smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000622855 551502907 /nfs/dbraw/zinc/50/29/07/551502907.db2.gz NNEPSGQTFDZIQS-ZHHPLPSFSA-N 0 0 533.606 2.552 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000622858 551502879 /nfs/dbraw/zinc/50/28/79/551502879.db2.gz NNEPSGQTFDZIQS-AYWGPLOBSA-N 0 0 533.606 2.552 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000000654857 551513658 /nfs/dbraw/zinc/51/36/58/551513658.db2.gz FAUPKXWBCBEVSZ-WNOSOOIWSA-N 0 0 506.580 2.659 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000000654861 551513651 /nfs/dbraw/zinc/51/36/51/551513651.db2.gz FAUPKXWBCBEVSZ-OBVMJLIASA-N 0 0 506.580 2.659 40 0 KFABRN COc1ccc(OC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)c1 ZINC000000798828 551543261 /nfs/dbraw/zinc/54/32/61/551543261.db2.gz UHUIPIITLSAEAQ-UHFFFAOYSA-N 0 0 530.006 2.883 40 0 KFABRN COc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)c(OC)c1 ZINC000000798837 551543253 /nfs/dbraw/zinc/54/32/53/551543253.db2.gz ZONXKCLHZQQISO-UHFFFAOYSA-N 0 0 530.006 2.883 40 0 KFABRN O=C(NCc1ccc(Cl)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000854529 551550214 /nfs/dbraw/zinc/55/02/14/551550214.db2.gz QTHGHEKXMFLEPO-QHCPKHFHSA-N 0 0 534.059 2.720 40 0 KFABRN Cc1ccccc1OC[C@H](O)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000863237 551551839 /nfs/dbraw/zinc/55/18/39/551551839.db2.gz IUKITPBAMZFDMY-QGZVFWFLSA-N 0 0 514.991 2.800 40 0 KFABRN Cc1ccccc1OC[C@@H](O)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000863238 551551892 /nfs/dbraw/zinc/55/18/92/551551892.db2.gz IUKITPBAMZFDMY-KRWDZBQOSA-N 0 0 514.991 2.800 40 0 KFABRN COc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)n3c2c1 ZINC000000877283 551554867 /nfs/dbraw/zinc/55/48/67/551554867.db2.gz HJWLJDXTCDOWTQ-UHFFFAOYSA-N 0 0 527.628 2.951 40 0 KFABRN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C ZINC000000883753 551556068 /nfs/dbraw/zinc/55/60/68/551556068.db2.gz XIDIKSBJKFNBNA-UHFFFAOYSA-N 0 0 501.634 2.851 40 0 KFABRN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C ZINC000000883762 551556125 /nfs/dbraw/zinc/55/61/25/551556125.db2.gz RXXAFUULUBZEOM-UHFFFAOYSA-N 0 0 517.633 2.633 40 0 KFABRN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C ZINC000000883764 551556070 /nfs/dbraw/zinc/55/60/70/551556070.db2.gz CDRDOKSWHCYTPT-UHFFFAOYSA-N 0 0 517.633 2.551 40 0 KFABRN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C ZINC000000883785 551556507 /nfs/dbraw/zinc/55/65/07/551556507.db2.gz RRFSIKVHHJDAHA-KRWDZBQOSA-N 0 0 513.645 2.573 40 0 KFABRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C ZINC000000883787 551556519 /nfs/dbraw/zinc/55/65/19/551556519.db2.gz RRFSIKVHHJDAHA-QGZVFWFLSA-N 0 0 513.645 2.573 40 0 KFABRN CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n21 ZINC000000883829 551556518 /nfs/dbraw/zinc/55/65/18/551556518.db2.gz QUFHRXCDIULFQY-UHFFFAOYSA-N 0 0 513.645 2.988 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000000885947 551558167 /nfs/dbraw/zinc/55/81/67/551558167.db2.gz PUCYXRNMYVIXAR-KRWDZBQOSA-N 0 0 536.589 2.562 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000000885986 551558451 /nfs/dbraw/zinc/55/84/51/551558451.db2.gz LJSHFAOBZGPGLA-SANMLTNESA-N 0 0 553.639 2.732 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000000885988 551558510 /nfs/dbraw/zinc/55/85/10/551558510.db2.gz LJSHFAOBZGPGLA-AREMUKBSSA-N 0 0 553.639 2.732 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)o1 ZINC000000886261 551558601 /nfs/dbraw/zinc/55/86/01/551558601.db2.gz BDQVEBIEYIKORG-DEOSSOPVSA-N 0 0 541.678 2.654 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)o1 ZINC000000886263 551558617 /nfs/dbraw/zinc/55/86/17/551558617.db2.gz BDQVEBIEYIKORG-XMMPIXPASA-N 0 0 541.678 2.654 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C)C(=O)NC3CCCCC3)n2)cc1OC ZINC000000886345 551558999 /nfs/dbraw/zinc/55/89/99/551558999.db2.gz VZYLKIWYZAOHEA-SFHVURJKSA-N 0 0 550.616 2.952 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C)C(=O)NC3CCCCC3)n2)cc1OC ZINC000000886348 551558976 /nfs/dbraw/zinc/55/89/76/551558976.db2.gz VZYLKIWYZAOHEA-GOSISDBHSA-N 0 0 550.616 2.952 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C)C(=O)NC3CCCCC3)n2)cc1 ZINC000000886355 551558988 /nfs/dbraw/zinc/55/89/88/551558988.db2.gz XPXHEQTVHHXPJJ-SFHVURJKSA-N 0 0 520.590 2.991 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C)C(=O)NC3CCCCC3)n2)cc1 ZINC000000886358 551558943 /nfs/dbraw/zinc/55/89/43/551558943.db2.gz XPXHEQTVHHXPJJ-GOSISDBHSA-N 0 0 520.590 2.991 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)o1 ZINC000000886372 551558973 /nfs/dbraw/zinc/55/89/73/551558973.db2.gz FDVHOXXEFLWFHG-SANMLTNESA-N 0 0 553.639 2.732 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3cccs3)n2)o1 ZINC000000888472 551562065 /nfs/dbraw/zinc/56/20/65/551562065.db2.gz KIQXGRCAOFOUDJ-DEOSSOPVSA-N 0 0 541.678 2.654 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3cccs3)n2)o1 ZINC000000888476 551562084 /nfs/dbraw/zinc/56/20/84/551562084.db2.gz KIQXGRCAOFOUDJ-XMMPIXPASA-N 0 0 541.678 2.654 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)o1 ZINC000000888707 551562309 /nfs/dbraw/zinc/56/23/09/551562309.db2.gz RJCOBDSZWVXYOE-CLOONOSVSA-N 0 0 548.556 2.675 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)o1 ZINC000000888709 551562412 /nfs/dbraw/zinc/56/24/12/551562412.db2.gz RJCOBDSZWVXYOE-KBMIEXCESA-N 0 0 548.556 2.675 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)o1 ZINC000000888711 551562344 /nfs/dbraw/zinc/56/23/44/551562344.db2.gz RJCOBDSZWVXYOE-DFBJGRDBSA-N 0 0 548.556 2.675 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)o1 ZINC000000888713 551562348 /nfs/dbraw/zinc/56/23/48/551562348.db2.gz RJCOBDSZWVXYOE-UQBPGWFLSA-N 0 0 548.556 2.675 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)o1 ZINC000000888739 551562561 /nfs/dbraw/zinc/56/25/61/551562561.db2.gz GTFUCRCXUYIQTB-JPYJTQIMSA-N 0 0 508.535 2.801 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)o1 ZINC000000888742 551562591 /nfs/dbraw/zinc/56/25/91/551562591.db2.gz GTFUCRCXUYIQTB-WZONZLPQSA-N 0 0 508.535 2.801 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)o1 ZINC000000888744 551562573 /nfs/dbraw/zinc/56/25/73/551562573.db2.gz GTFUCRCXUYIQTB-MBSDFSHPSA-N 0 0 508.535 2.801 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)o1 ZINC000000888746 551562623 /nfs/dbraw/zinc/56/26/23/551562623.db2.gz GTFUCRCXUYIQTB-FDDCHVKYSA-N 0 0 508.535 2.801 40 0 KFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCN1CCOCC1)C(=S)NCCc1ccccc1)OCCO3 ZINC000000891223 551562911 /nfs/dbraw/zinc/56/29/11/551562911.db2.gz BIHWHHFFILXGPU-UHFFFAOYSA-N 0 0 508.644 2.551 40 0 KFABRN COC(=O)c1ccccc1NC(=S)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000000891230 551562817 /nfs/dbraw/zinc/56/28/17/551562817.db2.gz MGIQSAJIRSAOKC-UHFFFAOYSA-N 0 0 538.626 2.617 40 0 KFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCCN1CCOCC1)C(=S)NCc1ccccc1)OCCO3 ZINC000000891248 551562876 /nfs/dbraw/zinc/56/28/76/551562876.db2.gz XLXKYTMZGUODGF-UHFFFAOYSA-N 0 0 508.644 2.898 40 0 KFABRN COc1cc2cc(CN(CCN3CCOCC3)C(=S)NCCc3ccccc3)c(=O)[nH]c2cc1OC ZINC000000895463 551563694 /nfs/dbraw/zinc/56/36/94/551563694.db2.gz DZJNNBDDUVTDSI-UHFFFAOYSA-N 0 0 510.660 2.797 40 0 KFABRN COC(=O)c1ccccc1NC(=S)N(CCN1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000000895478 551563651 /nfs/dbraw/zinc/56/36/51/551563651.db2.gz UBSHZSIVILVBOU-UHFFFAOYSA-N 0 0 540.642 2.863 40 0 KFABRN COc1cc2cc(CN(CCCN3CCOCC3)C(=S)NCc3ccco3)c(=O)[nH]c2cc1OC ZINC000000895541 551563950 /nfs/dbraw/zinc/56/39/50/551563950.db2.gz CESMPGLYHXDPET-UHFFFAOYSA-N 0 0 500.621 2.737 40 0 KFABRN CC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cccc(O)c1 ZINC000000903572 551566428 /nfs/dbraw/zinc/56/64/28/551566428.db2.gz FDOLJOXKLDINNK-NRFANRHFSA-N 0 0 508.579 2.934 40 0 KFABRN CC[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cccc(O)c1 ZINC000000903574 551566434 /nfs/dbraw/zinc/56/64/34/551566434.db2.gz FDOLJOXKLDINNK-OAQYLSRUSA-N 0 0 508.579 2.934 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)Cc3ccc(F)cc3)n2)cc1OC ZINC000000903622 551566411 /nfs/dbraw/zinc/56/64/11/551566411.db2.gz VLJDLWFMAMKQEU-UHFFFAOYSA-N 0 0 510.570 2.974 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccncc3)n2)o1 ZINC000000903977 551566988 /nfs/dbraw/zinc/56/69/88/551566988.db2.gz LJGPOWPVYYRRCE-QPPBQGQZSA-N 0 0 501.547 2.706 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccncc3)n2)o1 ZINC000000903981 551566879 /nfs/dbraw/zinc/56/68/79/551566879.db2.gz LJGPOWPVYYRRCE-ZJSXRUAMSA-N 0 0 501.547 2.706 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccncc3)n2)o1 ZINC000000903985 551566933 /nfs/dbraw/zinc/56/69/33/551566933.db2.gz LJGPOWPVYYRRCE-URXFXBBRSA-N 0 0 501.547 2.706 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccncc3)n2)o1 ZINC000000903988 551566922 /nfs/dbraw/zinc/56/69/22/551566922.db2.gz LJGPOWPVYYRRCE-XUZZJYLKSA-N 0 0 501.547 2.706 40 0 KFABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCc2ccccc2C1)OCCO3 ZINC000000913269 551570690 /nfs/dbraw/zinc/57/06/90/551570690.db2.gz ZGQKBYCRRUPGEL-CJFMBICVSA-N 0 0 500.559 2.613 40 0 KFABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000000919433 551573523 /nfs/dbraw/zinc/57/35/23/551573523.db2.gz OOFNFQBWXSUGFB-UHFFFAOYSA-N 0 0 521.551 2.872 40 0 KFABRN COC(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c1 ZINC000000919436 551573487 /nfs/dbraw/zinc/57/34/87/551573487.db2.gz NXBNCVDHFGTPEW-UHFFFAOYSA-N 0 0 521.551 2.872 40 0 KFABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000000919440 551573542 /nfs/dbraw/zinc/57/35/42/551573542.db2.gz YAEUSUJNUDTEGF-UHFFFAOYSA-N 0 0 521.551 2.872 40 0 KFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccnc1)S(=O)(=O)c1ccc2c(c1)OCCO2)OCCO3 ZINC000000919452 551573658 /nfs/dbraw/zinc/57/36/58/551573658.db2.gz PBDKLOREFJMJKM-UHFFFAOYSA-N 0 0 521.551 2.857 40 0 KFABRN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000000921054 551574895 /nfs/dbraw/zinc/57/48/95/551574895.db2.gz PPZBAIXRCSPXGX-UHFFFAOYSA-N 0 0 517.629 2.637 40 0 KFABRN O=S(=O)(c1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCOCC1 ZINC000000922622 551576808 /nfs/dbraw/zinc/57/68/08/551576808.db2.gz NVLDMSUKYIISMH-UHFFFAOYSA-N 0 0 541.695 2.803 40 0 KFABRN Cc1nn(C)cc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000000922698 551577027 /nfs/dbraw/zinc/57/70/27/551577027.db2.gz ADQFMPBJULGAGW-NDEPHWFRSA-N 0 0 592.726 2.947 40 0 KFABRN Cc1nn(C)cc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000000922699 551577037 /nfs/dbraw/zinc/57/70/37/551577037.db2.gz ADQFMPBJULGAGW-MUUNZHRXSA-N 0 0 592.726 2.947 40 0 KFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000925865 551579120 /nfs/dbraw/zinc/57/91/20/551579120.db2.gz ZSNZKJSAWVERQL-UHFFFAOYSA-N 0 0 520.590 2.648 40 0 KFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000000926051 551579515 /nfs/dbraw/zinc/57/95/15/551579515.db2.gz CRVORYLIVVTTMD-UHFFFAOYSA-N 0 0 504.547 2.571 40 0 KFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000000926241 551579554 /nfs/dbraw/zinc/57/95/54/551579554.db2.gz IUSGDJZXCDTSLE-UHFFFAOYSA-N 0 0 520.590 2.648 40 0 KFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000000926453 551579497 /nfs/dbraw/zinc/57/94/97/551579497.db2.gz DQCBGTLJQWBAEA-UHFFFAOYSA-N 0 0 520.590 2.648 40 0 KFABRN COc1ccc(Cn2nnnc2CN(CCN2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000000926644 551579539 /nfs/dbraw/zinc/57/95/39/551579539.db2.gz WAPWWJYQBRKDFG-UHFFFAOYSA-N 0 0 517.634 2.523 40 0 KFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000926655 551579496 /nfs/dbraw/zinc/57/94/96/551579496.db2.gz BOYYZKFGBXHOKA-UHFFFAOYSA-N 0 0 504.547 2.626 40 0 KFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000926862 551579928 /nfs/dbraw/zinc/57/99/28/551579928.db2.gz HJMGQYFJTMOHSL-UHFFFAOYSA-N 0 0 504.547 2.626 40 0 KFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000926878 551579973 /nfs/dbraw/zinc/57/99/73/551579973.db2.gz DDKUZZZKNOXNGR-UHFFFAOYSA-N 0 0 534.617 2.957 40 0 KFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000927071 551579994 /nfs/dbraw/zinc/57/99/94/551579994.db2.gz ARCBEBOQPSKZBU-UHFFFAOYSA-N 0 0 534.617 2.957 40 0 KFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000927256 551580171 /nfs/dbraw/zinc/58/01/71/551580171.db2.gz YRPJENNJZULXMR-UHFFFAOYSA-N 0 0 504.547 2.626 40 0 KFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000927270 551580211 /nfs/dbraw/zinc/58/02/11/551580211.db2.gz MRJNPUNFMJHMCI-UHFFFAOYSA-N 0 0 534.617 2.957 40 0 KFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000927464 551580265 /nfs/dbraw/zinc/58/02/65/551580265.db2.gz SPQFBPVGQXSEOL-UHFFFAOYSA-N 0 0 504.547 2.626 40 0 KFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000000928107 551580597 /nfs/dbraw/zinc/58/05/97/551580597.db2.gz LNXANMHVFMFHGJ-UHFFFAOYSA-N 0 0 506.563 2.687 40 0 KFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000000928125 551580630 /nfs/dbraw/zinc/58/06/30/551580630.db2.gz