smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000798858 551543263 /nfs/dbraw/zinc/54/32/63/551543263.db2.gz JWQBRODQDUIZCH-UHFFFAOYSA-N 0 0 527.990 2.273 40 0 KEABRN Cc1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000000835559 551546878 /nfs/dbraw/zinc/54/68/78/551546878.db2.gz OAHKOZZREUGBKO-DEOSSOPVSA-N 0 0 513.641 2.375 40 0 KEABRN COc1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000000835563 551546889 /nfs/dbraw/zinc/54/68/89/551546889.db2.gz XEUKIKFXTIEWEX-DEOSSOPVSA-N 0 0 529.640 2.075 40 0 KEABRN COc1ccc(CNS(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccc(OC)cc4)n3)cc2)cc1 ZINC000000882710 551556153 /nfs/dbraw/zinc/55/61/53/551556153.db2.gz OOIKHNOFCDBMJA-UHFFFAOYSA-N 0 0 508.560 2.475 40 0 KEABRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000000883616 551556181 /nfs/dbraw/zinc/55/61/81/551556181.db2.gz QIBBGKHSLLNBHY-IBGZPJMESA-N 0 0 525.635 2.379 40 0 KEABRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000000883619 551556138 /nfs/dbraw/zinc/55/61/38/551556138.db2.gz QIBBGKHSLLNBHY-LJQANCHMSA-N 0 0 525.635 2.379 40 0 KEABRN O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000883627 551556185 /nfs/dbraw/zinc/55/61/85/551556185.db2.gz ULWJWGMGWYVWNE-UHFFFAOYSA-N 0 0 525.635 2.426 40 0 KEABRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1 ZINC000000883755 551556149 /nfs/dbraw/zinc/55/61/49/551556149.db2.gz PVQQTHQWQMAJHB-UHFFFAOYSA-N 0 0 503.606 2.242 40 0 KEABRN COc1cccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)c1 ZINC000000883758 551556122 /nfs/dbraw/zinc/55/61/22/551556122.db2.gz CWQKYXZFAIUUFO-UHFFFAOYSA-N 0 0 503.606 2.242 40 0 KEABRN COc1ccccc1NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C ZINC000000883760 551556103 /nfs/dbraw/zinc/55/61/03/551556103.db2.gz WINFFPBTGCZJAB-UHFFFAOYSA-N 0 0 503.606 2.242 40 0 KEABRN CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1 ZINC000000883771 551556191 /nfs/dbraw/zinc/55/61/91/551556191.db2.gz AVCNLYGLWSWCOT-UHFFFAOYSA-N 0 0 516.649 2.300 40 0 KEABRN COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000000885975 551558089 /nfs/dbraw/zinc/55/80/89/551558089.db2.gz MKHDMTUWFJLEMR-NDEPHWFRSA-N 0 0 595.676 2.457 40 0 KEABRN COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000000885977 551558067 /nfs/dbraw/zinc/55/80/67/551558067.db2.gz MKHDMTUWFJLEMR-MUUNZHRXSA-N 0 0 595.676 2.457 40 0 KEABRN Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000000885981 551558534 /nfs/dbraw/zinc/55/85/34/551558534.db2.gz MBIFDXWWIQCGET-RUZDIDTESA-N 0 0 539.612 2.342 40 0 KEABRN Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)o1 ZINC000000886253 551558663 /nfs/dbraw/zinc/55/86/63/551558663.db2.gz JECUHRSXPRSNOT-QHCPKHFHSA-N 0 0 527.651 2.264 40 0 KEABRN Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)o1 ZINC000000886255 551558636 /nfs/dbraw/zinc/55/86/36/551558636.db2.gz JECUHRSXPRSNOT-HSZRJFAPSA-N 0 0 527.651 2.264 40 0 KEABRN Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccco3)n2)o1 ZINC000000887936 551560655 /nfs/dbraw/zinc/56/06/55/551560655.db2.gz WNDKOWPLBMIEJY-DEOSSOPVSA-N 0 0 525.610 2.186 40 0 KEABRN Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccco3)n2)o1 ZINC000000887938 551560570 /nfs/dbraw/zinc/56/05/70/551560570.db2.gz WNDKOWPLBMIEJY-XMMPIXPASA-N 0 0 525.610 2.186 40 0 KEABRN Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccc(C)o3)n2)o1 ZINC000000888380 551561787 /nfs/dbraw/zinc/56/17/87/551561787.db2.gz PRVYHZPJZWVGJM-VWLOTQADSA-N 0 0 539.637 2.494 40 0 KEABRN Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccc(C)o3)n2)o1 ZINC000000888383 551561783 /nfs/dbraw/zinc/56/17/83/551561783.db2.gz PRVYHZPJZWVGJM-RUZDIDTESA-N 0 0 539.637 2.494 40 0 KEABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000000888585 551562408 /nfs/dbraw/zinc/56/24/08/551562408.db2.gz CXAOHDHPDYAOPF-IMSXRSKXSA-N 0 0 526.569 2.425 40 0 KEABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)o1 ZINC000000888716 551562547 /nfs/dbraw/zinc/56/25/47/551562547.db2.gz CYYNJBDXZLPTFX-YCRNBWNJSA-N 0 0 512.567 2.187 40 0 KEABRN COC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C[C@@H]2CCCO2)c1 ZINC000000919281 551573551 /nfs/dbraw/zinc/57/35/51/551573551.db2.gz IFZSDWOMPZFLDX-SFHVURJKSA-N 0 0 500.529 2.413 40 0 KEABRN Cn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000922300 551576544 /nfs/dbraw/zinc/57/65/44/551576544.db2.gz GYNJKMCMNZEDEV-UHFFFAOYSA-N 0 0 516.601 2.249 40 0 KEABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000000927665 551580252 /nfs/dbraw/zinc/58/02/52/551580252.db2.gz AJTJFWOVBZMVTD-UHFFFAOYSA-N 0 0 506.519 2.017 40 0 KEABRN CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000000927681 551580270 /nfs/dbraw/zinc/58/02/70/551580270.db2.gz MOGCOKZQGQOCJL-UHFFFAOYSA-N 0 0 536.589 2.348 40 0 KEABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000000927875 551580687 /nfs/dbraw/zinc/58/06/87/551580687.db2.gz FAPBTPZVDUUPCQ-UHFFFAOYSA-N 0 0 506.519 2.017 40 0 KEABRN CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000000927891 551580600 /nfs/dbraw/zinc/58/06/00/551580600.db2.gz FMSUXIIPUZKFJV-UHFFFAOYSA-N 0 0 536.589 2.348 40 0 KEABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000000928109 551580560 /nfs/dbraw/zinc/58/05/60/551580560.db2.gz BWLJWCBTSIXIHJ-UHFFFAOYSA-N 0 0 520.546 2.408 40 0 KEABRN COc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)cc1OC ZINC000000930498 551581491 /nfs/dbraw/zinc/58/14/91/551581491.db2.gz HZQOYOYNPCITAE-UHFFFAOYSA-N 0 0 537.642 2.259 40 0 KEABRN Cc1ccc(Cn2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000930499 551581433 /nfs/dbraw/zinc/58/14/33/551581433.db2.gz RPVOQNUGDJMCCQ-UHFFFAOYSA-N 0 0 507.572 2.292 40 0 KEABRN COC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)cc1 ZINC000000930501 551581498 /nfs/dbraw/zinc/58/14/98/551581498.db2.gz KJWMKACMHSVYTE-UHFFFAOYSA-N 0 0 507.572 2.308 40 0 KEABRN CC(=O)Nc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)c1 ZINC000000930503 551581470 /nfs/dbraw/zinc/58/14/70/551581470.db2.gz YPJSRFDOQDJVJG-UHFFFAOYSA-N 0 0 506.588 2.480 40 0 KEABRN CC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)cc1 ZINC000000930504 551581488 /nfs/dbraw/zinc/58/14/88/551581488.db2.gz VZAXKRORNWEJQA-UHFFFAOYSA-N 0 0 506.588 2.480 40 0 KEABRN COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(NS(C)(=O)=O)cc1 ZINC000000930630 551581800 /nfs/dbraw/zinc/58/18/00/551581800.db2.gz XDYBZXGLWWAMEJ-UHFFFAOYSA-N 0 0 503.606 2.265 40 0 KEABRN Cn1c2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n(CC(=O)c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000001087837 291748279 /nfs/dbraw/zinc/74/82/79/291748279.db2.gz XNCRJDJXKFXHNE-UHFFFAOYSA-N 0 0 595.454 2.130 40 0 KEABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000001222147 551628018 /nfs/dbraw/zinc/62/80/18/551628018.db2.gz MOUBLZXICNFHFQ-GOSISDBHSA-N 0 0 514.556 2.456 40 0 KEABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000001222149 551627991 /nfs/dbraw/zinc/62/79/91/551627991.db2.gz MOUBLZXICNFHFQ-SFHVURJKSA-N 0 0 514.556 2.456 40 0 KEABRN COC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@H]2CCCO2)c1 ZINC000001222151 551628031 /nfs/dbraw/zinc/62/80/31/551628031.db2.gz DTGGVOSBBLATPL-LJQANCHMSA-N 0 0 514.556 2.456 40 0 KEABRN COC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@@H]2CCCO2)c1 ZINC000001222153 551628150 /nfs/dbraw/zinc/62/81/50/551628150.db2.gz DTGGVOSBBLATPL-IBGZPJMESA-N 0 0 514.556 2.456 40 0 KEABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@H]2CCCO2)cc1 ZINC000001222155 551628125 /nfs/dbraw/zinc/62/81/25/551628125.db2.gz BRVYNAXMLTUFCB-LJQANCHMSA-N 0 0 514.556 2.456 40 0 KEABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@@H]2CCCO2)cc1 ZINC000001222157 551628154 /nfs/dbraw/zinc/62/81/54/551628154.db2.gz BRVYNAXMLTUFCB-IBGZPJMESA-N 0 0 514.556 2.456 40 0 KEABRN COc1ccc(OC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c1 ZINC000001222961 551628483 /nfs/dbraw/zinc/62/84/83/551628483.db2.gz VIMDYYFTXBHZGU-UHFFFAOYSA-N 0 0 513.551 2.369 40 0 KEABRN COc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c(OC)c1 ZINC000001222962 551628439 /nfs/dbraw/zinc/62/84/39/551628439.db2.gz QLRCQZWHSTYPAB-UHFFFAOYSA-N 0 0 513.551 2.369 40 0 KEABRN COc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)cc1OC ZINC000001222963 551628511 /nfs/dbraw/zinc/62/85/11/551628511.db2.gz SKMCWOQXSMWUOO-UHFFFAOYSA-N 0 0 541.605 2.089 40 0 KEABRN Cn1c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000001222964 551628453 /nfs/dbraw/zinc/62/84/53/551628453.db2.gz LLKHADJDPZHXTN-UHFFFAOYSA-N 0 0 511.535 2.123 40 0 KEABRN CC(=O)Nc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c1 ZINC000001222970 551628498 /nfs/dbraw/zinc/62/84/98/551628498.db2.gz AQJRPPREWQDWFB-UHFFFAOYSA-N 0 0 510.551 2.310 40 0 KEABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001326950 551643411 /nfs/dbraw/zinc/64/34/11/551643411.db2.gz XRHAJYQMOSEYIC-UHFFFAOYSA-N 0 0 506.519 2.017 40 0 KEABRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000001333361 551644819 /nfs/dbraw/zinc/64/48/19/551644819.db2.gz OTGUDGSLKFQBNR-UHFFFAOYSA-N 0 0 531.612 2.495 40 0 KEABRN O=C(CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1 ZINC000001333367 551644961 /nfs/dbraw/zinc/64/49/61/551644961.db2.gz KJDBDWSNHWSGBJ-UHFFFAOYSA-N 0 0 573.649 2.266 40 0 KEABRN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1 ZINC000001333401 551644906 /nfs/dbraw/zinc/64/49/06/551644906.db2.gz YCTFKSKHNCFTAN-UHFFFAOYSA-N 0 0 519.601 2.130 40 0 KEABRN Cc1ccc2[nH]c(C3CCN(S(=O)(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)CC3)nc2c1 ZINC000001335132 551645296 /nfs/dbraw/zinc/64/52/96/551645296.db2.gz BNDZEXRBHWMLEB-UHFFFAOYSA-N 0 0 504.634 2.461 40 0 KEABRN O=C(Cn1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000001339623 551646329 /nfs/dbraw/zinc/64/63/29/551646329.db2.gz PYMCHKRTMDXLND-UHFFFAOYSA-N 0 0 503.494 2.309 40 0 KEABRN COc1ccccc1C(=O)Nc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1 ZINC000001339629 551646370 /nfs/dbraw/zinc/64/63/70/551646370.db2.gz AYLBICMRYTUFQE-UHFFFAOYSA-N 0 0 515.530 2.179 40 0 KEABRN COc1ccc(C(=O)Nc2ccc(-c3nnn(CC(=O)N4CCN(C(=O)c5ccco5)CC4)n3)cc2)cc1 ZINC000001339634 551646418 /nfs/dbraw/zinc/64/64/18/551646418.db2.gz RWXMNAXRYXFAAX-UHFFFAOYSA-N 0 0 515.530 2.179 40 0 KEABRN 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CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001373872 551652549 /nfs/dbraw/zinc/65/25/49/551652549.db2.gz LIHWGEBOARVXBP-UHFFFAOYSA-N 0 0 520.546 2.060 40 0 KEABRN CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001373880 551652441 /nfs/dbraw/zinc/65/24/41/551652441.db2.gz JTOUVRJPTRMTOR-UHFFFAOYSA-N 0 0 504.547 2.094 40 0 KEABRN CCOC(=O)Cn1nnnc1CN(Cc1ccccc1OC)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001373882 551652504 /nfs/dbraw/zinc/65/25/04/551652504.db2.gz GAKKHEVPZGIMSC-UHFFFAOYSA-N 0 0 520.546 2.060 40 0 KEABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374004 551653100 /nfs/dbraw/zinc/65/31/00/551653100.db2.gz OVDYCKXFYRQBHB-UHFFFAOYSA-N 0 0 504.547 2.360 40 0 KEABRN CO[C@]12c3c(C)cc(O)c4c(=O)occ(c43)C(=O)[C@@H]1[C@@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@@H]2[C@H]3OC(C)=O ZINC000001557747 551684362 /nfs/dbraw/zinc/68/43/62/551684362.db2.gz WBQDAYWQELBEPU-JSQINEQVSA-N 0 0 546.484 2.341 40 0 KEABRN 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Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000059852023 554449826 /nfs/dbraw/zinc/44/98/26/554449826.db2.gz JTBQMZUMYXQURD-UHFFFAOYSA-N 0 0 531.656 2.419 40 0 KEABRN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059852032 554449856 /nfs/dbraw/zinc/44/98/56/554449856.db2.gz GUFIGOMTSVXTKH-UHFFFAOYSA-N 0 0 573.693 2.190 40 0 KEABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059852041 554449918 /nfs/dbraw/zinc/44/99/18/554449918.db2.gz UMVMAXUEXNNIIJ-UHFFFAOYSA-N 0 0 585.704 2.463 40 0 KEABRN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000059852054 554449795 /nfs/dbraw/zinc/44/97/95/554449795.db2.gz VPCWTMRIKFAFNU-UHFFFAOYSA-N 0 0 529.640 2.479 40 0 KEABRN NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)cc1 ZINC000059852128 554450058 /nfs/dbraw/zinc/45/00/58/554450058.db2.gz OFMDIXRPZYCISK-UHFFFAOYSA-N 0 0 536.031 2.434 40 0 KEABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)cc1 ZINC000059852140 554450103 /nfs/dbraw/zinc/45/01/03/554450103.db2.gz RVFITLHVGCQBDK-UHFFFAOYSA-N 0 0 530.068 2.460 40 0 KEABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059852148 554450073 /nfs/dbraw/zinc/45/00/73/554450073.db2.gz YKPYKXTXDPBWAU-UHFFFAOYSA-N 0 0 572.105 2.231 40 0 KEABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059852165 554450076 /nfs/dbraw/zinc/45/00/76/554450076.db2.gz SHUVXPZVWGSDIW-UHFFFAOYSA-N 0 0 572.105 2.277 40 0 KEABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852178 554450395 /nfs/dbraw/zinc/45/03/95/554450395.db2.gz YSWPYQJFKURNGR-UHFFFAOYSA-N 0 0 572.105 2.231 40 0 KEABRN COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1 ZINC000059852186 554450484 /nfs/dbraw/zinc/45/04/84/554450484.db2.gz DWUJECHPNVSGJZ-UHFFFAOYSA-N 0 0 560.094 2.135 40 0 KEABRN 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COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)NCc1ccccc1 ZINC000059852308 554450618 /nfs/dbraw/zinc/45/06/18/554450618.db2.gz FYCFCSAVPYVFJG-UHFFFAOYSA-N 0 0 559.666 2.125 40 0 KEABRN COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000059852319 554451004 /nfs/dbraw/zinc/45/10/04/554451004.db2.gz DXCHPLNSZULGPK-UHFFFAOYSA-N 0 0 551.687 2.211 40 0 KEABRN COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000059852322 554450925 /nfs/dbraw/zinc/45/09/25/554450925.db2.gz SIPCUZTYIPUJQA-UHFFFAOYSA-N 0 0 531.656 2.397 40 0 KEABRN COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000059852331 554451050 /nfs/dbraw/zinc/45/10/50/554451050.db2.gz XKEDBUFPSNNIFC-UHFFFAOYSA-N 0 0 573.693 2.167 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000059852451 554451226 /nfs/dbraw/zinc/45/12/26/554451226.db2.gz YDFJRGKTQHSRGQ-UHFFFAOYSA-N 0 0 539.632 2.393 40 0 KEABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Cl)c1Cl ZINC000059882823 554459001 /nfs/dbraw/zinc/45/90/01/554459001.db2.gz CBWKLRUYOOAQND-UHFFFAOYSA-N 0 0 522.432 2.419 40 0 KEABRN O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000059885384 554464482 /nfs/dbraw/zinc/46/44/82/554464482.db2.gz JHLILQKVXPFSRZ-SANMLTNESA-N 0 0 572.684 2.238 40 0 KEABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000059888657 554471650 /nfs/dbraw/zinc/47/16/50/554471650.db2.gz BARMOMVCBGHEBA-UHFFFAOYSA-N 0 0 522.432 2.419 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000059923738 554474036 /nfs/dbraw/zinc/47/40/36/554474036.db2.gz FZJAAOLDOLBIAY-UHFFFAOYSA-N 0 0 544.051 2.406 40 0 KEABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000059930424 554479974 /nfs/dbraw/zinc/47/99/74/554479974.db2.gz VWKFLSGTIKLZAG-UHFFFAOYSA-N 0 0 528.967 2.182 40 0 KEABRN C[C@H](NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000059981353 554485067 /nfs/dbraw/zinc/48/50/67/554485067.db2.gz YNGSQCZPCOLUSX-ZDUSSCGKSA-N 0 0 536.413 2.338 40 0 KEABRN C[C@@H](NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000059981356 554485063 /nfs/dbraw/zinc/48/50/63/554485063.db2.gz YNGSQCZPCOLUSX-CYBMUJFWSA-N 0 0 536.413 2.338 40 0 KEABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000060018408 554489816 /nfs/dbraw/zinc/48/98/16/554489816.db2.gz FYKDDTGUJWQQTL-UHFFFAOYSA-N 0 0 581.454 2.391 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 ZINC000060028228 554491484 /nfs/dbraw/zinc/49/14/84/554491484.db2.gz WPXLGYMFGFTTQE-UHFFFAOYSA-N 0 0 551.687 2.205 40 0 KEABRN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1C(=O)N1CCOCC1 ZINC000060028293 554491984 /nfs/dbraw/zinc/49/19/84/554491984.db2.gz KBUWXRPKYKIGND-UHFFFAOYSA-N 0 0 532.600 2.164 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000060028498 554492986 /nfs/dbraw/zinc/49/29/86/554492986.db2.gz DWZHVTCIQASSFI-UHFFFAOYSA-N 0 0 537.660 2.284 40 0 KEABRN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000060028559 554493381 /nfs/dbraw/zinc/49/33/81/554493381.db2.gz LOROVJVKMCZXNM-QFIPXVFZSA-N 0 0 535.688 2.321 40 0 KEABRN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000060028560 554493526 /nfs/dbraw/zinc/49/35/26/554493526.db2.gz LOROVJVKMCZXNM-JOCHJYFZSA-N 0 0 535.688 2.321 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000060028703 554494789 /nfs/dbraw/zinc/49/47/89/554494789.db2.gz WQJJPMNRNOQPKA-UHFFFAOYSA-N 0 0 537.660 2.284 40 0 KEABRN COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000060028779 554495361 /nfs/dbraw/zinc/49/53/61/554495361.db2.gz OZNLXQLLCYDJPR-UHFFFAOYSA-N 0 0 555.650 2.036 40 0 KEABRN COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000060028861 554496379 /nfs/dbraw/zinc/49/63/79/554496379.db2.gz ILTUHPMMNHNRRO-UHFFFAOYSA-N 0 0 537.660 2.284 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000060060954 554501492 /nfs/dbraw/zinc/50/14/92/554501492.db2.gz VWTGTOXLSSSBIZ-INIZCTEOSA-N 0 0 539.632 2.044 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000060060956 554501324 /nfs/dbraw/zinc/50/13/24/554501324.db2.gz VWTGTOXLSSSBIZ-MRXNPFEDSA-N 0 0 539.632 2.044 40 0 KEABRN COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H](CC(N)=O)N[C@@]23c2cc(Br)ccc2NC3=O)c1 ZINC000064164943 554510755 /nfs/dbraw/zinc/51/07/55/554510755.db2.gz SQWAPGHVFYOHHN-OFERSUALSA-N 0 0 503.353 2.106 40 0 KEABRN CC(C)NC(=O)c1ccc2c(c1)n1c(=O)n(CC(=O)NC3CCCCC3)nc1n(Cc1ccccc1)c2=O ZINC000064581265 554512851 /nfs/dbraw/zinc/51/28/51/554512851.db2.gz PMMIQNGETQTBLM-UHFFFAOYSA-N 0 0 516.602 2.446 40 0 KEABRN CC[C@@H](C)NC(=O)Cn1nc2n(c1=O)c1cc(C(=O)NCC(C)C)ccc1c(=O)n2Cc1ccccc1 ZINC000064581280 554512832 /nfs/dbraw/zinc/51/28/32/554512832.db2.gz PXNIGGPNOOXZQW-GOSISDBHSA-N 0 0 504.591 2.160 40 0 KEABRN CC[C@H](C)NC(=O)Cn1nc2n(c1=O)c1cc(C(=O)NCC(C)C)ccc1c(=O)n2Cc1ccccc1 ZINC000064581281 554512888 /nfs/dbraw/zinc/51/28/88/554512888.db2.gz PXNIGGPNOOXZQW-SFHVURJKSA-N 0 0 504.591 2.160 40 0 KEABRN CC(C)CNC(=O)c1ccc2c(c1)n1c(=O)n(CC(=O)NC3CCCC3)nc1n(Cc1ccccc1)c2=O ZINC000064581282 554512881 /nfs/dbraw/zinc/51/28/81/554512881.db2.gz AYCRRXHIPKXYLY-UHFFFAOYSA-N 0 0 516.602 2.304 40 0 KEABRN CC(C)CNC(=O)c1ccc2c(c1)n1c(=O)n(CC(=O)NC(C)(C)C)nc1n(Cc1ccccc1)c2=O ZINC000064581284 554512815 /nfs/dbraw/zinc/51/28/15/554512815.db2.gz SCNZVBOCSWGAGT-UHFFFAOYSA-N 0 0 504.591 2.160 40 0 KEABRN Cc1ccc(Cn2c3nn(CC(=O)NC(C)C)c(=O)n3c3cc(C(=O)NCC(C)C)ccc3c2=O)cc1 ZINC000064581291 554512855 /nfs/dbraw/zinc/51/28/55/554512855.db2.gz KTFBODFCPNGYGZ-UHFFFAOYSA-N 0 0 504.591 2.078 40 0 KEABRN CC(=O)OC[C@@H]1O[C@H](n2cnc3c2nc(N)nc3Sc2ccc(C)cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000065734259 1066440107 /nfs/dbraw/zinc/44/01/07/1066440107.db2.gz VJKAWCGXGIQVPS-VGYLUTEMSA-N 0 0 515.548 2.192 40 0 KEABRN CC(=O)OC[C@@H]1O[C@H](n2cnc3c2nc(N)nc3Sc2ccc(C)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000065734262 1066440182 /nfs/dbraw/zinc/44/01/82/1066440182.db2.gz VJKAWCGXGIQVPS-ZBPHCFQXSA-N 0 0 515.548 2.192 40 0 KEABRN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)O[C@H]2OCCN1CCOCC1 ZINC000067665231 554533576 /nfs/dbraw/zinc/53/35/76/554533576.db2.gz XKAOBWLSKUSFOB-WYKIZHIZSA-N 0 0 562.660 2.371 40 0 in-vitro KEABRN O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1F ZINC000067890434 554534879 /nfs/dbraw/zinc/53/48/79/554534879.db2.gz NYDXBJOHDBCTDE-CLAROIROSA-N 0 0 530.494 2.417 40 0 biogenic,in-vitro KEABRN COc1cccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000067890439 291747041 /nfs/dbraw/zinc/74/70/41/291747041.db2.gz UTSIBFRIZDPOPS-WZYRSQIMSA-N 0 0 524.540 2.147 40 0 biogenic,in-vitro KEABRN COc1cc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1 ZINC000067890441 291745224 /nfs/dbraw/zinc/74/52/24/291745224.db2.gz UTCNRRSBGPZJGD-NAVOZUGXSA-N 0 0 554.566 2.156 40 0 biogenic,in-vitro KEABRN O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc(O)ccc1Cl ZINC000067890449 554535041 /nfs/dbraw/zinc/53/50/41/554535041.db2.gz XXIKGQHUGFOHCC-CLAROIROSA-N 0 0 529.943 2.106 40 0 biogenic,in-vitro KEABRN COc1ccc(Cl)c(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000067890450 554535008 /nfs/dbraw/zinc/53/50/08/554535008.db2.gz NKRAQZCOKKPXGE-WZYRSQIMSA-N 0 0 543.970 2.409 40 0 biogenic,in-vitro KEABRN CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](n4nnnc4-c4ccc(CN5CCOCC5)cc4)CO[C@H]23)cc1 ZINC000067899004 554535554 /nfs/dbraw/zinc/53/55/54/554535554.db2.gz YQWHEGDPSKPTFA-ZYQDXHPFSA-N 0 0 534.573 2.331 40 0 biogenic,in-vitro KEABRN 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COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000100377783 554360967 /nfs/dbraw/zinc/36/09/67/554360967.db2.gz ICSZYYFFURIJJP-HHHXNRCGSA-N 0 0 616.675 2.390 40 0 KEABRN Cc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[nH]3)CC2)ccc1-n1cnnn1 ZINC000100445723 554393971 /nfs/dbraw/zinc/39/39/71/554393971.db2.gz NJBOTLIRLKMWRB-UHFFFAOYSA-N 0 0 567.035 2.481 40 0 KEABRN COc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[nH]3)CC2)ccc1-n1cnnn1 ZINC000100445730 554393957 /nfs/dbraw/zinc/39/39/57/554393957.db2.gz FQZSJWJBPHWPCM-UHFFFAOYSA-N 0 0 583.034 2.181 40 0 KEABRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[nH]3)CC2)cc1 ZINC000100445740 554393969 /nfs/dbraw/zinc/39/39/69/554393969.db2.gz ISATWIZJPDBVGY-UHFFFAOYSA-N 0 0 592.103 2.447 40 0 KEABRN Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(-n5cnnn5)c(C)c4)CC2)[nH]c3=O)c1 ZINC000100445836 554393984 /nfs/dbraw/zinc/39/39/84/554393984.db2.gz YZKZJMVXCLRTPM-UHFFFAOYSA-N 0 0 560.644 2.444 40 0 KEABRN COc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4cc(C)ccc4C)c(=O)[nH]3)CC2)ccc1-n1cnnn1 ZINC000100445841 554394253 /nfs/dbraw/zinc/39/42/53/554394253.db2.gz GFZTVYDZQLNGTO-UHFFFAOYSA-N 0 0 576.643 2.145 40 0 KEABRN Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(S(=O)(=O)N5CCOCC5)cc4)CC2)[nH]c3=O)c1 ZINC000100445856 554394317 /nfs/dbraw/zinc/39/43/17/554394317.db2.gz BEESZPRNOGHHHO-UHFFFAOYSA-N 0 0 627.749 2.181 40 0 KEABRN Cc1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(-n5cnnn5)c(C)c4)CC2)[nH]c3=O)cc1 ZINC000100445915 554394409 /nfs/dbraw/zinc/39/44/09/554394409.db2.gz HPNHFKNWCOCNGP-UHFFFAOYSA-N 0 0 546.617 2.136 40 0 KEABRN Cc1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(S(=O)(=O)N(C)C)cc4)CC2)[nH]c3=O)cc1 ZINC000100445941 554394334 /nfs/dbraw/zinc/39/43/34/554394334.db2.gz QPRKYYDTAHKQCL-UHFFFAOYSA-N 0 0 571.685 2.102 40 0 KEABRN CCOc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)CC2)c(OCC)cc1-n1cnnn1 ZINC000100446131 554394239 /nfs/dbraw/zinc/39/42/39/554394239.db2.gz FRGLPEXSBAMGER-UHFFFAOYSA-N 0 0 624.659 2.456 40 0 KEABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000100446136 554394248 /nfs/dbraw/zinc/39/42/48/554394248.db2.gz TVSVZHCUASTXRM-UHFFFAOYSA-N 0 0 601.686 2.467 40 0 KEABRN Cc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[nH]3)CC2)ccc1-n1cnnn1 ZINC000100446251 554394670 /nfs/dbraw/zinc/39/46/70/554394670.db2.gz OTLVDPKIYAWLNF-UHFFFAOYSA-N 0 0 567.035 2.481 40 0 KEABRN COc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[nH]3)CC2)ccc1-n1cnnn1 ZINC000100446257 554394533 /nfs/dbraw/zinc/39/45/33/554394533.db2.gz RMRCTEPMRZWPQH-UHFFFAOYSA-N 0 0 583.034 2.181 40 0 KEABRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[nH]3)CC2)cc1 ZINC000100446268 554394580 /nfs/dbraw/zinc/39/45/80/554394580.db2.gz XFIXFPVUVOTIQF-UHFFFAOYSA-N 0 0 592.103 2.447 40 0 KEABRN CCOc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4)c(=O)[nH]3)CC2)c(OCC)cc1-n1cnnn1 ZINC000100446580 554394692 /nfs/dbraw/zinc/39/46/92/554394692.db2.gz CQNXAHPRLGJEDZ-UHFFFAOYSA-N 0 0 606.669 2.317 40 0 KEABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)nc2c1nnn2Cc1ccccc1 ZINC000100446584 554394619 /nfs/dbraw/zinc/39/46/19/554394619.db2.gz ISXGBLIATJFSSI-UHFFFAOYSA-N 0 0 583.696 2.328 40 0 KEABRN COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)C1 ZINC000100447294 554394989 /nfs/dbraw/zinc/39/49/89/554394989.db2.gz FPSYHTWRYXWXHS-INIZCTEOSA-N 0 0 526.550 2.469 40 0 KEABRN COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)C1 ZINC000100447301 554395107 /nfs/dbraw/zinc/39/51/07/554395107.db2.gz FPSYHTWRYXWXHS-MRXNPFEDSA-N 0 0 526.550 2.469 40 0 KEABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c(OC)c1 ZINC000100451924 554395701 /nfs/dbraw/zinc/39/57/01/554395701.db2.gz NZZIIESMLVXBCO-QFIPXVFZSA-N 0 0 543.617 2.198 40 0 KEABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c(OC)c1 ZINC000100451925 554395673 /nfs/dbraw/zinc/39/56/73/554395673.db2.gz NZZIIESMLVXBCO-JOCHJYFZSA-N 0 0 543.617 2.198 40 0 KEABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC ZINC000100451992 554395676 /nfs/dbraw/zinc/39/56/76/554395676.db2.gz ZPVOPCYTYGSLDM-NRFANRHFSA-N 0 0 543.617 2.198 40 0 KEABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC ZINC000100451995 554395668 /nfs/dbraw/zinc/39/56/68/554395668.db2.gz ZPVOPCYTYGSLDM-OAQYLSRUSA-N 0 0 543.617 2.198 40 0 KEABRN COC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)CC2)cc1 ZINC000100467237 554398051 /nfs/dbraw/zinc/39/80/51/554398051.db2.gz AIESRHRNWHSVAH-UHFFFAOYSA-N 0 0 526.550 2.469 40 0 KEABRN CCOc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4cccc(F)c4)c(=O)[nH]3)CC2)c(OCC)cc1-n1cnnn1 ZINC000100471664 554399118 /nfs/dbraw/zinc/39/91/18/554399118.db2.gz BDKJOHJGJVYAJP-UHFFFAOYSA-N 0 0 624.659 2.456 40 0 KEABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)nc2c1nnn2Cc1cccc(F)c1 ZINC000100471711 554399129 /nfs/dbraw/zinc/39/91/29/554399129.db2.gz CQKANVSYRMFBLB-UHFFFAOYSA-N 0 0 601.686 2.467 40 0 KEABRN COc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4c(F)cccc4Cl)c(=O)[nH]3)CC2)ccc1-n1cnnn1 ZINC000100471776 554399196 /nfs/dbraw/zinc/39/91/96/554399196.db2.gz WIPFLFUABMPQGJ-UHFFFAOYSA-N 0 0 601.024 2.320 40 0 KEABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1OC ZINC000100471850 554399159 /nfs/dbraw/zinc/39/91/59/554399159.db2.gz DIEUTOQFTGFDQE-NRFANRHFSA-N 0 0 543.617 2.198 40 0 KEABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1OC ZINC000100471855 554399190 /nfs/dbraw/zinc/39/91/90/554399190.db2.gz DIEUTOQFTGFDQE-OAQYLSRUSA-N 0 0 543.617 2.198 40 0 KEABRN COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000100471913 554399189 /nfs/dbraw/zinc/39/91/89/554399189.db2.gz GALNMQWZYSKOKF-QFIPXVFZSA-N 0 0 543.617 2.198 40 0 KEABRN COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000100471915 554399199 /nfs/dbraw/zinc/39/91/99/554399199.db2.gz GALNMQWZYSKOKF-JOCHJYFZSA-N 0 0 543.617 2.198 40 0 KEABRN CC[C@@H](CCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 ZINC000100504298 554407277 /nfs/dbraw/zinc/40/72/77/554407277.db2.gz PWKRIVHAEAYCHH-AAYNYZJGSA-N 0 0 561.749 2.235 40 0 in-vitro KEABRN CC[C@H](CCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 ZINC000100504302 554407342 /nfs/dbraw/zinc/40/73/42/554407342.db2.gz PWKRIVHAEAYCHH-VCIVZNJGSA-N 0 0 561.749 2.235 40 0 in-vitro KEABRN COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cccc(I)c3)c(=O)n12 ZINC000100574225 554422430 /nfs/dbraw/zinc/42/24/30/554422430.db2.gz DASNBTKJDYFXCB-PTLRMSDHSA-N 0 0 532.359 2.464 40 0 KEABRN COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cccc(I)c3)c(=O)n12 ZINC000100574230 554422493 /nfs/dbraw/zinc/42/24/93/554422493.db2.gz DASNBTKJDYFXCB-QTMFMZSGSA-N 0 0 532.359 2.464 40 0 KEABRN CO[C@@]1(N)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@H]21 ZINC000100620396 554434324 /nfs/dbraw/zinc/43/43/24/554434324.db2.gz QGXKMJVEULWQSB-UPVQGACJSA-N 0 0 524.628 2.106 40 0 KEABRN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)ccc2-3)C[C@@H](C)O1 ZINC000100702898 554452550 /nfs/dbraw/zinc/45/25/50/554452550.db2.gz DHBIPMQGIAFGHM-BRSBDYLESA-N 0 0 534.656 2.494 40 0 KEABRN CC1=C[C@H]2O[C@@H]3C[C@@H]4OC(=O)/C=C\C=C/[C@H]([C@@H](C)O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1 ZINC000100794144 554473558 /nfs/dbraw/zinc/47/35/58/554473558.db2.gz NSFWWJIQIKBZMJ-JMUUPMFVSA-N 0 0 532.630 2.393 40 0 KEABRN COC(=O)CCC[C@H]1[C@H]2SC[C@H](NC(=O)c3ccccc3)[C@]2(O)[C@@]2(NC(=O)c3ccccc3)CS[C@@H]1C2=O ZINC000100861792 554495813 /nfs/dbraw/zinc/49/58/13/554495813.db2.gz KRLFWXIDUTYSLM-WHGULKKLSA-N 0 0 554.690 2.458 40 0 KEABRN COC(=O)CCC[C@@H]1[C@H]2SC[C@H](NC(=O)c3ccccc3)[C@]2(O)[C@@]2(NC(=O)c3ccccc3)CS[C@@H]1C2=O ZINC000100861795 554495780 /nfs/dbraw/zinc/49/57/80/554495780.db2.gz KRLFWXIDUTYSLM-OZIHNNHMSA-N 0 0 554.690 2.458 40 0 KEABRN CCCCOCCOCCOCCOCCOC[C@@H](O)COCCOCCOCCOCCCC ZINC000100925315 554523656 /nfs/dbraw/zinc/52/36/56/554523656.db2.gz BRRJWFQCONDZRA-VWLOTQADSA-N 0 0 512.681 2.097 40 0 KEABRN Cc1cc(SCC(=O)N2CCN(c3ccccn3)CC2)nc(SCC(=O)N2CCN(c3ccccn3)CC2)n1 ZINC000100928057 554525278 /nfs/dbraw/zinc/52/52/78/554525278.db2.gz KDEHSDZAPDBNRO-UHFFFAOYSA-N 0 0 564.741 2.457 40 0 KEABRN O=C1c2ccccc2S(=O)(=O)N1CSc1nnc(SCN2C(=O)c3ccccc3S2(=O)=O)s1 ZINC000100954979 554538960 /nfs/dbraw/zinc/53/89/60/554538960.db2.gz DMAWMIPCWYHTPW-UHFFFAOYSA-N 0 0 540.651 2.327 40 0 KEABRN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCCN(C[C@H](O)COc2ccc(C(C)=O)cc2OC)CC1 ZINC000101104664 554639756 /nfs/dbraw/zinc/63/97/56/554639756.db2.gz XQBHOCOOEORSOP-PLQXJYEYSA-N 0 0 544.645 2.296 40 0 KEABRN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCCN(C[C@H](O)COc2ccc(C(C)=O)cc2OC)CC1 ZINC000101104667 554639735 /nfs/dbraw/zinc/63/97/35/554639735.db2.gz 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554654732 /nfs/dbraw/zinc/65/47/32/554654732.db2.gz MKELBSQJIDHHTG-VWLOTQADSA-N 0 0 543.573 2.007 40 0 KEABRN Cc1cccc(OCC(=O)N2CCN(C(=O)[C@H](NC(=O)c3ccco3)S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000101142760 554654753 /nfs/dbraw/zinc/65/47/53/554654753.db2.gz MKELBSQJIDHHTG-RUZDIDTESA-N 0 0 543.573 2.007 40 0 KEABRN COc1cccc(C(=O)N2CCN(C(=O)[C@@H](NC(=O)c3ccco3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000101142828 554654716 /nfs/dbraw/zinc/65/47/16/554654716.db2.gz CYURTXVQRRWVHW-QHCPKHFHSA-N 0 0 546.001 2.456 40 0 KEABRN COc1cccc(C(=O)N2CCN(C(=O)[C@H](NC(=O)c3ccco3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000101142830 554654738 /nfs/dbraw/zinc/65/47/38/554654738.db2.gz CYURTXVQRRWVHW-HSZRJFAPSA-N 0 0 546.001 2.456 40 0 KEABRN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)COc3ccccc3F)CC2)cc1 ZINC000101142918 554654960 /nfs/dbraw/zinc/65/49/60/554654960.db2.gz OKZCPESQLPDUEU-VWLOTQADSA-N 0 0 543.573 2.007 40 0 KEABRN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)COc3ccccc3F)CC2)cc1 ZINC000101142919 554655054 /nfs/dbraw/zinc/65/50/54/554655054.db2.gz OKZCPESQLPDUEU-RUZDIDTESA-N 0 0 543.573 2.007 40 0 KEABRN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)COc3cccc(C)c3)CC2)cc1 ZINC000101143010 554654964 /nfs/dbraw/zinc/65/49/64/554654964.db2.gz FPCOMZIMPUCXGV-SANMLTNESA-N 0 0 539.610 2.176 40 0 KEABRN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)COc3cccc(C)c3)CC2)cc1 ZINC000101143013 554655016 /nfs/dbraw/zinc/65/50/16/554655016.db2.gz FPCOMZIMPUCXGV-AREMUKBSSA-N 0 0 539.610 2.176 40 0 KEABRN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)COc3ccccc3C)CC2)cc1 ZINC000101143030 554655019 /nfs/dbraw/zinc/65/50/19/554655019.db2.gz MWXBTSIDSUZXDW-SANMLTNESA-N 0 0 539.610 2.176 40 0 KEABRN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)COc3ccccc3C)CC2)cc1 ZINC000101143034 554654955 /nfs/dbraw/zinc/65/49/55/554654955.db2.gz MWXBTSIDSUZXDW-AREMUKBSSA-N 0 0 539.610 2.176 40 0 KEABRN CCOc1ccc(C(=O)N2CCN(C(=O)[C@@H](NC(=O)c3ccco3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000101143044 554655066 /nfs/dbraw/zinc/65/50/66/554655066.db2.gz XRDHDYDPZIVBGE-DEOSSOPVSA-N 0 0 543.573 2.332 40 0 KEABRN CCOc1ccc(C(=O)N2CCN(C(=O)[C@H](NC(=O)c3ccco3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000101143047 554654998 /nfs/dbraw/zinc/65/49/98/554654998.db2.gz XRDHDYDPZIVBGE-XMMPIXPASA-N 0 0 543.573 2.332 40 0 KEABRN COc1ccc(C(=O)N2CCN(C(=O)[C@@H](NC(=O)c3ccco3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000101143164 554655189 /nfs/dbraw/zinc/65/51/89/554655189.db2.gz OFAQDCZDMVCUSN-QHCPKHFHSA-N 0 0 546.001 2.456 40 0 KEABRN COc1ccc(C(=O)N2CCN(C(=O)[C@H](NC(=O)c3ccco3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000101143167 554655201 /nfs/dbraw/zinc/65/52/01/554655201.db2.gz OFAQDCZDMVCUSN-HSZRJFAPSA-N 0 0 546.001 2.456 40 0 KEABRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)CCCC2 ZINC000101170404 554661507 /nfs/dbraw/zinc/66/15/07/554661507.db2.gz VBXTZRIJUOTCTN-WMQCIHAUSA-N 0 0 541.575 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CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223011643 193942601 /nfs/dbraw/zinc/94/26/01/193942601.db2.gz CVJZMYRQMABYDO-AWEZNQCLSA-N 0 0 508.394 2.147 40 0 KEABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223013469 571421700 /nfs/dbraw/zinc/42/17/00/571421700.db2.gz GNMWNGDFKZEQCZ-OAHLLOKOSA-N 0 0 540.436 2.497 40 0 KEABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223013534 571421763 /nfs/dbraw/zinc/42/17/63/571421763.db2.gz GNMWNGDFKZEQCZ-HNNXBMFYSA-N 0 0 540.436 2.497 40 0 KEABRN CS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000223020406 571422514 /nfs/dbraw/zinc/42/25/14/571422514.db2.gz YRLTXKHOQAKZNZ-QFIPXVFZSA-N 0 0 501.586 2.331 40 0 KEABRN CS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 