VCIQDWOQRICKII-UHFFFAOYSA-N 0 0 550.616 2.739 40 0 KFABRN CCC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1 ZINC000000930465 551581444 /nfs/dbraw/zinc/58/14/44/551581444.db2.gz KWCHNSDTZFSZOK-UHFFFAOYSA-N 0 0 506.588 2.561 40 0 KFABRN CCC(=O)Nc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)c1 ZINC000000930466 551581495 /nfs/dbraw/zinc/58/14/95/551581495.db2.gz PRBVILNATXWHGW-UHFFFAOYSA-N 0 0 506.588 2.561 40 0 KFABRN CCC(=O)Nc1cc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)ccc1C ZINC000000930469 551581448 /nfs/dbraw/zinc/58/14/48/551581448.db2.gz ZEKDZUCJXQBGEP-UHFFFAOYSA-N 0 0 520.615 2.870 40 0 KFABRN COc1ccc(OC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)c1 ZINC000000930496 551581468 /nfs/dbraw/zinc/58/14/68/551581468.db2.gz NVEMMOIMYQORSM-UHFFFAOYSA-N 0 0 509.588 2.538 40 0 KFABRN COc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)c(OC)c1 ZINC000000930497 551581456 /nfs/dbraw/zinc/58/14/56/551581456.db2.gz ZJNXSGGORSDLHM-UHFFFAOYSA-N 0 0 509.588 2.538 40 0 KFABRN Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000931275 551583923 /nfs/dbraw/zinc/58/39/23/551583923.db2.gz PGGGZXNFFMHOHN-UHFFFAOYSA-N 0 0 515.617 2.769 40 0 KFABRN Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000931276 551583985 /nfs/dbraw/zinc/58/39/85/551583985.db2.gz SANFDGVHPZQEEF-UHFFFAOYSA-N 0 0 501.590 2.726 40 0 KFABRN COc1ccc(CCN(Cc2ccccn2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC ZINC000000933232 551585541 /nfs/dbraw/zinc/58/55/41/551585541.db2.gz SLOMRPOMFNBAET-UHFFFAOYSA-N 0 0 519.645 2.783 40 0 KFABRN COc1cccc(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)c1 ZINC000000934187 551586617 /nfs/dbraw/zinc/58/66/17/551586617.db2.gz BMLJMKSUQMCDJD-UHFFFAOYSA-N 0 0 509.544 2.799 40 0 KFABRN CCOc1cc(C(=S)N2C[C@@H](C)O[C@@H](C)C2)cc(I)c1OCC(=O)N1CCOCC1 ZINC000001105247 551609816 /nfs/dbraw/zinc/60/98/16/551609816.db2.gz KOKUVJCXMMXQAC-GASCZTMLSA-N 0 0 548.443 2.712 40 0 KFABRN CCOc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc(I)c1OCC(=O)N1CCOCC1 ZINC000001105248 551609860 /nfs/dbraw/zinc/60/98/60/551609860.db2.gz KOKUVJCXMMXQAC-HUUCEWRRSA-N 0 0 548.443 2.712 40 0 KFABRN CCOc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(I)c1OCC(=O)N1CCOCC1 ZINC000001105249 551609943 /nfs/dbraw/zinc/60/99/43/551609943.db2.gz KOKUVJCXMMXQAC-GJZGRUSLSA-N 0 0 548.443 2.712 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000001212283 551625411 /nfs/dbraw/zinc/62/54/11/551625411.db2.gz OAZZDUNWYIJDPF-MFUBYVTQSA-N 0 0 524.595 2.833 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000001212288 551625380 /nfs/dbraw/zinc/62/53/80/551625380.db2.gz OAZZDUNWYIJDPF-RWTNITNYSA-N 0 0 524.595 2.833 40 0 KFABRN CCOC(=O)c1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c1 ZINC000001222967 551628450 /nfs/dbraw/zinc/62/84/50/551628450.db2.gz HLRBSHNDNYVLNN-UHFFFAOYSA-N 0 0 525.562 2.529 40 0 KFABRN CCC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)cc1 ZINC000001222969 551628489 /nfs/dbraw/zinc/62/84/89/551628489.db2.gz CHPDJOJHLRHIBU-UHFFFAOYSA-N 0 0 524.578 2.700 40 0 KFABRN COc1ccc(Cn2nnnc2CN(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000001325099 551642557 /nfs/dbraw/zinc/64/25/57/551642557.db2.gz NTZPADRMTJPXII-UHFFFAOYSA-N 0 0 525.569 2.940 40 0 KFABRN O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000001325527 551642755 /nfs/dbraw/zinc/64/27/55/551642755.db2.gz YIHJZICHGRLONN-UHFFFAOYSA-N 0 0 528.656 2.817 40 0 KFABRN COc1cccc(N(C(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1 ZINC000001325678 551642730 /nfs/dbraw/zinc/64/27/30/551642730.db2.gz ORPLYOKECHBRBH-DEOSSOPVSA-N 0 0 502.502 2.915 40 0 KFABRN COc1cccc(N(C(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1 ZINC000001325680 551643196 /nfs/dbraw/zinc/64/31/96/551643196.db2.gz ORPLYOKECHBRBH-XMMPIXPASA-N 0 0 502.502 2.915 40 0 KFABRN O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1)N1CCOCC1 ZINC000001327664 551643947 /nfs/dbraw/zinc/64/39/47/551643947.db2.gz BJWWZTDOTLDDAX-UHFFFAOYSA-N 0 0 525.052 2.806 40 0 KFABRN O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000001332400 551644809 /nfs/dbraw/zinc/64/48/09/551644809.db2.gz HZBUAHOMKOCWDN-LJQANCHMSA-N 0 0 541.699 2.990 40 0 KFABRN O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000001332402 551644789 /nfs/dbraw/zinc/64/47/89/551644789.db2.gz HZBUAHOMKOCWDN-IBGZPJMESA-N 0 0 541.699 2.990 40 0 KFABRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccc(F)cc2)cc1 ZINC000001333339 551644821 /nfs/dbraw/zinc/64/48/21/551644821.db2.gz BQVJFRGDJBPIEE-UHFFFAOYSA-N 0 0 505.593 2.906 40 0 KFABRN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1 ZINC000001333344 551644814 /nfs/dbraw/zinc/64/48/14/551644814.db2.gz SMRYVDGDSBICPJ-UHFFFAOYSA-N 0 0 547.630 2.676 40 0 KFABRN COc1ccc(CN(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000001333349 551644811 /nfs/dbraw/zinc/64/48/11/551644811.db2.gz BBYPANJKPULAPF-UHFFFAOYSA-N 0 0 529.640 2.966 40 0 KFABRN COc1ccc(CN(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000001333352 551644802 /nfs/dbraw/zinc/64/48/02/551644802.db2.gz ORXSAVVBUBJEIU-UHFFFAOYSA-N 0 0 517.629 2.775 40 0 KFABRN O=C(CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccccc1 ZINC000001333354 551644795 /nfs/dbraw/zinc/64/47/95/551644795.db2.gz DEFJIKBALZOZCK-UHFFFAOYSA-N 0 0 543.623 2.686 40 0 KFABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1 ZINC000001333379 551645009 /nfs/dbraw/zinc/64/50/09/551645009.db2.gz FCNBFCGFCDCKDN-UHFFFAOYSA-N 0 0 529.640 2.537 40 0 KFABRN CCOC(=O)Cn1nnnc1[C@@H](C(C)C)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334426 551644914 /nfs/dbraw/zinc/64/49/14/551644914.db2.gz AERCLNVIRABTSW-RUZDIDTESA-N 0 0 533.589 2.643 40 0 KFABRN CCOC(=O)Cn1nnnc1[C@H](C(C)C)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334428 551644937 /nfs/dbraw/zinc/64/49/37/551644937.db2.gz AERCLNVIRABTSW-VWLOTQADSA-N 0 0 533.589 2.643 40 0 KFABRN O=S(=O)(c1cccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c1)N1CCOCC1 ZINC000001335129 551645301 /nfs/dbraw/zinc/64/53/01/551645301.db2.gz QXAWZYFYMRPIEP-UHFFFAOYSA-N 0 0 507.659 2.886 40 0 KFABRN CCC[C@@H](c1nnnn1CC(=O)OCC)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335556 551645361 /nfs/dbraw/zinc/64/53/61/551645361.db2.gz JMBHIOUJUPUJIX-QFIPXVFZSA-N 0 0 533.589 2.788 40 0 KFABRN CCC[C@H](c1nnnn1CC(=O)OCC)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335558 551645382 /nfs/dbraw/zinc/64/53/82/551645382.db2.gz JMBHIOUJUPUJIX-JOCHJYFZSA-N 0 0 533.589 2.788 40 0 KFABRN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000001361832 551648110 /nfs/dbraw/zinc/64/81/10/551648110.db2.gz BZOGMMDYOYJZSU-UHFFFAOYSA-N 0 0 502.600 2.969 40 0 KFABRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 ZINC000001362045 551648245 /nfs/dbraw/zinc/64/82/45/551648245.db2.gz PLSUSDXLULYWNY-DEOSSOPVSA-N 0 0 513.558 2.913 40 0 KFABRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 ZINC000001362047 551648330 /nfs/dbraw/zinc/64/83/30/551648330.db2.gz PLSUSDXLULYWNY-XMMPIXPASA-N 0 0 513.558 2.913 40 0 KFABRN 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/nfs/dbraw/zinc/10/98/96/553109896.db2.gz WHPIKDSELMRIGW-RUZDIDTESA-N 0 0 509.628 2.865 40 0 KFABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000008670939 553110193 /nfs/dbraw/zinc/11/01/93/553110193.db2.gz CJQSLBHAGYUEPH-MZKRTTBSSA-N 0 0 521.680 2.796 40 0 KFABRN C[C@H]1[C@H](NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)CCC[C@@H]1C ZINC000008670941 553110200 /nfs/dbraw/zinc/11/02/00/553110200.db2.gz CJQSLBHAGYUEPH-MIZPHKNDSA-N 0 0 521.680 2.796 40 0 KFABRN CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000008671349 553110429 /nfs/dbraw/zinc/11/04/29/553110429.db2.gz RYOGQSCHULUCMJ-QUCCMNQESA-N 0 0 509.650 2.572 40 0 KFABRN CC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000008671350 553110499 /nfs/dbraw/zinc/11/04/99/553110499.db2.gz RYOGQSCHULUCMJ-ICSRJNTNSA-N 0 0 509.650 2.572 40 0 KFABRN CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000008671353 553110405 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/nfs/dbraw/zinc/11/19/66/553111966.db2.gz FIRQNVSWTFLILY-QHCPKHFHSA-N 0 0 512.607 2.962 40 0 KFABRN Cc1ccccc1CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000008686877 553116076 /nfs/dbraw/zinc/11/60/76/553116076.db2.gz JIVNFXQYTYXBKT-RBJSKKJNSA-N 0 0 576.675 2.642 40 0 KFABRN Cc1ccccc1CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@H](C(=O)NC[C@H]1CCCO1)c1ccncc1 ZINC000008686879 553116086 /nfs/dbraw/zinc/11/60/86/553116086.db2.gz JIVNFXQYTYXBKT-YWEHKCAJSA-N 0 0 576.675 2.642 40 0 KFABRN Cc1ccccc1CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccncc1 ZINC000008686880 553116094 /nfs/dbraw/zinc/11/60/94/553116094.db2.gz JIVNFXQYTYXBKT-UFHPHHKVSA-N 0 0 576.675 2.642 40 0 KFABRN COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)cc(OC)c1 ZINC000008690192 553117071 /nfs/dbraw/zinc/11/70/71/553117071.db2.gz OEMOTSWBUJVPHM-MUUNZHRXSA-N 0 0 571.682 2.873 40 0 KFABRN COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)cc(OC)c1 ZINC000008690193 553117125 /nfs/dbraw/zinc/11/71/25/553117125.db2.gz OEMOTSWBUJVPHM-NDEPHWFRSA-N 0 0 571.682 2.873 40 0 KFABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)c1 ZINC000008690194 553117051 /nfs/dbraw/zinc/11/70/51/553117051.db2.gz KBYXWUAKOCADOK-HHHXNRCGSA-N 0 0 541.656 2.865 40 0 KFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)c1 ZINC000008690195 553117117 /nfs/dbraw/zinc/11/71/17/553117117.db2.gz KBYXWUAKOCADOK-MHZLTWQESA-N 0 0 541.656 2.865 40 0 KFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)cc1OC ZINC000008690196 553117067 /nfs/dbraw/zinc/11/70/67/553117067.db2.gz IBCHTWWTIMJOBA-AREMUKBSSA-N 0 0 571.682 2.873 40 0 KFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)cc1OC ZINC000008690197 553117108 /nfs/dbraw/zinc/11/71/08/553117108.db2.gz IBCHTWWTIMJOBA-SANMLTNESA-N 0 0 571.682 2.873 40 0 KFABRN COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)c1 ZINC000008690198 553117091 /nfs/dbraw/zinc/11/70/91/553117091.db2.gz KQOCAYQKUGWXIX-HHHXNRCGSA-N 0 0 571.682 2.873 40 0 KFABRN COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)c1 ZINC000008690199 553117094 /nfs/dbraw/zinc/11/70/94/553117094.db2.gz KQOCAYQKUGWXIX-MHZLTWQESA-N 0 0 571.682 2.873 40 0 KFABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)c1OC ZINC000008690211 553117054 /nfs/dbraw/zinc/11/70/54/553117054.db2.gz YWUUHDUDAYETDT-AREMUKBSSA-N 0 0 571.682 2.873 40 0 KFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)c1OC ZINC000008690212 553117025 /nfs/dbraw/zinc/11/70/25/553117025.db2.gz YWUUHDUDAYETDT-SANMLTNESA-N 0 0 571.682 2.873 40 0 KFABRN Cc1ccccc1CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000008690348 553117421 /nfs/dbraw/zinc/11/74/21/553117421.db2.gz JIVNFXQYTYXBKT-CUBQBAPOSA-N 0 0 576.675 2.642 40 0 KFABRN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 ZINC000008738151 553130817 /nfs/dbraw/zinc/13/08/17/553130817.db2.gz FZSSCWNLRCNLKE-CGXNFDGLSA-N 0 0 508.328 2.971 40 0 KFABRN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 ZINC000008738152 553130678 /nfs/dbraw/zinc/13/06/78/553130678.db2.gz FZSSCWNLRCNLKE-MXEMCNAFSA-N 0 0 508.328 2.971 40 0 KFABRN Cc1ccc(C(OC[C@H]2O[C@@H](n3ncc(N)nc3=O)[C@@H](O)[C@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000008740117 553131809 /nfs/dbraw/zinc/13/18/09/553131809.db2.gz WINPBGKQLPWUPD-CPKBAGSISA-N 0 0 528.609 2.774 40 0 KFABRN Cc1ccc(C(OC[C@@H]2O[C@@H](n3ncc(N)nc3=O)[C@@H](O)[C@@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000008740118 553131903 /nfs/dbraw/zinc/13/19/03/553131903.db2.gz WINPBGKQLPWUPD-BRKVKBHOSA-N 0 0 528.609 2.774 40 0 KFABRN COc1c2ccoc2nc2c1ccc(O[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)c2OC ZINC000008740248 553132117 /nfs/dbraw/zinc/13/21/17/553132117.db2.gz VEPUODFCYPKQKH-ZYKPWPFASA-N 0 0 517.487 2.917 40 0 KFABRN COc1c2ccoc2nc2c1ccc(O[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)c2OC ZINC000008740249 553132145 /nfs/dbraw/zinc/13/21/45/553132145.db2.gz VEPUODFCYPKQKH-IXKIBIRISA-N 0 0 517.487 2.917 40 0 KFABRN COc1c2ccoc2nc2c1ccc(O[C@@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)c2OC ZINC000008740250 553132179 /nfs/dbraw/zinc/13/21/79/553132179.db2.gz VEPUODFCYPKQKH-IJBUEZQFSA-N 0 0 517.487 2.917 40 0 KFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)cc1OC ZINC000008763130 553137849 /nfs/dbraw/zinc/13/78/49/553137849.db2.gz HGAIELVGFRYCNP-DEOSSOPVSA-N 0 0 539.654 2.874 40 0 KFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)cc1OC ZINC000008763131 553137770 /nfs/dbraw/zinc/13/77/70/553137770.db2.gz HGAIELVGFRYCNP-XMMPIXPASA-N 0 0 539.654 2.874 40 0 KFABRN CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000008763162 553137807 /nfs/dbraw/zinc/13/78/07/553137807.db2.gz QMDSUZOAQMNIKS-UHFFFAOYSA-N 0 0 523.652 2.926 40 0 KFABRN COc1cc([C@H]2[C@@H](C(C)=O)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC(C)(C)OC3=O)ccc1OC(C)=O ZINC000008767376 553139780 /nfs/dbraw/zinc/13/97/80/553139780.db2.gz VESUMBFJRABQSF-YTFSRNRJSA-N 0 0 506.511 2.889 40 0 KFABRN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000008815809 553151701 /nfs/dbraw/zinc/15/17/01/553151701.db2.gz IDSCCSUMRGJBBE-UHFFFAOYSA-N 0 0 505.961 2.924 40 0 KFABRN CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000008856325 553167507 /nfs/dbraw/zinc/16/75/07/553167507.db2.gz DZVCIZYWXBFEKF-NJAFHUGGSA-N 0 0 512.726 2.944 40 0 KFABRN CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000008856328 553167579 /nfs/dbraw/zinc/16/75/79/553167579.db2.gz DZVCIZYWXBFEKF-NXHRZFHOSA-N 0 0 512.726 2.944 40 0 KFABRN NC(=S)c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCOCCO2 ZINC000008892757 553176754 /nfs/dbraw/zinc/17/67/54/553176754.db2.gz NVOWBWJGDPRNAY-UHFFFAOYSA-N 0 0 507.605 2.616 40 0 KFABRN O=Cc1ccc2c(c1)OCCOCCOCCOc1cc(C=O)ccc1OCCOCCOCCO2 ZINC000008892801 291771486 /nfs/dbraw/zinc/77/14/86/291771486.db2.gz LONBQJZWQFAIKM-UHFFFAOYSA-N 0 0 504.532 2.607 40 0 KFABRN Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)N(C)C)c1 ZINC000009694789 553299658 /nfs/dbraw/zinc/29/96/58/553299658.db2.gz NFVFWRSYTDDZKP-UHFFFAOYSA-N 0 0 508.666 2.730 40 0 KFABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(F)cc1 ZINC000009694803 553299628 /nfs/dbraw/zinc/29/96/28/553299628.db2.gz ODQBPWGFCMPGLG-UHFFFAOYSA-N 0 0 506.581 2.878 40 0 KFABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)cc1 ZINC000009694809 553299637 /nfs/dbraw/zinc/29/96/37/553299637.db2.gz ZICZPCBSWZWURM-UHFFFAOYSA-N 0 0 512.629 2.642 40 0 KFABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)cc1 ZINC000009694816 553299841 /nfs/dbraw/zinc/29/98/41/553299841.db2.gz DHARDWHZPGDYCX-UHFFFAOYSA-N 0 0 518.617 2.991 40 0 KFABRN O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(Cl)cc1)NCCCN1CCCC1=O ZINC000009831462 553309480 /nfs/dbraw/zinc/30/94/80/553309480.db2.gz RKQPDFSWCCCCDT-UHFFFAOYSA-N 0 0 506.994 2.807 40 0 KFABRN O=C(CCc1nnc2n1c1ccccc1c(=O)n2CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000009831559 553309742 /nfs/dbraw/zinc/30/97/42/553309742.db2.gz OWJJABFBLLVAIS-UHFFFAOYSA-N 0 0 524.581 2.797 40 0 KFABRN COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)cc(C(=O)OC)c1 ZINC000009926936 553316985 /nfs/dbraw/zinc/31/69/85/553316985.db2.gz WOVLFEMBJYTGKW-BHIFYINESA-N 0 0 525.533 2.680 40 0 KFABRN COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)NC2CCCCC2)cc(C(=O)OC)c1 ZINC000009926940 553316939 /nfs/dbraw/zinc/31/69/39/553316939.db2.gz NYAALBCKLNZTFN-BHIFYINESA-N 0 0 528.606 2.742 40 0 KFABRN COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)NC2CCCCC2)cc(C(=O)OC)c1 ZINC000009926942 553316987 /nfs/dbraw/zinc/31/69/87/553316987.db2.gz NYAALBCKLNZTFN-FDFHNCONSA-N 0 0 528.606 2.742 40 0 KFABRN COC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)/C=C/c3ccc(OC)c(OC)c3)n2C)c1 ZINC000010041125 553326615 /nfs/dbraw/zinc/32/66/15/553326615.db2.gz UOVSXCQZYMQREB-PKNBQFBNSA-N 0 0 525.587 2.679 40 0 KFABRN COC(=O)c1ccccc1NC(=O)CSc1nnc(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)n1C ZINC000010041218 553326595 /nfs/dbraw/zinc/32/65/95/553326595.db2.gz ZHPPROWAWFEYAF-ZRDIBKRKSA-N 0 0 525.587 2.679 40 0 KFABRN COC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)/C=C/c3ccc(OC)c(OC)c3)n2C)cc1 ZINC000010041398 553326805 /nfs/dbraw/zinc/32/68/05/553326805.db2.gz OIILVGSXWUHMTF-WUXMJOGZSA-N 0 0 525.587 2.679 40 0 KFABRN O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000010041530 553326825 /nfs/dbraw/zinc/32/68/25/553326825.db2.gz SYBDQSYXDTVEPS-XMMPIXPASA-N 0 0 500.960 2.902 40 0 KFABRN O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000010041532 553326835 /nfs/dbraw/zinc/32/68/35/553326835.db2.gz SYBDQSYXDTVEPS-DEOSSOPVSA-N 0 0 500.960 2.902 40 0 KFABRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1OC ZINC000010041579 553326962 /nfs/dbraw/zinc/32/69/62/553326962.db2.gz IKPDVOZMYBMATR-VZUCSPMQSA-N 0 0 512.548 2.801 40 0 KFABRN COc1ccc(C(=O)[C@@H](OC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000010041920 553326992 /nfs/dbraw/zinc/32/69/92/553326992.db2.gz MYVUPDSHFSDZEI-SANMLTNESA-N 0 0 510.568 2.566 40 0 KFABRN COc1ccc(C(=O)[C@H](OC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000010041921 553326958 /nfs/dbraw/zinc/32/69/58/553326958.db2.gz MYVUPDSHFSDZEI-AREMUKBSSA-N 0 0 510.568 2.566 40 0 KFABRN CC(=O)Oc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000010042596 553327113 /nfs/dbraw/zinc/32/71/13/553327113.db2.gz RQPBXPWNYHXCLC-UHFFFAOYSA-N 0 0 500.463 2.568 40 0 KFABRN C[C@@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1S(=O)(=O)c1ccc(Br)cc1 ZINC000010119324 553329812 /nfs/dbraw/zinc/32/98/12/553329812.db2.gz UURPHDOSFJWGGT-CQSZACIVSA-N 0 0 501.424 2.610 40 0 KFABRN C[C@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1S(=O)(=O)c1ccc(Br)cc1 ZINC000010119325 553329855 /nfs/dbraw/zinc/32/98/55/553329855.db2.gz UURPHDOSFJWGGT-AWEZNQCLSA-N 0 0 501.424 2.610 40 0 KFABRN O=S(=O)(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Br)cc1)N1CCOCC1 ZINC000010119326 553329829 /nfs/dbraw/zinc/32/98/29/553329829.db2.gz ZPRPPKVAJBWXLJ-UHFFFAOYSA-N 0 0 501.424 2.612 40 0 KFABRN O=C(Nc1ccc2c(c1)OCCOCCOCCO2)Nc1ccc2c(c1)OCCOCCOCCO2 ZINC000010150618 553330387 /nfs/dbraw/zinc/33/03/87/553330387.db2.gz SWCVOWBRLGVSPN-UHFFFAOYSA-N 0 0 504.536 2.939 40 0 KFABRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(c3cccc(Cl)c3)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000010157502 553330352 /nfs/dbraw/zinc/33/03/52/553330352.db2.gz NLWYQXZHLJPCAV-YADHBBJMSA-N 0 0 500.983 2.886 40 0 KFABRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(c3cccc(Cl)c3)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000010157503 553330359 /nfs/dbraw/zinc/33/03/59/553330359.db2.gz NLWYQXZHLJPCAV-VXKWHMMOSA-N 0 0 500.983 2.886 40 0 KFABRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(c3cccc(Cl)c3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000010157504 553330307 /nfs/dbraw/zinc/33/03/07/553330307.db2.gz NLWYQXZHLJPCAV-FGZHOGPDSA-N 0 0 500.983 2.886 40 0 KFABRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(c3cccc(Cl)c3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000010157505 553330344 /nfs/dbraw/zinc/33/03/44/553330344.db2.gz NLWYQXZHLJPCAV-FCHUYYIVSA-N 0 0 500.983 2.886 40 0 KFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(OC)c(OC)c2)C1C(=O)c1ccc(Br)cc1 ZINC000010232009 553330769 /nfs/dbraw/zinc/33/07/69/553330769.db2.gz DLNMCVQSEJTKCN-GOSISDBHSA-N 0 0 500.309 2.778 40 0 KFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(OC)c(OC)c2)C1C(=O)c1ccc(Br)cc1 ZINC000010232010 553330759 /nfs/dbraw/zinc/33/07/59/553330759.db2.gz DLNMCVQSEJTKCN-SFHVURJKSA-N 0 0 500.309 2.778 40 0 KFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(OC)cc2OC)C1C(=O)c1ccc(Br)cc1 ZINC000010232011 553330763 /nfs/dbraw/zinc/33/07/63/553330763.db2.gz WXKIRVIKHIETEI-GOSISDBHSA-N 0 0 500.309 2.778 40 0 KFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(OC)cc2OC)C1C(=O)c1ccc(Br)cc1 ZINC000010232012 553330738 /nfs/dbraw/zinc/33/07/38/553330738.db2.gz WXKIRVIKHIETEI-SFHVURJKSA-N 0 0 500.309 2.778 40 0 KFABRN COC(=O)C1=Nc2nnnn2[C@H](c2cc(OC)ccc2OC)C1C(=O)c1ccc(Br)cc1 ZINC000010232013 553330727 /nfs/dbraw/zinc/33/07/27/553330727.db2.gz XMSNRXOXYUXJRN-GOSISDBHSA-N 0 0 500.309 2.778 40 0 KFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2cc(OC)ccc2OC)C1C(=O)c1ccc(Br)cc1 ZINC000010232014 553330746 /nfs/dbraw/zinc/33/07/46/553330746.db2.gz XMSNRXOXYUXJRN-SFHVURJKSA-N 0 0 500.309 2.778 40 0 KFABRN CCOc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(C(=O)OC)=Nc3nnnn32)ccc1O ZINC000010232021 553330751 /nfs/dbraw/zinc/33/07/51/553330751.db2.gz RVICYOCNJODODA-GOSISDBHSA-N 0 0 500.309 2.865 40 0 KFABRN CCOc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)C(C(=O)OC)=Nc3nnnn32)ccc1O ZINC000010232022 553330772 /nfs/dbraw/zinc/33/07/72/553330772.db2.gz RVICYOCNJODODA-SFHVURJKSA-N 0 0 500.309 2.865 40 0 KFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(Br)cc2)C1C(=O)c1ccc(OC)c(OC)c1 ZINC000010232357 553330764 /nfs/dbraw/zinc/33/07/64/553330764.db2.gz AQBYDEZNUPKXIK-GOSISDBHSA-N 0 0 500.309 2.778 40 0 KFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(Br)cc2)C1C(=O)c1ccc(OC)c(OC)c1 ZINC000010232358 553330843 /nfs/dbraw/zinc/33/08/43/553330843.db2.gz AQBYDEZNUPKXIK-SFHVURJKSA-N 0 0 500.309 2.778 40 0 KFABRN COC(=O)C1=Nc2nnnn2[C@H](c2cccc(Br)c2)C1C(=O)c1ccc(OC)c(OC)c1 ZINC000010232387 553330893 /nfs/dbraw/zinc/33/08/93/553330893.db2.gz BYCSXYIOWNLBDU-GOSISDBHSA-N 0 0 500.309 2.778 40 0 KFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2cccc(Br)c2)C1C(=O)c1ccc(OC)c(OC)c1 ZINC000010232388 553330830 /nfs/dbraw/zinc/33/08/30/553330830.db2.gz BYCSXYIOWNLBDU-SFHVURJKSA-N 0 0 500.309 2.778 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)CC2)cc1 ZINC000010288033 553331580 /nfs/dbraw/zinc/33/15/80/553331580.db2.gz LALNLNNBYPOQSY-UHFFFAOYSA-N 0 0 520.460 2.601 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(Cl)cc3Cl)S(C)(=O)=O)CC2)cc1 ZINC000010288285 553331722 /nfs/dbraw/zinc/33/17/22/553331722.db2.gz IYQSRCFZPWSWNB-UHFFFAOYSA-N 0 0 520.460 2.601 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1 ZINC000010288652 553331737 /nfs/dbraw/zinc/33/17/37/553331737.db2.gz IVSSINNZSKTQQH-UHFFFAOYSA-N 0 0 505.662 2.625 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)CC2)cc1 ZINC000010288707 553331734 /nfs/dbraw/zinc/33/17/34/553331734.db2.gz GKXMOMMQEVYBTH-UHFFFAOYSA-N 0 0 512.053 2.580 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(C(C)(C)C)cc3)S(C)(=O)=O)CC2)cc1 ZINC000010288812 553331754 /nfs/dbraw/zinc/33/17/54/553331754.db2.gz AYJIHTYQMCHBBB-UHFFFAOYSA-N 0 0 507.678 2.592 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3C)CC2)cc1 ZINC000010289035 553331778 /nfs/dbraw/zinc/33/17/78/553331778.db2.gz MEVBCZDQAGLBLW-UHFFFAOYSA-N 0 0 519.689 2.871 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCN(c3cc(C)ccc3C)S(C)(=O)=O)CC2)cc1 ZINC000010289176 553331767 /nfs/dbraw/zinc/33/17/67/553331767.db2.gz QRECLCGSKUBONP-UHFFFAOYSA-N 0 0 507.678 2.691 40 0 KFABRN CCOC(=O)N1CCN(C(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000010300126 553332133 /nfs/dbraw/zinc/33/21/33/553332133.db2.gz SLJBISYSZXVDER-UHFFFAOYSA-N 0 0 505.593 2.508 40 0 KFABRN CCOC(=O)N1CCN(C(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000010300353 553332128 /nfs/dbraw/zinc/33/21/28/553332128.db2.gz SVVQBOPXPOBZKN-UHFFFAOYSA-N 0 0 519.620 2.898 40 0 KFABRN CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OCC)c(C)c2)CC1 ZINC000010301733 553332482 /nfs/dbraw/zinc/33/24/82/553332482.db2.gz IEXGXPVVQDEJIW-UHFFFAOYSA-N 0 0 503.621 2.885 40 0 KFABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)cc1Cl ZINC000010324506 553333469 /nfs/dbraw/zinc/33/34/69/553333469.db2.gz BASDQWQBVLCHSG-UHFFFAOYSA-N 0 0 515.057 2.906 40 0 KFABRN CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000010328171 553333825 /nfs/dbraw/zinc/33/38/25/553333825.db2.gz VVGOHFGMIVZOEQ-UHFFFAOYSA-N 0 0 501.030 2.598 40 0 KFABRN COc1ccc(N(CCCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1Cl ZINC000010328937 553333786 /nfs/dbraw/zinc/33/37/86/553333786.db2.gz UERXCBPZNWGKGE-UHFFFAOYSA-N 0 0 504.030 2.929 40 0 KFABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000010331858 553334069 /nfs/dbraw/zinc/33/40/69/553334069.db2.gz NLDYZPCZENFZRS-UHFFFAOYSA-N 0 0 515.057 2.906 40 0 KFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000010333300 553334160 /nfs/dbraw/zinc/33/41/60/553334160.db2.gz ZNNSOTWCPPZOQT-LBPRGKRZSA-N 0 0 500.957 2.946 40 0 KFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000010333305 553334203 /nfs/dbraw/zinc/33/42/03/553334203.db2.gz ZNNSOTWCPPZOQT-GFCCVEGCSA-N 0 0 500.957 2.946 40 0 KFABRN O=C(C[C@@H]1C(=O)NCCN1C(=S)Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 ZINC000010339337 553335045 /nfs/dbraw/zinc/33/50/45/553335045.db2.gz PEFYUUKABGRLFX-HXUWFJFHSA-N 0 0 505.566 2.942 40 0 KFABRN O=C(C[C@H]1C(=O)NCCN1C(=S)Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 ZINC000010339338 553335072 /nfs/dbraw/zinc/33/50/72/553335072.db2.gz PEFYUUKABGRLFX-FQEVSTJZSA-N 0 0 505.566 2.942 40 0 KFABRN CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)CC1 ZINC000010366420 553335676 /nfs/dbraw/zinc/33/56/76/553335676.db2.gz OCBZTSUVLIEIMH-UHFFFAOYSA-N 0 0 501.030 2.598 40 0 KFABRN CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)CC1 ZINC000010367033 553335646 /nfs/dbraw/zinc/33/56/46/553335646.db2.gz UQIQSDVSAILUNZ-UHFFFAOYSA-N 0 0 501.030 2.598 40 0 KFABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000010369641 553335863 /nfs/dbraw/zinc/33/58/63/553335863.db2.gz XHHMJFUKOLTSEC-UHFFFAOYSA-N 0 0 515.057 2.906 40 0 KFABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 ZINC000010441177 553336455 /nfs/dbraw/zinc/33/64/55/553336455.db2.gz LJGOGOFVXSKOSS-UHFFFAOYSA-N 0 0 502.330 2.873 40 0 KFABRN CCOc1ccc(N(CC(=O)N2CCC(C(=O)OC)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000010542029 553337624 /nfs/dbraw/zinc/33/76/24/553337624.db2.gz ZFIOJFIMGODNJR-UHFFFAOYSA-N 0 0 520.604 2.709 40 0 KFABRN COC(=O)C1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000010542092 553337628 /nfs/dbraw/zinc/33/76/28/553337628.db2.gz VAYBTRVMWCGZRZ-UHFFFAOYSA-N 0 0 510.996 2.964 40 0 KFABRN COc1ccc(C(NC(=O)CSC2=NCCS2)NC(=O)CSC2=NCCS2)cc1OC ZINC000012042523 553350343 /nfs/dbraw/zinc/35/03/43/553350343.db2.gz WVADYDKMSUCXSW-UHFFFAOYSA-N 0 0 500.693 2.607 40 0 KFABRN CC(C)C(=O)N1C(=O)c2cccc3c2c1c(S(=O)(=O)N1CCCC1)cc3S(=O)(=O)N1CCCC1 ZINC000012293345 553356742 /nfs/dbraw/zinc/35/67/42/553356742.db2.gz ULFRIJIHPPJCHW-UHFFFAOYSA-N 0 0 505.618 2.552 40 0 KFABRN O=C(c1ccc2c(c1)OCCOCCOCCO2)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000012375073 553360949 /nfs/dbraw/zinc/36/09/49/553360949.db2.gz LYKXMGLSXVUNOG-UHFFFAOYSA-N 0 0 518.559 2.543 40 0 KFABRN COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C ZINC000012467341 553367634 /nfs/dbraw/zinc/36/76/34/553367634.db2.gz RPEGHNOCRCYTFT-NRFANRHFSA-N 0 0 511.604 2.600 40 0 KFABRN COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C ZINC000012467344 553367649 /nfs/dbraw/zinc/36/76/49/553367649.db2.gz RPEGHNOCRCYTFT-OAQYLSRUSA-N 0 0 511.604 2.600 40 0 KFABRN COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C ZINC000012467348 553367643 /nfs/dbraw/zinc/36/76/43/553367643.db2.gz ALJORNYWGHYQOD-NRFANRHFSA-N 0 0 511.604 2.600 40 0 KFABRN COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C ZINC000012467353 553367636 /nfs/dbraw/zinc/36/76/36/553367636.db2.gz ALJORNYWGHYQOD-OAQYLSRUSA-N 0 0 511.604 2.600 40 0 KFABRN COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C ZINC000012467358 553367657 /nfs/dbraw/zinc/36/76/57/553367657.db2.gz IYOHZNQHQJDKFJ-NRFANRHFSA-N 0 0 511.604 2.600 40 0 KFABRN COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C ZINC000012467362 553367638 /nfs/dbraw/zinc/36/76/38/553367638.db2.gz IYOHZNQHQJDKFJ-OAQYLSRUSA-N 0 0 511.604 2.600 40 0 KFABRN COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1 ZINC000012467367 553367647 /nfs/dbraw/zinc/36/76/47/553367647.db2.gz OYBMMMJTPUKAHM-NRFANRHFSA-N 0 0 511.604 2.600 40 0 KFABRN COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1 ZINC000012467371 553367632 /nfs/dbraw/zinc/36/76/32/553367632.db2.gz OYBMMMJTPUKAHM-OAQYLSRUSA-N 0 0 511.604 2.600 40 0 KFABRN COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1 ZINC000012467380 553367637 /nfs/dbraw/zinc/36/76/37/553367637.db2.gz RXHSNIFGEBZYSO-NRFANRHFSA-N 0 0 511.604 2.600 40 0 KFABRN COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1 ZINC000012467385 553367650 /nfs/dbraw/zinc/36/76/50/553367650.db2.gz RXHSNIFGEBZYSO-OAQYLSRUSA-N 0 0 511.604 2.600 40 0 KFABRN COCCNC(=O)[C@H](c1ccc(C)o1)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N ZINC000012467596 553367834 /nfs/dbraw/zinc/36/78/34/553367834.db2.gz IVCOPHFMBCPDPO-SFHVURJKSA-N 0 0 505.984 2.525 40 0 KFABRN COCCNC(=O)[C@@H](c1ccc(C)o1)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N ZINC000012467602 553367855 /nfs/dbraw/zinc/36/78/55/553367855.db2.gz IVCOPHFMBCPDPO-GOSISDBHSA-N 0 0 505.984 2.525 40 0 KFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc32)c1N ZINC000012467747 553367836 /nfs/dbraw/zinc/36/78/36/553367836.db2.gz NZTUEHLMGIVIKN-KSFYIVLOSA-N 0 0 518.599 2.989 40 0 KFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc32)c1N ZINC000012467754 553367810 /nfs/dbraw/zinc/36/78/10/553367810.db2.gz NZTUEHLMGIVIKN-AOMKIAJQSA-N 0 0 518.599 2.989 40 0 KFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc32)c1N ZINC000012467760 553367864 /nfs/dbraw/zinc/36/78/64/553367864.db2.gz NZTUEHLMGIVIKN-OPAMFIHVSA-N 0 0 518.599 2.989 40 0 KFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc32)c1N ZINC000012467766 553367792 /nfs/dbraw/zinc/36/77/92/553367792.db2.gz NZTUEHLMGIVIKN-ZHRRBRCNSA-N 0 0 518.599 2.989 40 0 KFABRN COc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC ZINC000012471243 553368378 /nfs/dbraw/zinc/36/83/78/553368378.db2.gz UDSYUSLXQDBMGH-UHFFFAOYSA-N 0 0 508.510 2.747 40 0 KFABRN Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC2CCCC2)c2ccc3c(c2)OCCO3)cc1 ZINC000012473028 553368705 /nfs/dbraw/zinc/36/87/05/553368705.db2.gz GBZJJIJFGDAQCH-PSXMRANNSA-N 0 0 513.616 2.545 40 0 KFABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012473148 553368965 /nfs/dbraw/zinc/36/89/65/553368965.db2.gz VAFBBKYGYMPVNF-LAUBAEHRSA-N 0 0 511.579 2.955 40 0 KFABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012473152 553368906 /nfs/dbraw/zinc/36/89/06/553368906.db2.gz VAFBBKYGYMPVNF-UWJYYQICSA-N 0 0 511.579 2.955 40 0 KFABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012473159 553368953 /nfs/dbraw/zinc/36/89/53/553368953.db2.gz VAFBBKYGYMPVNF-DYESRHJHSA-N 0 0 511.579 2.955 40 0 KFABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012473165 553368889 /nfs/dbraw/zinc/36/88/89/553368889.db2.gz VAFBBKYGYMPVNF-UTKZUKDTSA-N 0 0 511.579 2.955 40 0 KFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000012473299 553369084 /nfs/dbraw/zinc/36/90/84/553369084.db2.gz VGDWRNONWIHSNH-MGPUTAFESA-N 0 0 515.542 2.786 40 0 KFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000012473305 553369087 /nfs/dbraw/zinc/36/90/87/553369087.db2.gz VGDWRNONWIHSNH-YWZLYKJASA-N 0 0 515.542 2.786 40 0 KFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000012473311 553369088 /nfs/dbraw/zinc/36/90/88/553369088.db2.gz VGDWRNONWIHSNH-FOIQADDNSA-N 0 0 515.542 2.786 40 0 KFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000012473317 553369101 /nfs/dbraw/zinc/36/91/01/553369101.db2.gz VGDWRNONWIHSNH-QRWLVFNGSA-N 0 0 515.542 2.786 40 0 KFABRN Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC2CCCCC2)c2ccc3c(c2)OCCO3)cc1 ZINC000012473533 553369350 /nfs/dbraw/zinc/36/93/50/553369350.db2.gz DWONMGOJQXATEP-DIPNUNPCSA-N 0 0 527.643 2.936 40 0 KFABRN CCOC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(C)cc1)[C@@H](CC(C)C)C(=O)NC1CCCCC1 ZINC000012473821 553369687 /nfs/dbraw/zinc/36/96/87/553369687.db2.gz JUZPRTXJCGFKLC-VCIAFVEDSA-N 0 0 535.707 2.938 40 0 KFABRN CCOC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(C)cc1)[C@H](CC(C)C)C(=O)NC1CCCCC1 ZINC000012473826 553369716 /nfs/dbraw/zinc/36/97/16/553369716.db2.gz JUZPRTXJCGFKLC-FPHJQGEJSA-N 0 0 535.707 2.938 40 0 KFABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(O)cc1 ZINC000012473885 553369717 /nfs/dbraw/zinc/36/97/17/553369717.db2.gz SKEYFTWNKYGHNU-LAUBAEHRSA-N 0 0 509.588 2.522 40 0 KFABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(O)cc1 ZINC000012473891 553369676 /nfs/dbraw/zinc/36/96/76/553369676.db2.gz SKEYFTWNKYGHNU-UWJYYQICSA-N 0 0 509.588 2.522 40 0 KFABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(O)cc1 ZINC000012473896 553369697 /nfs/dbraw/zinc/36/96/97/553369697.db2.gz SKEYFTWNKYGHNU-DYESRHJHSA-N 0 0 509.588 2.522 40 0 KFABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(O)cc1 ZINC000012473901 553369718 /nfs/dbraw/zinc/36/97/18/553369718.db2.gz SKEYFTWNKYGHNU-UTKZUKDTSA-N 0 0 509.588 2.522 40 0 KFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000012473908 553369713 /nfs/dbraw/zinc/36/97/13/553369713.db2.gz HWMVWOPGMJSTNB-GHTZIAJQSA-N 0 0 509.588 2.522 40 0 KFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000012473912 553369692 /nfs/dbraw/zinc/36/96/92/553369692.db2.gz HWMVWOPGMJSTNB-RXVVDRJESA-N 0 0 509.588 2.522 40 0 KFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000012473917 553369695 /nfs/dbraw/zinc/36/96/95/553369695.db2.gz HWMVWOPGMJSTNB-WIYYLYMNSA-N 0 0 509.588 2.522 40 0 KFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000012473923 553369673 /nfs/dbraw/zinc/36/96/73/553369673.db2.gz HWMVWOPGMJSTNB-NQIIRXRSSA-N 0 0 509.588 2.522 40 0 KFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1 ZINC000012473927 553369699 /nfs/dbraw/zinc/36/96/99/553369699.db2.gz YLMZOTNBRWDHLM-GHTZIAJQSA-N 0 0 509.588 2.522 40 0 KFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1 ZINC000012473934 553369690 /nfs/dbraw/zinc/36/96/90/553369690.db2.gz YLMZOTNBRWDHLM-RXVVDRJESA-N 0 0 509.588 2.522 40 0 KFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1 ZINC000012473939 553369681 /nfs/dbraw/zinc/36/96/81/553369681.db2.gz YLMZOTNBRWDHLM-WIYYLYMNSA-N 0 0 509.588 2.522 40 0 KFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1 ZINC000012473943 553369708 /nfs/dbraw/zinc/36/97/08/553369708.db2.gz YLMZOTNBRWDHLM-NQIIRXRSSA-N 0 0 509.588 2.522 40 0 KFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1C ZINC000012473947 553369711 /nfs/dbraw/zinc/36/97/11/553369711.db2.gz LGFHNBIFXFXLFJ-PGRDOPGGSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1C ZINC000012473953 553369709 /nfs/dbraw/zinc/36/97/09/553369709.db2.gz LGFHNBIFXFXLFJ-AVRDEDQJSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1C ZINC000012473958 553369706 /nfs/dbraw/zinc/36/97/06/553369706.db2.gz LGFHNBIFXFXLFJ-XMSQKQJNSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1C ZINC000012473965 553369714 /nfs/dbraw/zinc/36/97/14/553369714.db2.gz LGFHNBIFXFXLFJ-GCJKJVERSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c(C)c1 ZINC000012473972 553369701 /nfs/dbraw/zinc/36/97/01/553369701.db2.gz PFEYKUIBCNWITE-PGRDOPGGSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c(C)c1 ZINC000012473977 553369715 /nfs/dbraw/zinc/36/97/15/553369715.db2.gz PFEYKUIBCNWITE-AVRDEDQJSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c(C)c1 ZINC000012473983 553369685 /nfs/dbraw/zinc/36/96/85/553369685.db2.gz PFEYKUIBCNWITE-XMSQKQJNSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c(C)c1 ZINC000012473989 553369712 /nfs/dbraw/zinc/36/97/12/553369712.db2.gz PFEYKUIBCNWITE-GCJKJVERSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000012473992 553369853 /nfs/dbraw/zinc/36/98/53/553369853.db2.gz IDOWGFVJUFVHLU-PGRDOPGGSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000012473997 553369780 /nfs/dbraw/zinc/36/97/80/553369780.db2.gz IDOWGFVJUFVHLU-AVRDEDQJSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000012474002 553369835 /nfs/dbraw/zinc/36/98/35/553369835.db2.gz IDOWGFVJUFVHLU-XMSQKQJNSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000012474006 553369840 /nfs/dbraw/zinc/36/98/40/553369840.db2.gz IDOWGFVJUFVHLU-GCJKJVERSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1C ZINC000012474012 553369819 /nfs/dbraw/zinc/36/98/19/553369819.db2.gz HIENZCIGFSCHSB-SIKLNZKXSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1C ZINC000012474017 553369798 /nfs/dbraw/zinc/36/97/98/553369798.db2.gz HIENZCIGFSCHSB-UGKGYDQZSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1C ZINC000012474022 553369832 /nfs/dbraw/zinc/36/98/32/553369832.db2.gz HIENZCIGFSCHSB-DENIHFKCSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1C ZINC000012474027 553369791 /nfs/dbraw/zinc/36/97/91/553369791.db2.gz HIENZCIGFSCHSB-KNQAVFIVSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000012474031 553369859 /nfs/dbraw/zinc/36/98/59/553369859.db2.gz UBXXNLUAACSIEY-SIKLNZKXSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000012474036 553369788 /nfs/dbraw/zinc/36/97/88/553369788.db2.gz UBXXNLUAACSIEY-UGKGYDQZSA-N 0 0 523.615 2.830 40 0 KFABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000012474042 553369826 /nfs/dbraw/zinc/36/98/26/553369826.db2.gz UBXXNLUAACSIEY-DENIHFKCSA-N 0 0 523.615 2.830 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COc1ccc([C@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 ZINC000012477754 553372733 /nfs/dbraw/zinc/37/27/33/553372733.db2.gz KYXFKGKCNYEYIQ-NZQKXSOJSA-N 0 0 510.595 2.914 40 0 KFABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 ZINC000012477758 553372739 /nfs/dbraw/zinc/37/27/39/553372739.db2.gz KYXFKGKCNYEYIQ-REWPJTCUSA-N 0 0 510.595 2.914 40 0 KFABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 ZINC000012477766 553372705 /nfs/dbraw/zinc/37/27/05/553372705.db2.gz KYXFKGKCNYEYIQ-NFBKMPQASA-N 0 0 510.595 2.914 40 0 KFABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 ZINC000012477772 553372677 /nfs/dbraw/zinc/37/26/77/553372677.db2.gz KYXFKGKCNYEYIQ-OFNKIYASSA-N 0 0 510.595 2.914 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3cc(C)ccc3OC)n2)cc1OC ZINC000012479200 553373616 /nfs/dbraw/zinc/37/36/16/553373616.db2.gz LTRQACOHFAADHH-UHFFFAOYSA-N 0 0 510.595 2.870 40 0 KFABRN 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COc1cccc(N(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000012701614 553413627 /nfs/dbraw/zinc/41/36/27/553413627.db2.gz GWYAKSQPNRXANF-KRWDZBQOSA-N 0 0 508.579 2.846 40 0 KFABRN COc1cccc(N(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000012701621 553413567 /nfs/dbraw/zinc/41/35/67/553413567.db2.gz GWYAKSQPNRXANF-QGZVFWFLSA-N 0 0 508.579 2.846 40 0 KFABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000012701636 553413545 /nfs/dbraw/zinc/41/35/45/553413545.db2.gz PGNHHCKFYQWYKP-KRWDZBQOSA-N 0 0 508.579 2.846 40 0 KFABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000012701640 553413679 /nfs/dbraw/zinc/41/36/79/553413679.db2.gz PGNHHCKFYQWYKP-QGZVFWFLSA-N 