ZINC000223020509 571422541 /nfs/dbraw/zinc/42/25/41/571422541.db2.gz XAYMPYNIEMYSEP-QHCPKHFHSA-N 0 0 515.613 2.373 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000223032279 571423617 /nfs/dbraw/zinc/42/36/17/571423617.db2.gz DRFQTWMXODGXJE-UHFFFAOYSA-N 0 0 535.688 2.336 40 0 KEABRN CC(C)OCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000223043906 571425258 /nfs/dbraw/zinc/42/52/58/571425258.db2.gz FVNYQZQPIZNLAP-XMMPIXPASA-N 0 0 503.665 2.449 40 0 KEABRN CC(C)OCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000223043968 571425247 /nfs/dbraw/zinc/42/52/47/571425247.db2.gz FVNYQZQPIZNLAP-DEOSSOPVSA-N 0 0 503.665 2.449 40 0 KEABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223045173 571425407 /nfs/dbraw/zinc/42/54/07/571425407.db2.gz GUSRHQFSUSOCQZ-NRFANRHFSA-N 0 0 503.621 2.476 40 0 KEABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223045230 571425397 /nfs/dbraw/zinc/42/53/97/571425397.db2.gz GUSRHQFSUSOCQZ-OAQYLSRUSA-N 0 0 503.621 2.476 40 0 KEABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223060076 571426942 /nfs/dbraw/zinc/42/69/42/571426942.db2.gz WOLAFAUOZMRNOX-CQSZACIVSA-N 0 0 508.394 2.147 40 0 KEABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223060133 571426939 /nfs/dbraw/zinc/42/69/39/571426939.db2.gz WOLAFAUOZMRNOX-AWEZNQCLSA-N 0 0 508.394 2.147 40 0 KEABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223061966 571427002 /nfs/dbraw/zinc/42/70/02/571427002.db2.gz ZSRLGCGYFMXLKV-OAHLLOKOSA-N 0 0 540.436 2.497 40 0 KEABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223062033 571427040 /nfs/dbraw/zinc/42/70/40/571427040.db2.gz ZSRLGCGYFMXLKV-HNNXBMFYSA-N 0 0 540.436 2.497 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000223065249 571427259 /nfs/dbraw/zinc/42/72/59/571427259.db2.gz JEYLNPJNFPUKSO-UHFFFAOYSA-N 0 0 529.612 2.040 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000223077877 571428748 /nfs/dbraw/zinc/42/87/48/571428748.db2.gz MTBOJOUNWHJLGT-UHFFFAOYSA-N 0 0 514.604 2.085 40 0 KEABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO ZINC000223078641 571428807 /nfs/dbraw/zinc/42/88/07/571428807.db2.gz YOBOGAHTZPZXBY-NDEPHWFRSA-N 0 0 616.136 2.488 40 0 KEABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCO ZINC000223078696 571428821 /nfs/dbraw/zinc/42/88/21/571428821.db2.gz YOBOGAHTZPZXBY-MUUNZHRXSA-N 0 0 616.136 2.488 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223089672 571429918 /nfs/dbraw/zinc/42/99/18/571429918.db2.gz AQNMFZIYZZDAGG-UHFFFAOYSA-N 0 0 551.687 2.462 40 0 KEABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC ZINC000223090480 571430116 /nfs/dbraw/zinc/43/01/16/571430116.db2.gz IFMHDIBRVACXOS-UHFFFAOYSA-N 0 0 513.638 2.212 40 0 KEABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223091447 571430098 /nfs/dbraw/zinc/43/00/98/571430098.db2.gz ATSLBSADXRDDDP-NRFANRHFSA-N 0 0 503.621 2.476 40 0 KEABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223091499 571430083 /nfs/dbraw/zinc/43/00/83/571430083.db2.gz ATSLBSADXRDDDP-OAQYLSRUSA-N 0 0 503.621 2.476 40 0 KEABRN COc1ccc(-c2noc(CNC(=O)CCc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)n2)cc1 ZINC000223108283 571432157 /nfs/dbraw/zinc/43/21/57/571432157.db2.gz CWULTAVBAJXBKI-UHFFFAOYSA-N 0 0 516.576 2.024 40 0 KEABRN COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223115209 571433095 /nfs/dbraw/zinc/43/30/95/571433095.db2.gz PSFIMTPXDJMIPC-JOCHJYFZSA-N 0 0 510.056 2.324 40 0 KEABRN COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223115270 571433075 /nfs/dbraw/zinc/43/30/75/571433075.db2.gz PSFIMTPXDJMIPC-QFIPXVFZSA-N 0 0 510.056 2.324 40 0 KEABRN CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O ZINC000223116356 571433246 /nfs/dbraw/zinc/43/32/46/571433246.db2.gz AAJZDALOYBGUOV-GOTSBHOMSA-N 0 0 522.067 2.467 40 0 KEABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223133770 571434762 /nfs/dbraw/zinc/43/47/62/571434762.db2.gz GSROHUFEHUNPCE-IBGZPJMESA-N 0 0 510.012 2.431 40 0 KEABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223133825 571434809 /nfs/dbraw/zinc/43/48/09/571434809.db2.gz GSROHUFEHUNPCE-LJQANCHMSA-N 0 0 510.012 2.431 40 0 KEABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCO ZINC000223150092 571436777 /nfs/dbraw/zinc/43/67/77/571436777.db2.gz POSPJYYIPOMWSZ-LJAQVGFWSA-N 0 0 613.708 2.364 40 0 KEABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCCO ZINC000223150148 571436831 /nfs/dbraw/zinc/43/68/31/571436831.db2.gz POSPJYYIPOMWSZ-GDLZYMKVSA-N 0 0 613.708 2.364 40 0 KEABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000223153514 571437259 /nfs/dbraw/zinc/43/72/59/571437259.db2.gz YUWSGGTZICCWAY-YTTGMZPUSA-N 0 0 668.788 2.314 40 0 KEABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000223153569 571437322 /nfs/dbraw/zinc/43/73/22/571437322.db2.gz YUWSGGTZICCWAY-JGCGQSQUSA-N 0 0 668.788 2.314 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000223153897 571437315 /nfs/dbraw/zinc/43/73/15/571437315.db2.gz CQBINVYHTSJGBI-UHFFFAOYSA-N 0 0 551.687 2.462 40 0 KEABRN CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO)Cc1ccccc1 ZINC000223154563 571437394 /nfs/dbraw/zinc/43/73/94/571437394.db2.gz BBJCPWLPPSCJKH-SANMLTNESA-N 0 0 541.645 2.336 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223161763 571438800 /nfs/dbraw/zinc/43/88/00/571438800.db2.gz BJJCMXIWLZODOY-UHFFFAOYSA-N 0 0 541.648 2.146 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223163988 571439150 /nfs/dbraw/zinc/43/91/50/571439150.db2.gz ZNNZXBCMNLKUII-UHFFFAOYSA-N 0 0 537.660 2.072 40 0 KEABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC ZINC000223175872 571441083 /nfs/dbraw/zinc/44/10/83/571441083.db2.gz LQWJBHFZZDWYPG-UHFFFAOYSA-N 0 0 525.649 2.310 40 0 KEABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223177891 571441282 /nfs/dbraw/zinc/44/12/82/571441282.db2.gz YRWJKFXBMBCXEI-IBGZPJMESA-N 0 0 510.012 2.431 40 0 KEABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223177943 571441245 /nfs/dbraw/zinc/44/12/45/571441245.db2.gz YRWJKFXBMBCXEI-LJQANCHMSA-N 0 0 510.012 2.431 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000223180740 571441525 /nfs/dbraw/zinc/44/15/25/571441525.db2.gz FSHDRVMURINCDU-UHFFFAOYSA-N 0 0 581.713 2.471 40 0 KEABRN CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1)S(C)(=O)=O ZINC000223186994 571442492 /nfs/dbraw/zinc/44/24/92/571442492.db2.gz CCIOJTPPFGCCDL-DEOSSOPVSA-N 0 0 512.607 2.368 40 0 KEABRN CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)S(C)(=O)=O ZINC000223187074 571442508 /nfs/dbraw/zinc/44/25/08/571442508.db2.gz FNYDOYHEJLPHSM-DEOSSOPVSA-N 0 0 512.607 2.368 40 0 KEABRN CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1)S(C)(=O)=O ZINC000223187152 571442475 /nfs/dbraw/zinc/44/24/75/571442475.db2.gz NCMRSRWCSXLKEE-DEOSSOPVSA-N 0 0 512.607 2.368 40 0 KEABRN CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223187329 571442505 /nfs/dbraw/zinc/44/25/05/571442505.db2.gz WEHZQMGZASNWJT-HSZRJFAPSA-N 0 0 507.628 2.200 40 0 KEABRN CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223187386 571442459 /nfs/dbraw/zinc/44/24/59/571442459.db2.gz WEHZQMGZASNWJT-QHCPKHFHSA-N 0 0 507.628 2.200 40 0 KEABRN 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KEABRN COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223221593 571447095 /nfs/dbraw/zinc/44/70/95/571447095.db2.gz XDHIVTULXZZGKI-SSEXGKCCSA-N 0 0 625.744 2.498 40 0 KEABRN COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223221658 571447143 /nfs/dbraw/zinc/44/71/43/571447143.db2.gz XDHIVTULXZZGKI-PMERELPUSA-N 0 0 625.744 2.498 40 0 KEABRN COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1 ZINC000223224676 571447451 /nfs/dbraw/zinc/44/74/51/571447451.db2.gz RRCFFFJDLKLHKM-XIFFEERXSA-N 0 0 680.824 2.183 40 0 KEABRN COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1 ZINC000223224728 571447395 /nfs/dbraw/zinc/44/73/95/571447395.db2.gz RRCFFFJDLKLHKM-MGBGTMOVSA-N 0 0 680.824 2.183 40 0 KEABRN COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCCO)cc1 ZINC000223225696 571447426 /nfs/dbraw/zinc/44/74/26/571447426.db2.gz 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COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409198840 1066409123 /nfs/dbraw/zinc/40/91/23/1066409123.db2.gz FWKAKKVOVSDATK-QRVIBDJDSA-N 0 0 569.592 2.379 40 0 KEABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409199604 1066409158 /nfs/dbraw/zinc/40/91/58/1066409158.db2.gz PKJQMWFGZFEKCY-RJFKIUDMSA-N 0 0 565.648 2.460 40 0 KEABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409199608 1066409187 /nfs/dbraw/zinc/40/91/87/1066409187.db2.gz PKJQMWFGZFEKCY-WPUHHHFCSA-N 0 0 565.648 2.460 40 0 KEABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409200355 1066409199 /nfs/dbraw/zinc/40/91/99/1066409199.db2.gz KZGGTJHVSVOTPQ-GSERBOKHSA-N 0 0 511.987 2.316 40 0 KEABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409200359 1066409175 /nfs/dbraw/zinc/40/91/75/1066409175.db2.gz KZGGTJHVSVOTPQ-PSXBWXLBSA-N 0 0 511.987 2.316 40 0 KEABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCC(N)=O ZINC000409200875 1066409167 /nfs/dbraw/zinc/40/91/67/1066409167.db2.gz SPZKXYQMIMQYOS-HMAPJEAMSA-N 0 0 540.598 2.461 40 0 KEABRN O=C(CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409204227 1066409171 /nfs/dbraw/zinc/40/91/71/1066409171.db2.gz DQVUTWQJDMEWAT-LPYMAVHISA-N 0 0 539.566 2.370 40 0 KEABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCC(N)=O ZINC000409204852 1066409178 /nfs/dbraw/zinc/40/91/78/1066409178.db2.gz KMQXRRQDTRTZFJ-JMIUGGIZSA-N 0 0 513.528 2.396 40 0 KEABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)cc2)CC1 ZINC000409205851 1066409194 /nfs/dbraw/zinc/40/91/94/1066409194.db2.gz KSJOIHXNKGVOJQ-UHFFFAOYSA-N 0 0 534.631 2.405 40 0 KEABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCC(N)=O ZINC000409205959 1066409113 /nfs/dbraw/zinc/40/91/13/1066409113.db2.gz SDUKVJYPUOHYCH-JCMHNJIXSA-N 0 0 524.599 2.335 40 0 KEABRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1OC ZINC000409206369 1066409191 /nfs/dbraw/zinc/40/91/91/1066409191.db2.gz NLWHFWVQLAOWCT-UHFFFAOYSA-N 0 0 513.572 2.341 40 0 KEABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000409207323 1066409658 /nfs/dbraw/zinc/40/96/58/1066409658.db2.gz SGAHMFJAGMESIP-BLJGQIRFSA-N 0 0 535.622 2.370 40 0 KEABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000409207333 1066409599 /nfs/dbraw/zinc/40/95/99/1066409599.db2.gz SGAHMFJAGMESIP-MLJBDGAYSA-N 0 0 535.622 2.370 40 0 KEABRN O=C(COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1)N1CCOCC1 ZINC000409207392 1066409564 /nfs/dbraw/zinc/40/95/64/1066409564.db2.gz UAJBFBHJARXOFP-HKOYGPOVSA-N 0 0 550.637 2.309 40 0 KEABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCC(N)=O ZINC000409207550 1066409667 /nfs/dbraw/zinc/40/96/67/1066409667.db2.gz WPWFHYMRLWSMDE-HMAPJEAMSA-N 0 0 540.598 2.461 40 0 KEABRN COC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OC ZINC000409230563 1066410421 /nfs/dbraw/zinc/41/04/21/1066410421.db2.gz FMCZQNPDQTXZKY-CXUHLZMHSA-N 0 0 503.895 2.440 40 0 KEABRN COC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OC ZINC000409243468 1066410522 /nfs/dbraw/zinc/41/05/22/1066410522.db2.gz YWQWRNJZPBLVHI-CXUHLZMHSA-N 0 0 595.346 2.392 40 0 KEABRN O=C(CN1C(=O)N/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000409245834 1066410446 /nfs/dbraw/zinc/41/04/46/1066410446.db2.gz ZRMKDOHKOIGTSC-MOSHPQCFSA-N 0 0 543.374 2.218 40 0 KEABRN COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1I ZINC000409249348 1066410456 /nfs/dbraw/zinc/41/04/56/1066410456.db2.gz KHMOJUMGAAMTRS-MHWRWJLKSA-N 0 0 565.320 2.383 40 0 KEABRN NS(=O)(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2Cl)cc1 ZINC000409251749 1066410872 /nfs/dbraw/zinc/41/08/72/1066410872.db2.gz BIYIMYONLUVVBT-UHFFFAOYSA-N 0 0 509.993 2.483 40 0 KEABRN CCOc1cc(C(=S)N2CCN(CC)CC2)cc(I)c1OCC(=O)N1CCOCC1 ZINC000409255556 1066410779 /nfs/dbraw/zinc/41/07/79/1066410779.db2.gz LZWKHWUEDASJTJ-UHFFFAOYSA-N 0 0 547.459 2.241 40 0 KEABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000409262773 1066410847 /nfs/dbraw/zinc/41/08/47/1066410847.db2.gz HBRKIDNWZIMACW-AREMUKBSSA-N 0 0 620.775 2.420 40 0 KEABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000409262777 1066410978 /nfs/dbraw/zinc/41/09/78/1066410978.db2.gz HBRKIDNWZIMACW-SANMLTNESA-N 0 0 620.775 2.420 40 0 KEABRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409271549 1066410829 /nfs/dbraw/zinc/41/08/29/1066410829.db2.gz JXTKIUZLKXBVFE-STZFKDTASA-N 0 0 517.604 2.228 40 0 KEABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000409319958 1066410909 /nfs/dbraw/zinc/41/09/09/1066410909.db2.gz ACSRCVRPIKOXOG-AREMUKBSSA-N 0 0 618.759 2.174 40 0 KEABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000409319960 1066410927 /nfs/dbraw/zinc/41/09/27/1066410927.db2.gz ACSRCVRPIKOXOG-SANMLTNESA-N 0 0 618.759 2.174 40 0 KEABRN O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000409332462 1066411740 /nfs/dbraw/zinc/41/17/40/1066411740.db2.gz FLEHXMBXIQRSEF-HKUYNNGSSA-N 0 0 514.385 2.476 40 0 KEABRN O=C(NC[C@H]1CCCO1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000409332467 1066411719 /nfs/dbraw/zinc/41/17/19/1066411719.db2.gz FLEHXMBXIQRSEF-IEBWSBKVSA-N 0 0 514.385 2.476 40 0 KEABRN O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000409332468 1066411752 /nfs/dbraw/zinc/41/17/52/1066411752.db2.gz FLEHXMBXIQRSEF-MJGOQNOKSA-N 0 0 514.385 2.476 40 0 KEABRN O=C(NC[C@@H]1CCCO1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000409332469 1066411682 /nfs/dbraw/zinc/41/16/82/1066411682.db2.gz FLEHXMBXIQRSEF-PKOBYXMFSA-N 0 0 514.385 2.476 40 0 KEABRN Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)n2C)cc1 ZINC000409358102 1066411827 /nfs/dbraw/zinc/41/18/27/1066411827.db2.gz JVAAPOWRKXNHSH-UHFFFAOYSA-N 0 0 508.604 2.257 40 0 KEABRN CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000409360939 1066411727 /nfs/dbraw/zinc/41/17/27/1066411727.db2.gz PBICBPPBQDUHMV-UHFFFAOYSA-N 0 0 508.604 2.431 40 0 KEABRN Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1C ZINC000409364150 1066411837 /nfs/dbraw/zinc/41/18/37/1066411837.db2.gz VLNHAISQOGQGGS-UHFFFAOYSA-N 0 0 508.604 2.257 40 0 KEABRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000409367135 1066411664 /nfs/dbraw/zinc/41/16/64/1066411664.db2.gz GUAKZWQBLKWGEG-HNNXBMFYSA-N 0 0 510.410 2.189 40 0 KEABRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000409367136 1066213217 /nfs/dbraw/zinc/21/32/17/1066213217.db2.gz GUAKZWQBLKWGEG-OAHLLOKOSA-N 0 0 510.410 2.189 40 0 KEABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)c1 ZINC000409367331 1066412324 /nfs/dbraw/zinc/41/23/24/1066412324.db2.gz SALNJANTRDTPGC-UHFFFAOYSA-N 0 0 503.621 2.462 40 0 KEABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1 ZINC000409367356 1066412361 /nfs/dbraw/zinc/41/23/61/1066412361.db2.gz UMWRTBHQKVHGBL-UHFFFAOYSA-N 0 0 531.631 2.178 40 0 KEABRN O=C(CN1C(=O)N/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O)Nc1ccccc1F ZINC000409370001 1066213801 /nfs/dbraw/zinc/21/38/01/1066213801.db2.gz JCRWBOLWVGUPRV-UNOMPAQXSA-N 0 0 561.364 2.357 40 0 KEABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O ZINC000409371413 1066412411 /nfs/dbraw/zinc/41/24/11/1066412411.db2.gz WJUAXAXXXAYLPW-HMHNVIDESA-N 0 0 513.366 2.285 40 0 KEABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O ZINC000409371417 1066213821 /nfs/dbraw/zinc/21/38/21/1066213821.db2.gz WJUAXAXXXAYLPW-SEJMYLSOSA-N 0 0 513.366 2.285 40 0 KEABRN O=C(CN1C(=O)N/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O)Nc1ccccc1 ZINC000409372222 1066412293 /nfs/dbraw/zinc/41/22/93/1066412293.db2.gz YIOGLLURICXICJ-UYRXBGFRSA-N 0 0 543.374 2.218 40 0 KEABRN COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)cc1 ZINC000409375115 1066412445 /nfs/dbraw/zinc/41/24/45/1066412445.db2.gz FUZQQJAACVDMKP-MOSHPQCFSA-N 0 0 573.400 2.227 40 0 KEABRN O=C(CN1C(=O)N/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O)Nc1ccc(F)cc1 ZINC000409376106 1066412388 /nfs/dbraw/zinc/41/23/88/1066412388.db2.gz UNHPLNWGEJDSAN-UNOMPAQXSA-N 0 0 561.364 2.357 40 0 KEABRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O ZINC000409379038 1066213635 /nfs/dbraw/zinc/21/36/35/1066213635.db2.gz UORBTUFCUPFUTR-MHWRWJLKSA-N 0 0 513.366 2.286 40 0 KEABRN NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 ZINC000409385766 1066213899 /nfs/dbraw/zinc/21/38/99/1066213899.db2.gz ISRINCYKAJLHPS-CYBMUJFWSA-N 0 0 502.412 2.136 40 0 KEABRN NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 ZINC000409385769 1066412907 /nfs/dbraw/zinc/41/29/07/1066412907.db2.gz ISRINCYKAJLHPS-ZDUSSCGKSA-N 0 0 502.412 2.136 40 0 