0 0 508.579 2.846 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(CCCO)[C@@H](C(=O)NC3CCCC3)c3ccc(C)cc3)n2)cc1 ZINC000012701912 553413703 /nfs/dbraw/zinc/41/37/03/553413703.db2.gz QSMYOUPHAJZSID-RUZDIDTESA-N 0 0 506.607 2.668 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(CCCO)[C@H](C(=O)NC3CCCC3)c3ccc(C)cc3)n2)cc1 ZINC000012701917 553413726 /nfs/dbraw/zinc/41/37/26/553413726.db2.gz QSMYOUPHAJZSID-VWLOTQADSA-N 0 0 506.607 2.668 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCCO)[C@@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1 ZINC000012702301 553413886 /nfs/dbraw/zinc/41/38/86/553413886.db2.gz AWODRHKYLYHHBF-JOCHJYFZSA-N 0 0 500.987 2.906 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCCO)[C@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1 ZINC000012702307 553413912 /nfs/dbraw/zinc/41/39/12/553413912.db2.gz AWODRHKYLYHHBF-QFIPXVFZSA-N 0 0 500.987 2.906 40 0 KFABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@@H]1CCCO1)[C@@H](C(=O)NC1CCCC1)c1ccc(O)cc1 ZINC000012702705 553414257 /nfs/dbraw/zinc/41/42/57/553414257.db2.gz LIJZFSLTADFKIA-UKILVPOCSA-N 0 0 522.581 2.993 40 0 KFABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@@H]1CCCO1)[C@H](C(=O)NC1CCCC1)c1ccc(O)cc1 ZINC000012702713 553414248 /nfs/dbraw/zinc/41/42/48/553414248.db2.gz LIJZFSLTADFKIA-ZCYQVOJMSA-N 0 0 522.581 2.993 40 0 KFABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@H]1CCCO1)[C@@H](C(=O)NC1CCCC1)c1ccc(O)cc1 ZINC000012702720 553414236 /nfs/dbraw/zinc/41/42/36/553414236.db2.gz LIJZFSLTADFKIA-ILBGXUMGSA-N 0 0 522.581 2.993 40 0 KFABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@H]1CCCO1)[C@H](C(=O)NC1CCCC1)c1ccc(O)cc1 ZINC000012702727 553414262 /nfs/dbraw/zinc/41/42/62/553414262.db2.gz LIJZFSLTADFKIA-NOZRDPDXSA-N 0 0 522.581 2.993 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012702735 553414226 /nfs/dbraw/zinc/41/42/26/553414226.db2.gz JOXMQHYXXWCKDR-XUZZJYLKSA-N 0 0 508.579 2.755 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012702741 553414255 /nfs/dbraw/zinc/41/42/55/553414255.db2.gz JOXMQHYXXWCKDR-ZJSXRUAMSA-N 0 0 508.579 2.755 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012702747 553414241 /nfs/dbraw/zinc/41/42/41/553414241.db2.gz JOXMQHYXXWCKDR-URXFXBBRSA-N 0 0 508.579 2.755 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012702754 553414272 /nfs/dbraw/zinc/41/42/72/553414272.db2.gz JOXMQHYXXWCKDR-QPPBQGQZSA-N 0 0 508.579 2.755 40 0 KFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1OC ZINC000012703764 553414938 /nfs/dbraw/zinc/41/49/38/553414938.db2.gz JLYSNZYTKSISHK-HXUWFJFHSA-N 0 0 513.576 2.881 40 0 KFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1OC ZINC000012703768 553414986 /nfs/dbraw/zinc/41/49/86/553414986.db2.gz JLYSNZYTKSISHK-FQEVSTJZSA-N 0 0 513.576 2.881 40 0 KFABRN COc1ccc(CCN(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC ZINC000012704775 553415505 /nfs/dbraw/zinc/41/55/05/553415505.db2.gz MSQBXEGZOLQLNJ-UHFFFAOYSA-N 0 0 510.595 2.779 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3ccccc3OC)n2)cc1OC ZINC000012705051 553415433 /nfs/dbraw/zinc/41/54/33/553415433.db2.gz MPPRJJDZTGOFJZ-UHFFFAOYSA-N 0 0 508.579 2.848 40 0 KFABRN COc1cccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)c1 ZINC000012705069 553415423 /nfs/dbraw/zinc/41/54/23/553415423.db2.gz DIFYCBCGQKEYQX-UHFFFAOYSA-N 0 0 508.579 2.848 40 0 KFABRN COc1ccc(N(CC(=O)NCc2ccccc2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1OC ZINC000012705695 553415820 /nfs/dbraw/zinc/41/58/20/553415820.db2.gz SRKIUOGURLZNAJ-UHFFFAOYSA-N 0 0 504.522 2.846 40 0 KFABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1 ZINC000012706199 553416020 /nfs/dbraw/zinc/41/60/20/553416020.db2.gz OZNIMYVHNSXFJF-GHTZIAJQSA-N 0 0 511.579 2.955 40 0 KFABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1 ZINC000012706206 553416041 /nfs/dbraw/zinc/41/60/41/553416041.db2.gz OZNIMYVHNSXFJF-RXVVDRJESA-N 0 0 511.579 2.955 40 0 KFABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1 ZINC000012706214 553416021 /nfs/dbraw/zinc/41/60/21/553416021.db2.gz OZNIMYVHNSXFJF-WIYYLYMNSA-N 0 0 511.579 2.955 40 0 KFABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1 ZINC000012706221 553416030 /nfs/dbraw/zinc/41/60/30/553416030.db2.gz OZNIMYVHNSXFJF-NQIIRXRSSA-N 0 0 511.579 2.955 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)c1 ZINC000012706227 553416037 /nfs/dbraw/zinc/41/60/37/553416037.db2.gz MHJVWYBKLHGAAD-SIKLNZKXSA-N 0 0 523.615 2.825 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)c1 ZINC000012706234 553416015 /nfs/dbraw/zinc/41/60/15/553416015.db2.gz MHJVWYBKLHGAAD-UGKGYDQZSA-N 0 0 523.615 2.825 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)c1 ZINC000012706241 553416046 /nfs/dbraw/zinc/41/60/46/553416046.db2.gz MHJVWYBKLHGAAD-DENIHFKCSA-N 0 0 523.615 2.825 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)c1 ZINC000012706248 553416048 /nfs/dbraw/zinc/41/60/48/553416048.db2.gz MHJVWYBKLHGAAD-KNQAVFIVSA-N 0 0 523.615 2.825 40 0 KFABRN Cc1ccc(C)c(N(CC(=O)NC(C)(C)C)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000012708585 553416251 /nfs/dbraw/zinc/41/62/51/553416251.db2.gz RSGCDHVGZUXZTH-DHUJRADRSA-N 0 0 501.605 2.667 40 0 KFABRN Cc1cccc(N(CC(=O)NC(C)(C)C)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1C ZINC000012708615 553416297 /nfs/dbraw/zinc/41/62/97/553416297.db2.gz BQRWIZFBQJHPRQ-DHUJRADRSA-N 0 0 501.605 2.667 40 0 KFABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F ZINC000012708885 553416501 /nfs/dbraw/zinc/41/65/01/553416501.db2.gz JSTODYCWGVBITQ-GEFOQTLXSA-N 0 0 505.568 2.578 40 0 KFABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F ZINC000012708892 553416525 /nfs/dbraw/zinc/41/65/25/553416525.db2.gz JSTODYCWGVBITQ-HXQCJVTRSA-N 0 0 505.568 2.578 40 0 KFABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000012708944 553416498 /nfs/dbraw/zinc/41/64/98/553416498.db2.gz BGPYPFNJZWPPLU-GEFOQTLXSA-N 0 0 505.568 2.578 40 0 KFABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000012708951 553416470 /nfs/dbraw/zinc/41/64/70/553416470.db2.gz BGPYPFNJZWPPLU-HXQCJVTRSA-N 0 0 505.568 2.578 40 0 KFABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000012708967 553416537 /nfs/dbraw/zinc/41/65/37/553416537.db2.gz WZYMUCAFZFVYKZ-GEFOQTLXSA-N 0 0 505.568 2.578 40 0 KFABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000012708976 553416518 /nfs/dbraw/zinc/41/65/18/553416518.db2.gz WZYMUCAFZFVYKZ-HXQCJVTRSA-N 0 0 505.568 2.578 40 0 KFABRN Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1C ZINC000012709274 553416459 /nfs/dbraw/zinc/41/64/59/553416459.db2.gz LUCONPOCZAYUQQ-PSXMRANNSA-N 0 0 513.616 2.811 40 0 KFABRN Cc1ccccc1N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)[C@H](C)C(=O)NC1CCCC1 ZINC000012709526 553416488 /nfs/dbraw/zinc/41/64/88/553416488.db2.gz IRAFLPRTEULCPU-QCNWMPOZSA-N 0 0 513.616 2.891 40 0 KFABRN Cc1ccccc1N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)C(=O)NC1CCCC1 ZINC000012709529 553416551 /nfs/dbraw/zinc/41/65/51/553416551.db2.gz IRAFLPRTEULCPU-DVBGFMBJSA-N 0 0 513.616 2.891 40 0 KFABRN Cc1cccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000012709544 553416548 /nfs/dbraw/zinc/41/65/48/553416548.db2.gz JCIFNFBIRDXASH-QCNWMPOZSA-N 0 0 513.616 2.891 40 0 KFABRN Cc1cccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000012709548 553416509 /nfs/dbraw/zinc/41/65/09/553416509.db2.gz JCIFNFBIRDXASH-DVBGFMBJSA-N 0 0 513.616 2.891 40 0 KFABRN Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000012709580 553416768 /nfs/dbraw/zinc/41/67/68/553416768.db2.gz RPQZFLFJJLNZBK-QCNWMPOZSA-N 0 0 513.616 2.891 40 0 KFABRN Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000012709584 553416753 /nfs/dbraw/zinc/41/67/53/553416753.db2.gz RPQZFLFJJLNZBK-DVBGFMBJSA-N 0 0 513.616 2.891 40 0 KFABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F ZINC000012709750 553416744 /nfs/dbraw/zinc/41/67/44/553416744.db2.gz YCZMQZUMHHIFQQ-RJDSNXINSA-N 0 0 517.579 2.722 40 0 KFABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F ZINC000012709756 553416745 /nfs/dbraw/zinc/41/67/45/553416745.db2.gz YCZMQZUMHHIFQQ-FGAOGKJBSA-N 0 0 517.579 2.722 40 0 KFABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000012709805 553416771 /nfs/dbraw/zinc/41/67/71/553416771.db2.gz SKYVXRNONHIEJZ-RJDSNXINSA-N 0 0 517.579 2.722 40 0 KFABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000012709811 553416754 /nfs/dbraw/zinc/41/67/54/553416754.db2.gz SKYVXRNONHIEJZ-FGAOGKJBSA-N 0 0 517.579 2.722 40 0 KFABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000012709860 553416759 /nfs/dbraw/zinc/41/67/59/553416759.db2.gz PWOJBYPTQSNMDR-RJDSNXINSA-N 0 0 517.579 2.722 40 0 KFABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000012709864 553416764 /nfs/dbraw/zinc/41/67/64/553416764.db2.gz PWOJBYPTQSNMDR-FGAOGKJBSA-N 0 0 517.579 2.722 40 0 KFABRN O=C(CN(Cc1ccccc1)C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000012710002 553416760 /nfs/dbraw/zinc/41/67/60/553416760.db2.gz QYGWDBNXPYJRHU-BHVANESWSA-N 0 0 513.616 2.580 40 0 KFABRN O=C(CN(Cc1cccs1)C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000012710029 553416742 /nfs/dbraw/zinc/41/67/42/553416742.db2.gz UIHCFMMHHLBOIH-DHUJRADRSA-N 0 0 519.645 2.642 40 0 KFABRN Cc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000012710074 553416866 /nfs/dbraw/zinc/41/68/66/553416866.db2.gz JXRCPFUEPGFOKS-BHVANESWSA-N 0 0 513.616 2.893 40 0 KFABRN Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000012710096 553416926 /nfs/dbraw/zinc/41/69/26/553416926.db2.gz MRAZBAZSRUMKKC-BHVANESWSA-N 0 0 513.616 2.893 40 0 KFABRN Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000012710119 553416929 /nfs/dbraw/zinc/41/69/29/553416929.db2.gz YVDHBSPDDJDNKT-BHVANESWSA-N 0 0 513.616 2.893 40 0 KFABRN O=C(CN(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F)NC1CCCCC1 ZINC000012710218 553416862 /nfs/dbraw/zinc/41/68/62/553416862.db2.gz MHIYSGPQAWIQOF-BHVANESWSA-N 0 0 517.579 2.724 40 0 KFABRN O=C(CN(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1)NC1CCCCC1 ZINC000012710240 553416906 /nfs/dbraw/zinc/41/69/06/553416906.db2.gz NWJHOACWLFLMMP-BHVANESWSA-N 0 0 517.579 2.724 40 0 KFABRN O=C(CN(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1)NC1CCCCC1 ZINC000012710261 553416884 /nfs/dbraw/zinc/41/68/84/553416884.db2.gz MYFIKZSXZKRVSU-BHVANESWSA-N 0 0 517.579 2.724 40 0 KFABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000012710340 553416873 /nfs/dbraw/zinc/41/68/73/553416873.db2.gz DJGRSENAYVJNIN-QCNWMPOZSA-N 0 0 513.616 2.973 40 0 KFABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000012710345 553416902 /nfs/dbraw/zinc/41/69/02/553416902.db2.gz DJGRSENAYVJNIN-DVBGFMBJSA-N 0 0 513.616 2.973 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1 ZINC000012711307 553417334 /nfs/dbraw/zinc/41/73/34/553417334.db2.gz LFXOGZURSAMNRC-HNAYVOBHSA-N 0 0 515.617 2.578 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1 ZINC000012711312 553417371 /nfs/dbraw/zinc/41/73/71/553417371.db2.gz LFXOGZURSAMNRC-KXBFYZLASA-N 0 0 515.617 2.578 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1 ZINC000012711316 553417515 /nfs/dbraw/zinc/41/75/15/553417515.db2.gz LFXOGZURSAMNRC-DNVCBOLYSA-N 0 0 515.617 2.578 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1 ZINC000012711320 553417450 /nfs/dbraw/zinc/41/74/50/553417450.db2.gz LFXOGZURSAMNRC-BEFAXECRSA-N 0 0 515.617 2.578 40 0 KFABRN 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O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000012876957 553424898 /nfs/dbraw/zinc/42/48/98/553424898.db2.gz DIGPSOHIXOGXTI-SFHVURJKSA-N 0 0 504.634 2.589 40 0 KFABRN O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000012876965 553424904 /nfs/dbraw/zinc/42/49/04/553424904.db2.gz DIGPSOHIXOGXTI-GOSISDBHSA-N 0 0 504.634 2.589 40 0 KFABRN C[C@@H](OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000012978231 553431417 /nfs/dbraw/zinc/43/14/17/553431417.db2.gz VWTOETCPMQEPDG-RKVPGOIHSA-N 0 0 517.442 2.710 40 0 KFABRN C[C@@H](OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000012978233 553431414 /nfs/dbraw/zinc/43/14/14/553431414.db2.gz VWTOETCPMQEPDG-DAYGRLMNSA-N 0 0 517.442 2.710 40 0 KFABRN C[C@@H](OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000012978235 553431435 /nfs/dbraw/zinc/43/14/35/553431435.db2.gz VWTOETCPMQEPDG-IIDMSEBBSA-N 0 0 517.442 2.710 40 0 KFABRN C[C@@H](OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000012978236 553431413 /nfs/dbraw/zinc/43/14/13/553431413.db2.gz VWTOETCPMQEPDG-HDMKZQKVSA-N 0 0 517.442 2.710 40 0 KFABRN CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000013023393 553433375 /nfs/dbraw/zinc/43/33/75/553433375.db2.gz GITCHLMHNCFKIP-KRWDZBQOSA-N 0 0 501.590 2.917 40 0 KFABRN CC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000013023396 553433393 /nfs/dbraw/zinc/43/33/93/553433393.db2.gz GITCHLMHNCFKIP-QGZVFWFLSA-N 0 0 501.590 2.917 40 0 KFABRN CCC(C)(C)NC(=O)[C@H](c1cc(OC)c(OC)c(OC)c1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013023983 