KEABRN CCOC(=O)CN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000409386294 1066413092 /nfs/dbraw/zinc/41/30/92/1066413092.db2.gz DUDWAFINDXVIIX-AYWGPLOBSA-N 0 0 531.590 2.078 40 0 KEABRN CCOC(=O)CN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000409386302 1066412934 /nfs/dbraw/zinc/41/29/34/1066412934.db2.gz DUDWAFINDXVIIX-ZHHPLPSFSA-N 0 0 531.590 2.078 40 0 KEABRN CCOC(=O)CN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000409386438 1066412986 /nfs/dbraw/zinc/41/29/86/1066412986.db2.gz FIOYFLFIHTUYSB-AYWGPLOBSA-N 0 0 549.580 2.217 40 0 KEABRN CCOC(=O)CN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000409386444 1066413052 /nfs/dbraw/zinc/41/30/52/1066413052.db2.gz FIOYFLFIHTUYSB-ZHHPLPSFSA-N 0 0 549.580 2.217 40 0 KEABRN CCOC(=O)CN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000409386795 1066412244 /nfs/dbraw/zinc/41/22/44/1066412244.db2.gz GKZYXXOXCYSBFO-IUKMQXEJSA-N 0 0 591.642 2.095 40 0 KEABRN CCOC(=O)CN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000409386799 1066412947 /nfs/dbraw/zinc/41/29/47/1066412947.db2.gz GKZYXXOXCYSBFO-NPJIAGGLSA-N 0 0 591.642 2.095 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1C ZINC000409387534 1066213952 /nfs/dbraw/zinc/21/39/52/1066213952.db2.gz BZADWCFKEFZKHE-NRFANRHFSA-N 0 0 515.632 2.477 40 0 KEABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1C ZINC000409387544 1066414407 /nfs/dbraw/zinc/41/44/07/1066414407.db2.gz BZADWCFKEFZKHE-OAQYLSRUSA-N 0 0 515.632 2.477 40 0 KEABRN CCOC(=O)CN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000409387626 1066414437 /nfs/dbraw/zinc/41/44/37/1066414437.db2.gz 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COCC(=O)N1CCN(Cc2cccc(OCCCN3CCCC3=O)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585281143 1066224183 /nfs/dbraw/zinc/22/41/83/1066224183.db2.gz WQMPVXHLKUJXPZ-GDLZYMKVSA-N 0 0 525.646 2.179 40 0 KEABRN COCC(=O)N1CCN(Cc2cccc(OCCCN3CCCC3=O)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585281151 1066224537 /nfs/dbraw/zinc/22/45/37/1066224537.db2.gz WQMPVXHLKUJXPZ-LJAQVGFWSA-N 0 0 525.646 2.179 40 0 KEABRN CC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585281156 1066224579 /nfs/dbraw/zinc/22/45/79/1066224579.db2.gz WWHWOOUANPSUDO-GDLZYMKVSA-N 0 0 538.645 2.260 40 0 KEABRN CC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585281163 1066224437 /nfs/dbraw/zinc/22/44/37/1066224437.db2.gz WWHWOOUANPSUDO-LJAQVGFWSA-N 0 0 538.645 2.260 40 0 KEABRN COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCC3=O)c(OC)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281724 1066223130 /nfs/dbraw/zinc/22/31/30/1066223130.db2.gz QGYIOYYJXDCHLK-PMERELPUSA-N 0 0 591.652 2.465 40 0 KEABRN COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCC3=O)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281725 1066223417 /nfs/dbraw/zinc/22/34/17/1066223417.db2.gz QGYIOYYJXDCHLK-SSEXGKCCSA-N 0 0 591.652 2.465 40 0 KEABRN COCC(=O)N1CCN(Cc2cccc(OCCn3cncn3)c2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585281821 1066223095 /nfs/dbraw/zinc/22/30/95/1066223095.db2.gz BNBMDGILGYZDKF-MUUNZHRXSA-N 0 0 523.634 2.075 40 0 KEABRN COCC(=O)N1CCN(Cc2cccc(OCCn3cncn3)c2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585281822 1066222704 /nfs/dbraw/zinc/22/27/04/1066222704.db2.gz BNBMDGILGYZDKF-NDEPHWFRSA-N 0 0 523.634 2.075 40 0 KEABRN COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCC3=O)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585281881 1066223448 /nfs/dbraw/zinc/22/34/48/1066223448.db2.gz RXFYAISTNJOZNL-HKBQPEDESA-N 0 0 569.699 2.496 40 0 KEABRN COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCC3=O)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585281882 1066223325 /nfs/dbraw/zinc/22/33/25/1066223325.db2.gz RXFYAISTNJOZNL-WJOKGBTCSA-N 0 0 569.699 2.496 40 0 KEABRN Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3cnn(C)c3)CCO2)ccc1Cl ZINC000585282767 1066225487 /nfs/dbraw/zinc/22/54/87/1066225487.db2.gz ANKOGSULNJUYKK-AREMUKBSSA-N 0 0 518.058 2.155 40 0 KEABRN Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3cnn(C)c3)CCO2)ccc1Cl ZINC000585282769 1066225529 /nfs/dbraw/zinc/22/55/29/1066225529.db2.gz ANKOGSULNJUYKK-SANMLTNESA-N 0 0 518.058 2.155 40 0 KEABRN Cc1nn(C)cc1CCC(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000585283164 1066226129 /nfs/dbraw/zinc/22/61/29/1066226129.db2.gz CELLJPFCMRYPJP-HHHXNRCGSA-N 0 0 532.085 2.464 40 0 KEABRN Cc1nn(C)cc1CCC(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000585283168 1066226617 /nfs/dbraw/zinc/22/66/17/1066226617.db2.gz CELLJPFCMRYPJP-MHZLTWQESA-N 0 0 532.085 2.464 40 0 KEABRN O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000585283172 1066226681 /nfs/dbraw/zinc/22/66/81/1066226681.db2.gz CYEKTHMMODDODS-AREMUKBSSA-N 0 0 500.523 2.022 40 0 KEABRN O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000585283181 1066226638 /nfs/dbraw/zinc/22/66/38/1066226638.db2.gz CYEKTHMMODDODS-SANMLTNESA-N 0 0 500.523 2.022 40 0 KEABRN Cc1nccn1CCC(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000585283319 1066226447 /nfs/dbraw/zinc/22/64/47/1066226447.db2.gz DFTXVBIWZICJEL-RUZDIDTESA-N 0 0 505.015 2.469 40 0 KEABRN Cc1nccn1CCC(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000585283321 1066226408 /nfs/dbraw/zinc/22/64/08/1066226408.db2.gz DFTXVBIWZICJEL-VWLOTQADSA-N 0 0 505.015 2.469 40 0 KEABRN Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCCn3cccn3)CCO2)ccc1Cl ZINC000585283375 1066226560 /nfs/dbraw/zinc/22/65/60/1066226560.db2.gz DVLMWPCRANCLKR-AREMUKBSSA-N 0 0 518.058 2.466 40 0 KEABRN Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCCn3cccn3)CCO2)ccc1Cl ZINC000585283383 1066226219 /nfs/dbraw/zinc/22/62/19/1066226219.db2.gz DVLMWPCRANCLKR-SANMLTNESA-N 0 0 518.058 2.466 40 0 KEABRN O=C(CCn1ncc2ccccc21)N1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000585283696 1066225074 /nfs/dbraw/zinc/22/50/74/1066225074.db2.gz GVAMRNORNWCMJG-HHHXNRCGSA-N 0 0 510.566 2.491 40 0 KEABRN O=C(CCn1ncc2ccccc21)N1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000585283700 1066225741 /nfs/dbraw/zinc/22/57/41/1066225741.db2.gz GVAMRNORNWCMJG-MHZLTWQESA-N 0 0 510.566 2.491 40 0 KEABRN CC(C)c1noc(CCC(=O)N2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)n1 ZINC000585283721 1066225758 /nfs/dbraw/zinc/22/57/58/1066225758.db2.gz GZCCDQOQMAMBAB-RUZDIDTESA-N 0 0 504.559 2.190 40 0 KEABRN CC(C)c1noc(CCC(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)n1 ZINC000585283723 1066354684 /nfs/dbraw/zinc/35/46/84/1066354684.db2.gz GZCCDQOQMAMBAB-VWLOTQADSA-N 0 0 504.559 2.190 40 0 KEABRN CC(C)c1nccn1CCC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000585283801 1066225314 /nfs/dbraw/zinc/22/53/14/1066225314.db2.gz HVBJNFDPQZODRG-AREMUKBSSA-N 0 0 502.587 2.461 40 0 KEABRN CC(C)c1nccn1CCC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000585283809 1066226080 /nfs/dbraw/zinc/22/60/80/1066226080.db2.gz HVBJNFDPQZODRG-SANMLTNESA-N 0 0 502.587 2.461 40 0 KEABRN COc1cccc(OCC(=O)N2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)c1 ZINC000585283887 1066225085 /nfs/dbraw/zinc/22/50/85/1066225085.db2.gz IPRYBXJWYGVZLM-AREMUKBSSA-N 0 0 502.539 2.139 40 0 KEABRN COc1cccc(OCC(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)c1 ZINC000585283908 1066225776 /nfs/dbraw/zinc/22/57/76/1066225776.db2.gz IPRYBXJWYGVZLM-SANMLTNESA-N 0 0 502.539 2.139 40 0 KEABRN COc1ccccc1OCC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000585284374 1066224362 /nfs/dbraw/zinc/22/43/62/1066224362.db2.gz KOBTVFROGJIJHA-AREMUKBSSA-N 0 0 502.539 2.139 40 0 KEABRN COc1ccccc1OCC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000585284377 1066224623 /nfs/dbraw/zinc/22/46/23/1066224623.db2.gz KOBTVFROGJIJHA-SANMLTNESA-N 0 0 502.539 2.139 40 0 KEABRN CN(C)c1cccc(OCC(=O)N2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)c1 ZINC000585284572 1066226393 /nfs/dbraw/zinc/22/63/93/1066226393.db2.gz LXZDTMBLZXOLEY-HHHXNRCGSA-N 0 0 515.582 2.196 40 0 KEABRN CN(C)c1cccc(OCC(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)c1 ZINC000585284585 1066226486 /nfs/dbraw/zinc/22/64/86/1066226486.db2.gz LXZDTMBLZXOLEY-MHZLTWQESA-N 0 0 515.582 2.196 40 0 KEABRN Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CN(C(=O)CCc3ccnn3C)CCO2)ccc1Cl ZINC000585285466 1066228687 /nfs/dbraw/zinc/22/86/87/1066228687.db2.gz