553433921 /nfs/dbraw/zinc/43/39/21/553433921.db2.gz JVXJRZBREAYCQY-DEOSSOPVSA-N 0 0 527.622 2.978 40 0 KFABRN CCC(C)(C)NC(=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013023986 553433957 /nfs/dbraw/zinc/43/39/57/553433957.db2.gz JVXJRZBREAYCQY-XMMPIXPASA-N 0 0 527.622 2.978 40 0 KFABRN COc1ccc([C@@H](Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)NC[C@@H]2CCCO2)cc1OC ZINC000013028282 553437703 /nfs/dbraw/zinc/43/77/03/553437703.db2.gz HOKKBSSZGQJUFF-STWLZBDKSA-N 0 0 533.647 2.610 40 0 KFABRN COc1ccc([C@H](Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)NC[C@@H]2CCCO2)cc1OC ZINC000013028286 553437685 /nfs/dbraw/zinc/43/76/85/553437685.db2.gz HOKKBSSZGQJUFF-WATLYSKOSA-N 0 0 533.647 2.610 40 0 KFABRN COc1ccc([C@H](Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C(=O)NC[C@@H]2CCCO2)cc1OC ZINC000013028290 553437675 /nfs/dbraw/zinc/43/76/75/553437675.db2.gz HOKKBSSZGQJUFF-BKSPAHHJSA-N 0 0 533.647 2.610 40 0 KFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)CC2)cc1 ZINC000013083122 553445161 /nfs/dbraw/zinc/44/51/61/553445161.db2.gz UUZCAUMBSQOZID-UHFFFAOYSA-N 0 0 521.603 2.810 40 0 KFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4)c(=O)[nH]3)CC2)cc1 ZINC000013083264 553445137 /nfs/dbraw/zinc/44/51/37/553445137.db2.gz YEVUIBVCCWXNEM-UHFFFAOYSA-N 0 0 507.576 2.502 40 0 KFABRN Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013084670 553445437 /nfs/dbraw/zinc/44/54/37/553445437.db2.gz KAYPQXFDRFOZDV-UHFFFAOYSA-N 0 0 526.688 2.708 40 0 KFABRN COc1ccccc1CNC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C ZINC000013084673 553445441 /nfs/dbraw/zinc/44/54/41/553445441.db2.gz JRWNCHAZEZRDBQ-UHFFFAOYSA-N 0 0 501.634 2.684 40 0 KFABRN CCOC(=O)/C=c1\s/c(=C\c2cccc(OCc3ccccc3)c2)c(=O)n1CC(=O)N1CCC(C)CC1 ZINC000013134555 553452264 /nfs/dbraw/zinc/45/22/64/553452264.db2.gz BBSHIPZWUKZXPD-IBTAJCQPSA-N 0 0 520.651 2.920 40 0 KFABRN CCOC(=O)/C=c1\s/c(=C\c2ccc(OCc3ccccc3)cc2)c(=O)n1CC(=O)N1CCC(C)CC1 ZINC000013145981 553455127 /nfs/dbraw/zinc/45/51/27/553455127.db2.gz JNQALONDTIXLDR-IBTAJCQPSA-N 0 0 520.651 2.920 40 0 KFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000013150548 553456737 /nfs/dbraw/zinc/45/67/37/553456737.db2.gz DKSDPHWGBANLNP-SANMLTNESA-N 0 0 509.628 2.865 40 0 KFABRN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000013151206 553456830 /nfs/dbraw/zinc/45/68/30/553456830.db2.gz PIQDPFKKLJNHTJ-FQEVSTJZSA-N 0 0 509.650 2.526 40 0 KFABRN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000013151207 553456878 /nfs/dbraw/zinc/45/68/78/553456878.db2.gz PIQDPFKKLJNHTJ-HXUWFJFHSA-N 0 0 509.650 2.526 40 0 KFABRN COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000013496938 553464281 /nfs/dbraw/zinc/46/42/81/553464281.db2.gz OTDQZZNUJMYEGO-UHFFFAOYSA-N 0 0 523.677 2.916 40 0 KFABRN COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000013496941 553464306 /nfs/dbraw/zinc/46/43/06/553464306.db2.gz GRJOQYJANYNCFS-WMZHIEFXSA-N 0 0 523.677 2.819 40 0 KFABRN COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000013496943 553464320 /nfs/dbraw/zinc/46/43/20/553464320.db2.gz GRJOQYJANYNCFS-CVDCTZTESA-N 0 0 523.677 2.819 40 0 KFABRN COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000013496945 553464295 /nfs/dbraw/zinc/46/42/95/553464295.db2.gz JTAOKWXCPNCHPS-UHFFFAOYSA-N 0 0 509.650 2.573 40 0 KFABRN COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013496946 553464338 /nfs/dbraw/zinc/46/43/38/553464338.db2.gz NJCUZQGHAIPMDM-UHFFFAOYSA-N 0 0 509.650 2.527 40 0 KFABRN COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000013496951 553464352 /nfs/dbraw/zinc/46/43/52/553464352.db2.gz STKPZJWROFIVRG-IBGZPJMESA-N 0 0 509.650 2.526 40 0 KFABRN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(CCOC)CC(=O)Nc2ccccc2)cc1 ZINC000013496953 553464327 /nfs/dbraw/zinc/46/43/27/553464327.db2.gz NFCWZJTUJLVMPH-OAQYLSRUSA-N 0 0 523.677 2.916 40 0 KFABRN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(CCOC)CC(=O)Nc2ccccc2)cc1 ZINC000013496954 553464335 /nfs/dbraw/zinc/46/43/35/553464335.db2.gz NFCWZJTUJLVMPH-NRFANRHFSA-N 0 0 523.677 2.916 40 0 KFABRN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1 ZINC000013496961 553464330 /nfs/dbraw/zinc/46/43/30/553464330.db2.gz JPGHKLNBEXKVST-UHFFFAOYSA-N 0 0 503.602 2.894 40 0 KFABRN O=C(CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccccc1 ZINC000013496963 553464276 /nfs/dbraw/zinc/46/42/76/553464276.db2.gz AFNFIUOTPXIWFI-NRFANRHFSA-N 0 0 521.661 2.716 40 0 KFABRN O=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccccc1 ZINC000013496966 553464284 /nfs/dbraw/zinc/46/42/84/553464284.db2.gz AFNFIUOTPXIWFI-OAQYLSRUSA-N 0 0 521.661 2.716 40 0 KFABRN O=C(CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1 ZINC000013496977 553464565 /nfs/dbraw/zinc/46/45/65/553464565.db2.gz DANKUSQXVHFQCO-NRFANRHFSA-N 0 0 521.661 2.670 40 0 KFABRN O=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1 ZINC000013496979 553464544 /nfs/dbraw/zinc/46/45/44/553464544.db2.gz DANKUSQXVHFQCO-OAQYLSRUSA-N 0 0 521.661 2.670 40 0 KFABRN COCCn1nnnc1[C@@H](C(C)C)N(CCCN1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499112 553465287 /nfs/dbraw/zinc/46/52/87/553465287.db2.gz QSDAGEVSDRFICS-RUZDIDTESA-N 0 0 511.671 2.699 40 0 KFABRN COCCn1nnnc1[C@H](C(C)C)N(CCCN1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499113 553465302 /nfs/dbraw/zinc/46/53/02/553465302.db2.gz QSDAGEVSDRFICS-VWLOTQADSA-N 0 0 511.671 2.699 40 0 KFABRN CCC[C@H](c1nnnn1CC(=O)OCC)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499401 553465502 /nfs/dbraw/zinc/46/55/02/553465502.db2.gz IPFKXVXFXCRWMR-OAQYLSRUSA-N 0 0 522.562 2.986 40 0 KFABRN CCC[C@@H](c1nnnn1CC(=O)OCC)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499402 553465535 /nfs/dbraw/zinc/46/55/35/553465535.db2.gz IPFKXVXFXCRWMR-NRFANRHFSA-N 0 0 522.562 2.986 40 0 KFABRN CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501186 553466482 /nfs/dbraw/zinc/46/64/82/553466482.db2.gz LIFWRMHDMRWOSF-UKILVPOCSA-N 0 0 509.655 2.678 40 0 KFABRN CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501187 553466451 /nfs/dbraw/zinc/46/64/51/553466451.db2.gz LIFWRMHDMRWOSF-ZCYQVOJMSA-N 0 0 509.655 2.678 40 0 KFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C2CCCC2)c2cc3ccc(OC)cc3n3nnnc23)CC1 ZINC000013513741 553468094 /nfs/dbraw/zinc/46/80/94/553468094.db2.gz GGBVXWWUYYOZKB-JOCHJYFZSA-N 0 0 505.583 2.752 40 0 KFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C2CCCC2)c2cc3ccc(OC)cc3n3nnnc23)CC1 ZINC000013513743 553468093 /nfs/dbraw/zinc/46/80/93/553468093.db2.gz GGBVXWWUYYOZKB-QFIPXVFZSA-N 0 0 505.583 2.752 40 0 KFABRN Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(N4CCN(C(=O)[C@@H]5CCCO5)CC4)cc3)n2)cc1 ZINC000013564494 553472225 /nfs/dbraw/zinc/47/22/25/553472225.db2.gz DVQMLGBXRDGDLP-VWLOTQADSA-N 0 0 501.587 2.685 40 0 KFABRN Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(N4CCN(C(=O)[C@H]5CCCO5)CC4)cc3)n2)cc1 ZINC000013564497 553472218 /nfs/dbraw/zinc/47/22/18/553472218.db2.gz DVQMLGBXRDGDLP-RUZDIDTESA-N 0 0 501.587 2.685 40 0 KFABRN CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn32)CC1 ZINC000013565567 553472922 /nfs/dbraw/zinc/47/29/22/553472922.db2.gz OAQZOCOMSSMMCO-SANMLTNESA-N 0 0 511.630 2.856 40 0 KFABRN CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn32)CC1 ZINC000013565568 553472920 /nfs/dbraw/zinc/47/29/20/553472920.db2.gz OAQZOCOMSSMMCO-AREMUKBSSA-N 0 0 511.630 2.856 40 0 KFABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000013565611 553472902 /nfs/dbraw/zinc/47/29/02/553472902.db2.gz QJVUMYXGRXDXPO-OAQYLSRUSA-N 0 0 527.565 2.731 40 0 KFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000013565612 553472911 /nfs/dbraw/zinc/47/29/11/553472911.db2.gz QJVUMYXGRXDXPO-NRFANRHFSA-N 0 0 527.565 2.731 40 0 KFABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000013565613 553472893 /nfs/dbraw/zinc/47/28/93/553472893.db2.gz QEFNAVWPWHTWIC-JOCHJYFZSA-N 0 0 527.565 2.731 40 0 KFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000013565614 553472907 /nfs/dbraw/zinc/47/29/07/553472907.db2.gz QEFNAVWPWHTWIC-QFIPXVFZSA-N 0 0 527.565 2.731 40 0 KFABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000013565617 553472917 /nfs/dbraw/zinc/47/29/17/553472917.db2.gz DYYSHCAHDREJJT-JOCHJYFZSA-N 0 0 527.565 2.731 40 0 KFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000013565618 553472908 /nfs/dbraw/zinc/47/29/08/553472908.db2.gz DYYSHCAHDREJJT-QFIPXVFZSA-N 0 0 527.565 2.731 40 0 KFABRN CC(=O)N[C@@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000013565629 553472905 /nfs/dbraw/zinc/47/29/05/553472905.db2.gz RQBRVPASZXZEGH-FQEVSTJZSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000013565630 553472900 /nfs/dbraw/zinc/47/29/00/553472900.db2.gz RQBRVPASZXZEGH-HXUWFJFHSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)N[C@@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013565633 553472895 /nfs/dbraw/zinc/47/28/95/553472895.db2.gz RUDJLLZDNQEJFS-NRFANRHFSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013565634 553472897 /nfs/dbraw/zinc/47/28/97/553472897.db2.gz RUDJLLZDNQEJFS-OAQYLSRUSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)N[C@@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000013565637 553472921 /nfs/dbraw/zinc/47/29/21/553472921.db2.gz SJBWSPKTJLTSPY-NRFANRHFSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000013565638 553473029 /nfs/dbraw/zinc/47/30/29/553473029.db2.gz SJBWSPKTJLTSPY-OAQYLSRUSA-N 0 0 515.529 2.861 40 0 KFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000013565647 553473013 /nfs/dbraw/zinc/47/30/13/553473013.db2.gz YUDRHVXDJQBMBR-OAQYLSRUSA-N 0 0 527.565 2.731 40 0 KFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000013565648 553473016 /nfs/dbraw/zinc/47/30/16/553473016.db2.gz YUDRHVXDJQBMBR-NRFANRHFSA-N 0 0 527.565 2.731 40 0 KFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000013565649 553473032 /nfs/dbraw/zinc/47/30/32/553473032.db2.gz OCDADAIVTBVUCL-JOCHJYFZSA-N 0 0 527.565 2.731 40 0 KFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000013565650 553473054 /nfs/dbraw/zinc/47/30/54/553473054.db2.gz OCDADAIVTBVUCL-QFIPXVFZSA-N 0 0 527.565 2.731 40 0 KFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)cc1 ZINC000013565651 553473008 /nfs/dbraw/zinc/47/30/08/553473008.db2.gz VNUDDLBBZTVALF-RUZDIDTESA-N 0 0 509.628 2.865 40 0 KFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)cc1 ZINC000013565652 553473001 /nfs/dbraw/zinc/47/30/01/553473001.db2.gz VNUDDLBBZTVALF-VWLOTQADSA-N 0 0 509.628 2.865 40 0 KFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000013565655 553473011 /nfs/dbraw/zinc/47/30/11/553473011.db2.gz GGFUWLUGYHTZTN-JOCHJYFZSA-N 0 0 527.565 2.731 40 0 KFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000013565656 553473027 /nfs/dbraw/zinc/47/30/27/553473027.db2.gz GGFUWLUGYHTZTN-QFIPXVFZSA-N 0 0 527.565 2.731 40 0 KFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000013565657 553473060 /nfs/dbraw/zinc/47/30/60/553473060.db2.gz JKJAMHOMDSHNII-AREMUKBSSA-N 0 0 509.628 2.865 40 0 KFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000013565658 553473043 /nfs/dbraw/zinc/47/30/43/553473043.db2.gz JKJAMHOMDSHNII-SANMLTNESA-N 0 0 509.628 2.865 40 0 KFABRN COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000013565675 553473024 /nfs/dbraw/zinc/47/30/24/553473024.db2.gz SATVWTYZEFQPRM-HXUWFJFHSA-N 0 0 527.565 2.731 40 0 KFABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000013565676 553473049 /nfs/dbraw/zinc/47/30/49/553473049.db2.gz SATVWTYZEFQPRM-FQEVSTJZSA-N 0 0 527.565 2.731 40 0 KFABRN COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013565679 553473021 /nfs/dbraw/zinc/47/30/21/553473021.db2.gz RWMDHOLEZYCPIP-OAQYLSRUSA-N 0 0 527.565 2.731 40 0 KFABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013565680 553473004 /nfs/dbraw/zinc/47/30/04/553473004.db2.gz RWMDHOLEZYCPIP-NRFANRHFSA-N 0 0 527.565 2.731 40 0 KFABRN COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000013565681 553473052 /nfs/dbraw/zinc/47/30/52/553473052.db2.gz WQQJYCOHWSKXQD-XMMPIXPASA-N 0 0 509.628 2.865 40 0 KFABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000013565682 553472993 /nfs/dbraw/zinc/47/29/93/553472993.db2.gz WQQJYCOHWSKXQD-DEOSSOPVSA-N 0 0 509.628 2.865 40 0 KFABRN COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013565687 553472989 /nfs/dbraw/zinc/47/29/89/553472989.db2.gz HOTVEONXACVYQA-RUZDIDTESA-N 0 0 509.628 2.865 40 0 KFABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013565688 553472998 /nfs/dbraw/zinc/47/29/98/553472998.db2.gz HOTVEONXACVYQA-VWLOTQADSA-N 0 0 509.628 2.865 40 0 KFABRN CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn32)CC1 ZINC000013565699 553473065 /nfs/dbraw/zinc/47/30/65/553473065.db2.gz LYDGCIHGDQQGLP-SANMLTNESA-N 0 0 529.620 2.995 40 0 KFABRN CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn32)CC1 ZINC000013565700 553473069 /nfs/dbraw/zinc/47/30/69/553473069.db2.gz LYDGCIHGDQQGLP-AREMUKBSSA-N 0 0 529.620 2.995 40 0 KFABRN CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000013565701 553473035 /nfs/dbraw/zinc/47/30/35/553473035.db2.gz IWQWLAOQWLVELW-FQEVSTJZSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000013565702 553473218 /nfs/dbraw/zinc/47/32/18/553473218.db2.gz IWQWLAOQWLVELW-HXUWFJFHSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013565705 553473221 /nfs/dbraw/zinc/47/32/21/553473221.db2.gz LZEBITBPHWWJRZ-NRFANRHFSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013565706 553473222 /nfs/dbraw/zinc/47/32/22/553473222.db2.gz LZEBITBPHWWJRZ-OAQYLSRUSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000013565709 553473238 /nfs/dbraw/zinc/47/32/38/553473238.db2.gz JHZKZMUCILSYEK-NRFANRHFSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000013565710 553473213 /nfs/dbraw/zinc/47/32/13/553473213.db2.gz JHZKZMUCILSYEK-OAQYLSRUSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn32)CC1 ZINC000013565717 553473220 /nfs/dbraw/zinc/47/32/20/553473220.db2.gz WZKWBANLSARAAE-SANMLTNESA-N 0 0 529.620 2.995 40 0 KFABRN CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn32)CC1 ZINC000013565718 553473239 /nfs/dbraw/zinc/47/32/39/553473239.db2.gz WZKWBANLSARAAE-AREMUKBSSA-N 0 0 529.620 2.995 40 0 KFABRN CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013565723 553473226 /nfs/dbraw/zinc/47/32/26/553473226.db2.gz RHCAJECGGPMEDJ-NRFANRHFSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013565724 553473235 /nfs/dbraw/zinc/47/32/35/553473235.db2.gz RHCAJECGGPMEDJ-OAQYLSRUSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000013565727 553473241 /nfs/dbraw/zinc/47/32/41/553473241.db2.gz BDECLSXBTWCRPS-NRFANRHFSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000013565728 553473231 /nfs/dbraw/zinc/47/32/31/553473231.db2.gz BDECLSXBTWCRPS-OAQYLSRUSA-N 0 0 515.529 2.861 40 0 KFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](Cc3ccc(C(C)C)cc3)NC(C)=O)CC2)cc1 ZINC000013565745 553473225 /nfs/dbraw/zinc/47/32/25/553473225.db2.gz YRJFRFFYPLFGKF-AREMUKBSSA-N 0 0 528.675 2.785 40 0 KFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](Cc3ccc(C(C)C)cc3)NC(C)=O)CC2)cc1 ZINC000013565746 553473227 /nfs/dbraw/zinc/47/32/27/553473227.db2.gz YRJFRFFYPLFGKF-SANMLTNESA-N 0 0 528.675 2.785 40 0 KFABRN COc1ccc(NC(=S)N(CCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000013570708 553473654 /nfs/dbraw/zinc/47/36/54/553473654.db2.gz STRFAHUAHKZUFY-UHFFFAOYSA-N 0 0 510.616 2.839 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)CC2)cc1 ZINC000013612403 553477830 /nfs/dbraw/zinc/47/78/30/553477830.db2.gz HOMWCCPEHAQQBA-UHFFFAOYSA-N 0 0 520.460 2.601 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCN(c3ccc(C)c(C)c3)S(C)(=O)=O)CC2)cc1 ZINC000013613516 553478062 /nfs/dbraw/zinc/47/80/62/553478062.db2.gz DCOKSQCFPZWNHW-UHFFFAOYSA-N 0 0 507.678 2.691 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1C(=O)N1CCCCCC1 ZINC000013632310 553478503 /nfs/dbraw/zinc/47/85/03/553478503.db2.gz VNRDOLGEKCIGGK-UHFFFAOYSA-N 0 0 521.661 2.713 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)CC2)cc1 ZINC000013646188 553479849 /nfs/dbraw/zinc/47/98/49/553479849.db2.gz YETLXVJIWGCNKL-UHFFFAOYSA-N 0 0 505.662 2.625 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000013648654 553480331 /nfs/dbraw/zinc/48/03/31/553480331.db2.gz YAOPFSLNFGMVNJ-UHFFFAOYSA-N 0 0 513.641 2.967 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1 ZINC000013649548 553480547 /nfs/dbraw/zinc/48/05/47/553480547.db2.gz KJZIHSAWJGLQRH-UHFFFAOYSA-N 0 0 526.080 2.970 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)CC2)cc1 ZINC000013671617 553482114 /nfs/dbraw/zinc/48/21/14/553482114.db2.gz HKHXRCVLTACPNS-UHFFFAOYSA-N 0 0 520.460 2.601 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000013673782 553482483 /nfs/dbraw/zinc/48/24/83/553482483.db2.gz AZWRYPGUSCYFEP-UHFFFAOYSA-N 0 0 513.641 2.723 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3cc(Cl)ccc3Cl)S(C)(=O)=O)CC2)cc1 ZINC000013674038 553482454 /nfs/dbraw/zinc/48/24/54/553482454.db2.gz YPKXOADYSCXCAP-UHFFFAOYSA-N 0 0 520.460 2.601 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1 ZINC000013674681 553482466 /nfs/dbraw/zinc/48/24/66/553482466.db2.gz GGHIZXNIOIKUSV-UHFFFAOYSA-N 0 0 513.641 2.970 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1C(=O)N1CCC(C)CC1 ZINC000013674794 553482619 /nfs/dbraw/zinc/48/26/19/553482619.db2.gz IKNGGLWRQLRNSY-UHFFFAOYSA-N 0 0 521.661 2.569 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CC2)cc1 ZINC000013674829 553482629 /nfs/dbraw/zinc/48/26/29/553482629.db2.gz GAFDTJBAPNLPMJ-UHFFFAOYSA-N 0 0 512.053 2.580 40 0 KFABRN COC(=O)C1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000013675574 553482587 /nfs/dbraw/zinc/48/25/87/553482587.db2.gz KDOWZLHNOWPQBH-UHFFFAOYSA-N 0 0 504.605 2.928 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)CC2)cc1 ZINC000013675831 553482605 /nfs/dbraw/zinc/48/26/05/553482605.db2.gz MFLRFMKNQZBQQE-GOSISDBHSA-N 0 0 514.069 2.644 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)CC2)cc1 ZINC000013675833 553482782 /nfs/dbraw/zinc/48/27/82/553482782.db2.gz MFLRFMKNQZBQQE-SFHVURJKSA-N 0 0 514.069 2.644 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)CC2)cc1 ZINC000013676199 553482790 /nfs/dbraw/zinc/48/27/90/553482790.db2.gz DQXGUEIBZDELNE-UHFFFAOYSA-N 0 0 513.641 2.967 40 0 KFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)CC2)cc1 ZINC000013676268 553482794 /nfs/dbraw/zinc/48/27/94/553482794.db2.gz IDYHDRUPXJBSFP-UHFFFAOYSA-N 0 0 526.080 2.970 40 0 KFABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000013677916 553483317 /nfs/dbraw/zinc/48/33/17/553483317.db2.gz OYKKJFPAFBBDTJ-HNNXBMFYSA-N 0 0 516.041 2.926 40 0 KFABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000013677918 553483368 /nfs/dbraw/zinc/48/33/68/553483368.db2.gz OYKKJFPAFBBDTJ-OAHLLOKOSA-N 0 0 516.041 2.926 40 0 KFABRN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000013678503 553483419 /nfs/dbraw/zinc/48/34/19/553483419.db2.gz PADXWEZJWTYERJ-UHFFFAOYSA-N 0 0 501.586 2.761 40 0 KFABRN Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C ZINC000013679144 553483674 /nfs/dbraw/zinc/48/36/74/553483674.db2.gz NBTWBFKNVWDNFI-UHFFFAOYSA-N 0 0 509.650 2.509 40 0 KFABRN COc1ccc(N([C@@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)cc1Cl ZINC000013680346 553484142 /nfs/dbraw/zinc/48/41/42/553484142.db2.gz YAMUUCNNUXZUBN-INIZCTEOSA-N 0 0 510.012 2.576 40 0 KFABRN COc1ccc(N([C@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)cc1Cl ZINC000013680348 553484160 /nfs/dbraw/zinc/48/41/60/553484160.db2.gz YAMUUCNNUXZUBN-MRXNPFEDSA-N 0 0 510.012 2.576 40 0 KFABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1OC ZINC000013685207 553485120 /nfs/dbraw/zinc/48/51/20/553485120.db2.gz CYMVSMWZZMDWKE-BGYRXZFFSA-N 0 0 505.571 2.956 40 0 KFABRN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712318 553486010 /nfs/dbraw/zinc/48/60/10/553486010.db2.gz NXCCNWHJNFSNGD-HXUWFJFHSA-N 0 0 516.041 2.544 40 0 KFABRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712320 553485972 /nfs/dbraw/zinc/48/59/72/553485972.db2.gz NXCCNWHJNFSNGD-FQEVSTJZSA-N 0 0 516.041 2.544 40 0 KFABRN 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CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000022268558 553733927 /nfs/dbraw/zinc/73/39/27/553733927.db2.gz JQDVZFPMBOTVQL-QFIPXVFZSA-N 0 0 517.629 2.569 40 0 KFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000022268561 553733949 /nfs/dbraw/zinc/73/39/49/553733949.db2.gz JQDVZFPMBOTVQL-JOCHJYFZSA-N 0 0 517.629 2.569 40 0 KFABRN Cc1cc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)ccc1Br ZINC000022365088 553738258 /nfs/dbraw/zinc/73/82/58/553738258.db2.gz BYEDYXTXDMUFFR-CQSZACIVSA-N 0 0 503.440 2.804 40 0 KFABRN Cc1cc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)ccc1Br ZINC000022365092 553738335 /nfs/dbraw/zinc/73/83/35/553738335.db2.gz BYEDYXTXDMUFFR-AWEZNQCLSA-N 0 0 503.440 2.804 40 0 KFABRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000022446654 553742396 /nfs/dbraw/zinc/74/23/96/553742396.db2.gz CBVCZFGXHXORBI-WTUKIFRESA-N 0 0 613.803 2.867 40 0 KFABRN 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COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC ZINC000022518929 553743878 /nfs/dbraw/zinc/74/38/78/553743878.db2.gz IFUJMIUJQHJKFI-UHFFFAOYSA-N 0 0 523.633 2.525 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000022519255 553743967 /nfs/dbraw/zinc/74/39/67/553743967.db2.gz BJBXQZGCEWLIPX-UHFFFAOYSA-N 0 0 520.004 2.677 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000022520516 553744218 /nfs/dbraw/zinc/74/42/18/553744218.db2.gz DOBKDLOBMCUTBJ-MRXNPFEDSA-N 0 0 513.663 2.581 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000022520521 553744312 /nfs/dbraw/zinc/74/43/12/553744312.db2.gz DOBKDLOBMCUTBJ-INIZCTEOSA-N 0 0 513.663 2.581 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000022527303 553744856 /nfs/dbraw/zinc/74/48/56/553744856.db2.gz VQAITRRKAIMWQK-UHFFFAOYSA-N 0 0 502.014 2.538 40 0 KFABRN 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COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)Nc2ccccc2)cc(C(=O)OC)c1 ZINC000022846912 553760398 /nfs/dbraw/zinc/76/03/98/553760398.db2.gz RQPJYDGWYLOZKI-BHDDXSALSA-N 0 0 522.558 2.932 40 0 KFABRN COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)Nc2ccccc2)cc(C(=O)OC)c1 ZINC000022846921 553760401 /nfs/dbraw/zinc/76/04/01/553760401.db2.gz RQPJYDGWYLOZKI-FDFHNCONSA-N 0 0 522.558 2.932 40 0 KFABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866298 553763418 /nfs/dbraw/zinc/76/34/18/553763418.db2.gz DPPYJXCKBLBXPH-FIPFOOKPSA-N 0 0 573.654 2.728 40 0 KFABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866304 553763457 /nfs/dbraw/zinc/76/34/57/553763457.db2.gz DPPYJXCKBLBXPH-LXFBAYGMSA-N 0 0 573.654 2.728 40 0 KFABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866354 553763421 /nfs/dbraw/zinc/76/34/21/553763421.db2.gz 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/nfs/dbraw/zinc/76/41/17/553764117.db2.gz QSHWORJVSDGIQP-QDPGVEIFSA-N 0 0 557.655 2.892 40 0 KFABRN COc1ccc(CN2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000022867600 553764047 /nfs/dbraw/zinc/76/40/47/553764047.db2.gz KFQACXKXNOWHEG-IGKIAQTJSA-N 0 0 545.644 2.618 40 0 KFABRN COc1ccc(CN2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000022867603 553764469 /nfs/dbraw/zinc/76/44/69/553764469.db2.gz KFQACXKXNOWHEG-SQHAQQRYSA-N 0 0 545.644 2.618 40 0 KFABRN COc1ccc(CN2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000022867613 553764402 /nfs/dbraw/zinc/76/44/02/553764402.db2.gz KFQACXKXNOWHEG-RPLLCQBOSA-N 0 0 545.644 2.618 40 0 KFABRN COc1ccc(CN2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000022867616 553764393 /nfs/dbraw/zinc/76/43/93/553764393.db2.gz KFQACXKXNOWHEG-SHQCIBLASA-N 0 0 545.644 2.618 40 0 KFABRN Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 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CCOc1nc2sc3c(c2c(=O)n1CCN1CCN(S(=O)(=O)c2ccccc2)CC1)CCCC3 ZINC000028558417 1059784832 /nfs/dbraw/zinc/78/48/32/1059784832.db2.gz OZEUHDJZCCUZCE-UHFFFAOYSA-N 0 0 502.662 2.742 40 0 KFABRN CCCn1c(=O)c2cc3c(cc2nc1N1CCN(C(=O)COc2ccc(OCC)cc2)CC1)OCCO3 ZINC000028558650 1059784748 /nfs/dbraw/zinc/78/47/48/1059784748.db2.gz CJUUBPDDYFOQIE-UHFFFAOYSA-N 0 0 508.575 2.704 40 0 KFABRN CCn1c(=O)c2c(nc1N1CCN(C(=O)COc3cc(OC)c(Cl)cc3Cl)CC1)c(C)nn2C ZINC000028559058 1059784718 /nfs/dbraw/zinc/78/47/18/1059784718.db2.gz ZHMXNBIYFKZDAD-UHFFFAOYSA-N 0 0 509.394 2.501 40 0 KFABRN CCCn1c(=O)c2c(nc1N1CCN(C(=O)COc3cc(OC)c(Cl)cc3Cl)CC1)c(C)nn2C ZINC000028559179 1059784634 /nfs/dbraw/zinc/78/46/34/1059784634.db2.gz FUUAUZBAMBIPEL-UHFFFAOYSA-N 0 0 523.421 2.891 40 0 KFABRN CC(C)(O)CCC(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000028760054 290688594 /nfs/dbraw/zinc/68/85/94/290688594.db2.gz VVBWBGOEAVGFTN-VHYGUFJVSA-N 0 0 520.707 2.944 40 0 biogenic,in-vitro KFABRN O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)N4CCN(C(=O)c5ccco5)CC4)ccc2-3)CC1 ZINC000029747780 553848913 /nfs/dbraw/zinc/84/89/13/553848913.db2.gz JNQIDIHYXFLJMB-UHFFFAOYSA-N 0 0 650.735 2.737 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000030752712 553856202 /nfs/dbraw/zinc/85/62/02/553856202.db2.gz WWIUDBUHPKFKPM-UHFFFAOYSA-N 0 0 516.041 2.846 40 0 KFABRN CC[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000030754192 553856329 /nfs/dbraw/zinc/85/63/29/553856329.db2.gz MQAPTGVPPMWCLW-OAQYLSRUSA-N 0 0 509.650 2.971 40 0 KFABRN CC[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000030754195 553856232 /nfs/dbraw/zinc/85/62/32/553856232.db2.gz MQAPTGVPPMWCLW-NRFANRHFSA-N 0 0 509.650 2.971 40 0 KFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 ZINC000030754941 553856531 /nfs/dbraw/zinc/85/65/31/553856531.db2.gz IWPREGAAQNTUEL-UHFFFAOYSA-N 0 0 523.677 2.871 40 0 KFABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000030756444 553856958 /nfs/dbraw/zinc/85/69/58/553856958.db2.gz