KRJFZNGMYVFVGF-RUZDIDTESA-N 0 0 505.015 2.240 40 0 KEABRN Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CN(C(=O)CCc3ccnn3C)CCO2)ccc1Cl ZINC000585285470 1066228159 /nfs/dbraw/zinc/22/81/59/1066228159.db2.gz KRJFZNGMYVFVGF-VWLOTQADSA-N 0 0 505.015 2.240 40 0 KEABRN Cc1cc(OC[C@@]2(CC(=O)N3CCCCC3)CN(C(=O)CN3CCN(C)CC3)CCO2)ccc1Cl ZINC000585285552 1066228414 /nfs/dbraw/zinc/22/84/14/1066228414.db2.gz LKVYDQBRCQUFPK-AREMUKBSSA-N 0 0 507.075 2.275 40 0 KEABRN Cc1cc(OC[C@]2(CC(=O)N3CCCCC3)CN(C(=O)CN3CCN(C)CC3)CCO2)ccc1Cl ZINC000585285569 1066228258 /nfs/dbraw/zinc/22/82/58/1066228258.db2.gz LKVYDQBRCQUFPK-SANMLTNESA-N 0 0 507.075 2.275 40 0 KEABRN CC(C)c1nnc(CCC(=O)N2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)o1 ZINC000585285656 1066228402 /nfs/dbraw/zinc/22/84/02/1066228402.db2.gz RNVBUALQSGTAIY-RUZDIDTESA-N 0 0 504.559 2.190 40 0 KEABRN CC(C)c1nnc(CCC(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)o1 ZINC000585285659 1066228609 /nfs/dbraw/zinc/22/86/09/1066228609.db2.gz RNVBUALQSGTAIY-VWLOTQADSA-N 0 0 504.559 2.190 40 0 KEABRN Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000585285856 1066228626 /nfs/dbraw/zinc/22/86/26/1066228626.db2.gz UOZOMEGAPBQVPL-AREMUKBSSA-N 0 0 502.587 2.034 40 0 KEABRN Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000585285862 1066228382 /nfs/dbraw/zinc/22/83/82/1066228382.db2.gz UOZOMEGAPBQVPL-SANMLTNESA-N 0 0 502.587 2.034 40 0 KEABRN Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCn3ccnc3)CCO2)ccc1Cl ZINC000585286077 1066226323 /nfs/dbraw/zinc/22/63/23/1066226323.db2.gz MZUBSUNVTMOOPV-RUZDIDTESA-N 0 0 504.031 2.076 40 0 KEABRN Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCn3ccnc3)CCO2)ccc1Cl ZINC000585286082 1066226655 /nfs/dbraw/zinc/22/66/55/1066226655.db2.gz MZUBSUNVTMOOPV-VWLOTQADSA-N 0 0 504.031 2.076 40 0 KEABRN Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3ccnn3C)CCO2)ccc1Cl ZINC000585286133 1066226696 /nfs/dbraw/zinc/22/66/96/1066226696.db2.gz NDRBSQQYFQATMR-AREMUKBSSA-N 0 0 518.058 2.155 40 0 KEABRN Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3ccnn3C)CCO2)ccc1Cl ZINC000585286135 1066226362 /nfs/dbraw/zinc/22/63/62/1066226362.db2.gz NDRBSQQYFQATMR-SANMLTNESA-N 0 0 518.058 2.155 40 0 KEABRN Cc1nccn1CCC(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000585286312 1066228116 /nfs/dbraw/zinc/22/81/16/1066228116.db2.gz NYQOOHAGHCZWND-AREMUKBSSA-N 0 0 518.058 2.384 40 0 KEABRN 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ZINC001548890227 1066435756 /nfs/dbraw/zinc/43/57/56/1066435756.db2.gz NJIKGNOLKKXBKB-PKTZIBPZSA-N 0 0 556.685 2.329 40 0 KEABRN O=C1NC2(CCN(Cc3csnn3)CC2)CCOc2cc(-c3ccccc3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548890237 1066435672 /nfs/dbraw/zinc/43/56/72/1066435672.db2.gz NKANUOKRCDRWNW-PKTZIBPZSA-N 0 0 569.709 2.263 40 0 KEABRN CCCNC(=O)N1CCC2(CC1)CCOc1cc(-c3ccccc3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890254 1066435649 /nfs/dbraw/zinc/43/56/49/1066435649.db2.gz NTWXNARAEXOLPB-PKTZIBPZSA-N 0 0 556.685 2.330 40 0 KEABRN O=C1NC2(CCN(Cc3cncnc3)CC2)CCOc2cc(-c3ccc(F)cc3F)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548890258 1066435766 /nfs/dbraw/zinc/43/57/66/1066435766.db2.gz NWRNNLUFDSKOKP-RDGATRHJSA-N 0 0 599.660 2.479 40 0 KEABRN O=C(Nc1ccc(F)cc1F)N1CCC2(CC1)CCOc1ccccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890331 1066435801 /nfs/dbraw/zinc/43/58/01/1066435801.db2.gz OIEPOAIYJQNJQI-XLIONFOSSA-N 0 0 550.584 2.054 40 0 KEABRN Cn1ccnc1CN1CCC2(CC1)CCOc1cc(-c3ccc(F)cc3F)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890343 1066435723 /nfs/dbraw/zinc/43/57/23/1066435723.db2.gz OKYYAALACIBFGS-QPPBQGQZSA-N 0 0 601.676 2.423 40 0 KEABRN O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)CCOc1cc(N3CCOCC3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890360 1066435832 /nfs/dbraw/zinc/43/58/32/1066435832.db2.gz OQDOCQLGKUISHR-RPWUZVMVSA-N 0 0 634.155 2.266 40 0 KEABRN COc1ncccc1CN1CCC2(CC1)CCOc1cc(-c3cccnc3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890450 1066435873 /nfs/dbraw/zinc/43/58/73/1066435873.db2.gz PPQPBZYJBBWNFY-RPBOFIJWSA-N 0 0 593.706 2.210 40 0 KEABRN COc1cccc(-c2ccc3c(c2)OCCC2(CCN(C(=O)NC(C)C)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548890520 1066435889 /nfs/dbraw/zinc/43/58/89/1066435889.db2.gz RDAOJACKMZFYRU-VWNXMTODSA-N 0 0 586.711 2.337 40 0 KEABRN Cn1ccnc1CN1CCC2(CC1)CCOc1cc(-c3ccccc3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890544 1066435858 /nfs/dbraw/zinc/43/58/58/1066435858.db2.gz SERLUXVCIOPHQI-RPWUZVMVSA-N 0 0 565.696 2.145 40 0 KEABRN O=C1NC2(CCN(Cc3ccncc3F)CC2)CCOc2cc(C3CCOCC3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548890547 1066435816 /nfs/dbraw/zinc/43/58/16/1066435816.db2.gz SGYYWJGSNVRRMV-NOZRDPDXSA-N 0 0 588.702 2.172 40 0 KEABRN Cn1cc(-c2ccc3c(c2)OCCC2(CCN(C(=O)Nc4ccccc4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 ZINC001548890560 1066435685 /nfs/dbraw/zinc/43/56/85/1066435685.db2.gz SZQVJPJYFLJVDP-RPWUZVMVSA-N 0 0 594.694 2.176 40 0 KEABRN COc1ncccc1CN1CCC2(CC1)CCOc1cc(C3CCOCC3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890598 1066435839 /nfs/dbraw/zinc/43/58/39/1066435839.db2.gz UDHKSWXSOASTRV-RPBOFIJWSA-N 0 0 600.738 2.042 40 0 KEABRN COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4csnn4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548890998 1066436615 /nfs/dbraw/zinc/43/66/15/1066436615.db2.gz VLCWFQLQHVTHDH-VWNXMTODSA-N 0 0 599.735 2.271 40 0 KEABRN O=C(NC1CCCCC1)N1CCC2(CC1)CCOc1cc(C3CCOCC3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548891111 1066436563 /nfs/dbraw/zinc/43/65/63/1066436563.db2.gz WQEJHEDKASMEPA-RPBOFIJWSA-N 0 0 604.770 2.480 40 0 KEABRN Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccc(F)c(F)c4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 ZINC001548891120 1066436537 /nfs/dbraw/zinc/43/65/37/1066436537.db2.gz XKTHEVGBDLPYSS-RDGATRHJSA-N 0 0 601.676 2.423 40 0 KEABRN Cn1cc(-c2ccc3c(c2)OCCC2(CCN(C(=O)Nc4ccc(F)cc4F)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 ZINC001548891123 1066436572 /nfs/dbraw/zinc/43/65/72/1066436572.db2.gz XOVMXGUUNQRCGI-QPPBQGQZSA-N 0 0 630.674 2.455 40 0 KEABRN Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccncc4Cl)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 ZINC001548891185 1066436646 /nfs/dbraw/zinc/43/66/46/1066436646.db2.gz YKGVDXIHPWXFBA-VWNXMTODSA-N 0 0 601.129 2.193 40 0 KEABRN Cn1cc(-c2ccc3c(c2)OCCC2(CCN(C(=O)Nc4cccc(F)c4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 ZINC001548891295 1066436623 /nfs/dbraw/zinc/43/66/23/1066436623.db2.gz ZFVCGWFTPYGUMT-RPWUZVMVSA-N 0 0 612.684 2.316 40 0 KEABRN COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4nccn4C)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548891302 1066436556 /nfs/dbraw/zinc/43/65/56/1066436556.db2.gz ZGWMYCZONLMHOP-NOZRDPDXSA-N 0 0 595.722 2.153 40 0 KEABRN CC(C)c1ccc2c(c1)OCCC1(CCN(Cc3ccncc3F)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O ZINC001548891358 1066436705 /nfs/dbraw/zinc/43/67/05/1066436705.db2.gz ZWRBMLZJWMWSLN-GGAORHGYSA-N 0 0 546.665 2.402 40 0 KEABRN CC(C)(C)c1cc(Br)cc(C(CC(=O)[O-])NC(=O)CNC(=O)c2cc(O)cc(NC3=[NH+]CC(O)CN3)c2)c1 ZINC001560406067 1066437224 /nfs/dbraw/zinc/43/72/24/1066437224.db2.gz IWSIQSAEIAQGJY-UHFFFAOYSA-N 0 0 589.467 2.085 40 0 KEABRN COC(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1 ZINC001560408719 1066437235 /nfs/dbraw/zinc/43/72/35/1066437235.db2.gz DMGRHVLAFOFDBP-XCZPVHLTSA-N 0 0 579.718 2.031 40 0 KEABRN CC(=O)OC1=C(O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O ZINC001560408783 1066437202 /nfs/dbraw/zinc/43/72/02/1066437202.db2.gz UACUAXIHENJRJT-HBMOYMPUSA-N 0 0 585.626 2.357 40 0 KEABRN CNC(=O)C1OC(n2cnc3c2ncnc3NCc2cccc(I)c2)C(=O)C1=O ZINC001560410040 1066437330 /nfs/dbraw/zinc/43/73/30/1066437330.db2.gz VKHNUKDMKDKVQX-UHFFFAOYSA-N 0 0 506.260 2.396 40 0 KEABRN CCOC1=C(NC(=O)C2CCCN2C(=O)[C@@H](NC(=O)c2ccc(N)c(Cl)c2)C(C)(C)C)CC(=O)O1 ZINC001560410135 1066437286 /nfs/dbraw/zinc/43/72/86/1066437286.db2.gz YSTHUTSBNCHVKK-LJQANCHMSA-N 0 0 505.979 2.490 40 0 KEABRN COc1ccc(C2(O)CCC([N@@H+]3CC[C@@H](NC(=O)CN(CS(=O)(=O)[O-])C(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 ZINC001570007128 1066438861 /nfs/dbraw/zinc/43/88/61/1066438861.db2.gz CNDGVAROPGYRFF-AGHUKTAOSA-N 0 0 614.643 2.417 40 0 KEABRN