OSMROXUQDFDIQB-MRXNPFEDSA-N 0 0 515.057 2.906 40 0 KFABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000030756449 553856979 /nfs/dbraw/zinc/85/69/79/553856979.db2.gz OSMROXUQDFDIQB-INIZCTEOSA-N 0 0 515.057 2.906 40 0 KFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000030756660 553856895 /nfs/dbraw/zinc/85/68/95/553856895.db2.gz NDVKZAGKRVFKCC-UHFFFAOYSA-N 0 0 509.650 2.562 40 0 KFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000030756952 553856975 /nfs/dbraw/zinc/85/69/75/553856975.db2.gz NXGPBNKDKMGTQU-UHFFFAOYSA-N 0 0 505.618 2.940 40 0 KFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000030757268 553856934 /nfs/dbraw/zinc/85/69/34/553856934.db2.gz YSWBIPQTLIIFJK-UHFFFAOYSA-N 0 0 504.030 2.748 40 0 KFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000030757934 553857109 /nfs/dbraw/zinc/85/71/09/553857109.db2.gz APNBTOFFRWDBRV-UHFFFAOYSA-N 0 0 504.030 2.748 40 0 KFABRN CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)CC1 ZINC000030835497 553857470 /nfs/dbraw/zinc/85/74/70/553857470.db2.gz NCIHNQDYVWIUEG-UHFFFAOYSA-N 0 0 501.443 2.793 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000030847530 553857367 /nfs/dbraw/zinc/85/73/67/553857367.db2.gz SIEQTLCYDYMXFS-UHFFFAOYSA-N 0 0 521.661 2.660 40 0 KFABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000030851188 553857984 /nfs/dbraw/zinc/85/79/84/553857984.db2.gz PHWCKBCNXNUAQI-UHFFFAOYSA-N 0 0 521.661 2.666 40 0 KFABRN CC[C@H](C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000030852794 553858073 /nfs/dbraw/zinc/85/80/73/553858073.db2.gz YOYITESTXVWKBP-LJQANCHMSA-N 0 0 501.602 2.704 40 0 KFABRN CC[C@@H](C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000030852803 553857942 /nfs/dbraw/zinc/85/79/42/553857942.db2.gz YOYITESTXVWKBP-IBGZPJMESA-N 0 0 501.602 2.704 40 0 KFABRN CCOc1ccc(N([C@@H](C)C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)S(C)(=O)=O)cc1 ZINC000030855064 553858317 /nfs/dbraw/zinc/85/83/17/553858317.db2.gz HTZSAHZGPVJXLR-INIZCTEOSA-N 0 0 513.638 2.574 40 0 KFABRN CCOc1ccc(N([C@H](C)C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)S(C)(=O)=O)cc1 ZINC000030855069 553858306 /nfs/dbraw/zinc/85/83/06/553858306.db2.gz HTZSAHZGPVJXLR-MRXNPFEDSA-N 0 0 513.638 2.574 40 0 KFABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)cc1Cl ZINC000030855681 553858514 /nfs/dbraw/zinc/85/85/14/553858514.db2.gz CBAWZLIHJLLDKK-MRXNPFEDSA-N 0 0 515.057 2.906 40 0 KFABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)cc1Cl ZINC000030855686 553858573 /nfs/dbraw/zinc/85/85/73/553858573.db2.gz CBAWZLIHJLLDKK-INIZCTEOSA-N 0 0 515.057 2.906 40 0 KFABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000030859219 553858880 /nfs/dbraw/zinc/85/88/80/553858880.db2.gz DAEALCDAVYBPBO-UHFFFAOYSA-N 0 0 526.080 2.721 40 0 KFABRN CC[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000030859360 553858837 /nfs/dbraw/zinc/85/88/37/553858837.db2.gz QPFXZUSKBDBVLR-HXUWFJFHSA-N 0 0 513.613 2.802 40 0 KFABRN CC[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000030859366 553858990 /nfs/dbraw/zinc/85/89/90/553858990.db2.gz QPFXZUSKBDBVLR-FQEVSTJZSA-N 0 0 513.613 2.802 40 0 KFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000030860769 553859313 /nfs/dbraw/zinc/85/93/13/553859313.db2.gz LLJIDTMOFUAICR-UHFFFAOYSA-N 0 0 507.993 2.579 40 0 KFABRN COc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1N1CCCC1=O ZINC000030862328 553859306 /nfs/dbraw/zinc/85/93/06/553859306.db2.gz LTZNYUUKOSWBDX-UHFFFAOYSA-N 0 0 523.633 2.806 40 0 KFABRN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000030864598 553859568 /nfs/dbraw/zinc/85/95/68/553859568.db2.gz ATOSFZAIGREMEC-UHFFFAOYSA-N 0 0 527.690 2.971 40 0 KFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 ZINC000030870255 553860063 /nfs/dbraw/zinc/86/00/63/553860063.db2.gz RBWZJJKEPMQUBK-UHFFFAOYSA-N 0 0 523.677 2.871 40 0 KFABRN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1C(=O)NC(C)C ZINC000030872743 553860504 /nfs/dbraw/zinc/86/05/04/553860504.db2.gz JQHQYKGIXJJIHC-UHFFFAOYSA-N 0 0 504.590 2.830 40 0 KFABRN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CCN(C(C)=O)CC3)C[C@H]2C(C)C)cc1 ZINC000030879802 291752507 /nfs/dbraw/zinc/75/25/07/291752507.db2.gz FWEWWNOSDRFPOJ-FXSPECFOSA-N 0 0 532.707 2.859 40 0 biogenic,in-vitro KFABRN COc1ccc(S(=O)(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CCN(C(C)=O)CC3)C[C@H]2C(C)C)cc1 ZINC000030879819 291766577 /nfs/dbraw/zinc/76/65/77/291766577.db2.gz LBZZKLGPSJQLSB-HWBMXIPRSA-N 0 0 505.681 2.909 40 0 biogenic,in-vitro KFABRN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)NCCN3CCOCC3)C[C@H]2C(C)C)cc1 ZINC000030879927 553860895 /nfs/dbraw/zinc/86/08/95/553860895.db2.gz MAZHPYDVCDUIOW-FXSPECFOSA-N 0 0 534.723 2.616 40 0 biogenic,in-vitro KFABRN CN(C)S(=O)(=O)c1ccc2c(c1)N(CCCN1CCN(S(C)(=O)=O)CC1)c1ccccc1S2 ZINC000031302808 553861134 /nfs/dbraw/zinc/86/11/34/553861134.db2.gz GCQSBCDRVDTMSX-UHFFFAOYSA-N 0 0 510.707 2.507 40 0 KFABRN CCCC[C@H]1C(=O)O[C@@H](C)[C@@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@H]1OC(=O)CC(C)C ZINC000031483236 553861389 /nfs/dbraw/zinc/86/13/89/553861389.db2.gz PVEVXUMVNWSNIG-OKYGIHGQSA-N 0 0 520.579 2.700 40 0 KFABRN COc1cc(C(=O)O[C@@H](C)CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000031484061 553861336 /nfs/dbraw/zinc/86/13/36/553861336.db2.gz TWZWYGOBLUMNKN-KRWDZBQOSA-N 0 0 532.590 2.742 40 0 KFABRN COc1cc(C(=O)O[C@H](C)CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000031484064 553861588 /nfs/dbraw/zinc/86/15/88/553861588.db2.gz TWZWYGOBLUMNKN-QGZVFWFLSA-N 0 0 532.590 2.742 40 0 KFABRN Nc1ncn([C@@H]2C[C@H](OC(=O)c3ccc(Cl)cc3)[C@@H](COC(=O)c3ccc(Cl)cc3)O2)c(=O)n1 ZINC000031717172 553861860 /nfs/dbraw/zinc/86/18/60/553861860.db2.gz TWEZWUPSUOJPMB-KSZLIROESA-N 0 0 505.314 2.897 40 0 KFABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000032125461 553866344 /nfs/dbraw/zinc/86/63/44/553866344.db2.gz ZKGMIIMSBGQINK-UHFFFAOYSA-N 0 0 524.039 2.726 40 0 KFABRN CCN(C(=O)COC(=O)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666496 553872478 /nfs/dbraw/zinc/87/24/78/553872478.db2.gz ISQAGXLWQVNNMG-LJQDGHHOSA-N 0 0 515.010 2.641 40 0 KFABRN CC(C)CN(C(=O)CN(C)C(=O)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032972036 553883447 /nfs/dbraw/zinc/88/34/47/553883447.db2.gz SMUYGGTUVAPBTP-LJQDGHHOSA-N 0 0 522.090 2.800 40 0 KFABRN CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1OC ZINC000032989030 553886832 /nfs/dbraw/zinc/88/68/32/553886832.db2.gz PYKTUFMYUVOBIR-VXJJTXSKSA-N 0 0 505.618 2.700 40 0 KFABRN CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)C2=O)cc1OC ZINC000032989034 553886777 /nfs/dbraw/zinc/88/67/77/553886777.db2.gz PYKTUFMYUVOBIR-DXOYXINLSA-N 0 0 505.618 2.700 40 0 KFABRN COc1cccc(NC(=O)CSc2nnc3n2c2cc(C(=O)NC4CCCC4)ccc2c(=O)n3C)c1 ZINC000033256823 553915970 /nfs/dbraw/zinc/91/59/70/553915970.db2.gz NDYNAKBXCAUSFO-UHFFFAOYSA-N 0 0 506.588 2.993 40 0 KFABRN COc1ccc(NC(=O)CSc2nnc3n2c2cc(C(=O)NC4CCCC4)ccc2c(=O)n3C)cc1 ZINC000033256830 553915829 /nfs/dbraw/zinc/91/58/29/553915829.db2.gz RHUOTVUSMZWGRD-UHFFFAOYSA-N 0 0 506.588 2.993 40 0 KFABRN CC(=O)OC[C@@H]1O[C@@H](SCCOc2ccc(Br)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000033355113 553933206 /nfs/dbraw/zinc/93/32/06/553933206.db2.gz ZDUHEZBXPHVNCZ-WIYBCGNWSA-N 0 0 563.419 2.644 40 0 KFABRN CC(=O)OC[C@H]1O[C@@H](SCCOc2ccc(Br)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000033355116 553933294 /nfs/dbraw/zinc/93/32/94/553933294.db2.gz ZDUHEZBXPHVNCZ-AANPDWTMSA-N 0 0 563.419 2.644 40 0 KFABRN O=C(OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000033355130 553933192 /nfs/dbraw/zinc/93/31/92/553933192.db2.gz JJFICUPIRKNFIU-CONSUNNSSA-N 0 0 574.517 2.881 40 0 KFABRN O=C(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000033355133 553933272 /nfs/dbraw/zinc/93/32/72/553933272.db2.gz JJFICUPIRKNFIU-QJXQVQFTSA-N 0 0 574.517 2.881 40 0 KFABRN CCOC(=O)/C=c1\s/c(=C/c2ccc(OCc3ccccc3)cc2)c(=O)n1CC(=O)N1CCC(C)CC1 ZINC000033502725 553961560 /nfs/dbraw/zinc/96/15/60/553961560.db2.gz JNQALONDTIXLDR-BTCPDESZSA-N 0 0 520.651 2.920 40 0 KFABRN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000033526081 553961807 /nfs/dbraw/zinc/96/18/07/553961807.db2.gz CIIAVBVNCGUKIJ-UHFFFAOYSA-N 0 0 524.577 2.656 40 0 KFABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C2CCCCC2)cc1Cl ZINC000033567805 553962865 /nfs/dbraw/zinc/96/28/65/553962865.db2.gz AHCHDJNBHXDCNG-UHFFFAOYSA-N 0 0 516.041 2.958 40 0 KFABRN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033661939 553966828 /nfs/dbraw/zinc/96/68/28/553966828.db2.gz JJZUGZXGFUQUDP-UHFFFAOYSA-N 0 0 522.023 2.576 40 0 KFABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2C)cc1 ZINC000033671284 553967262 /nfs/dbraw/zinc/96/72/62/553967262.db2.gz AIYGCYBYXZVHJI-QGZVFWFLSA-N 0 0 520.409 2.780 40 0 KFABRN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2C)cc1 ZINC000033671285 553967371 /nfs/dbraw/zinc/96/73/71/553967371.db2.gz AIYGCYBYXZVHJI-KRWDZBQOSA-N 0 0 520.409 2.780 40 0 KFABRN O=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1Br)N1CCOCC1 ZINC000033684595 553967747 /nfs/dbraw/zinc/96/77/47/553967747.db2.gz NEOCCPVQVWEUCS-UYRXBGFRSA-N 0 0 500.349 2.780 40 0 KFABRN CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000033739185 553971284 /nfs/dbraw/zinc/97/12/84/553971284.db2.gz QIKYJXIBYHIJOD-UHFFFAOYSA-N 0 0 504.605 2.696 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000033920217 553976616 /nfs/dbraw/zinc/97/66/16/553976616.db2.gz VTBOHUPVNGKJPL-ACEGTKJHSA-N 0 0 514.401 2.964 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000033920218 553976648 /nfs/dbraw/zinc/97/66/48/553976648.db2.gz VTBOHUPVNGKJPL-CYEGBWLXSA-N 0 0 514.401 2.964 40 0 KFABRN COc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1OC ZINC000033936793 553977608 /nfs/dbraw/zinc/97/76/08/553977608.db2.gz IEJRIOUCNQWMME-NLFFAJNJSA-N 0 0 502.575 2.859 40 0 KFABRN COc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1OC ZINC000033936794 553977592 /nfs/dbraw/zinc/97/75/92/553977592.db2.gz IEJRIOUCNQWMME-CJFMBICVSA-N 0 0 502.575 2.859 40 0 KFABRN CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000033936857 553977918 /nfs/dbraw/zinc/97/79/18/553977918.db2.gz 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/nfs/dbraw/zinc/22/66/31/554226631.db2.gz DQWVMOYCXRUSJP-QHCPKHFHSA-N 0 0 511.625 2.571 40 0 KFABRN Cc1ccccc1C(=O)N1CCN(C(=O)[C@H](NC(=O)c2cccs2)S(=O)(=O)c2ccccc2)CC1 ZINC000036625384 554226664 /nfs/dbraw/zinc/22/66/64/554226664.db2.gz DQWVMOYCXRUSJP-HSZRJFAPSA-N 0 0 511.625 2.571 40 0 KFABRN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2cccs2)C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000036625393 554226684 /nfs/dbraw/zinc/22/66/84/554226684.db2.gz ZJZQPTOBUDCXFB-NRFANRHFSA-N 0 0 517.654 2.632 40 0 KFABRN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2cccs2)C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000036625394 554226659 /nfs/dbraw/zinc/22/66/59/554226659.db2.gz ZJZQPTOBUDCXFB-OAQYLSRUSA-N 0 0 517.654 2.632 40 0 KFABRN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2cccs2)C(=O)N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000036625397 554226615 /nfs/dbraw/zinc/22/66/15/554226615.db2.gz JGCYGFRTUQFXDO-DEOSSOPVSA-N 0 0 525.652 2.879 40 0 KFABRN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2cccs2)C(=O)N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000036625398 554226635 /nfs/dbraw/zinc/22/66/35/554226635.db2.gz JGCYGFRTUQFXDO-XMMPIXPASA-N 0 0 525.652 2.879 40 0 KFABRN Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](NC(=O)c3cccs3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000036625399 554226692 /nfs/dbraw/zinc/22/66/92/554226692.db2.gz JICPICLWHLHGCH-QHCPKHFHSA-N 0 0 511.625 2.571 40 0 KFABRN Cc1ccc(C(=O)N2CCN(C(=O)[C@H](NC(=O)c3cccs3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000036625400 554226592 /nfs/dbraw/zinc/22/65/92/554226592.db2.gz JICPICLWHLHGCH-HSZRJFAPSA-N 0 0 511.625 2.571 40 0 KFABRN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2cccs2)C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036625401 554226605 /nfs/dbraw/zinc/22/66/05/554226605.db2.gz YMEVXGAVUKIHMC-QHCPKHFHSA-N 0 0 511.625 2.571 40 0 KFABRN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2cccs2)C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036625402 554226668 /nfs/dbraw/zinc/22/66/68/554226668.db2.gz YMEVXGAVUKIHMC-HSZRJFAPSA-N 0 0 511.625 2.571 40 0 KFABRN Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](NC(=O)c3cccs3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000036625403 554226672 /nfs/dbraw/zinc/22/66/72/554226672.db2.gz IPKKZECCTVOYGB-DEOSSOPVSA-N 0 0 525.652 2.879 40 0 KFABRN Cc1ccc(C(=O)N2CCN(C(=O)[C@H](NC(=O)c3cccs3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000036625404 554226619 /nfs/dbraw/zinc/22/66/19/554226619.db2.gz IPKKZECCTVOYGB-XMMPIXPASA-N 0 0 525.652 2.879 40 0 KFABRN CCCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036625407 554226638 /nfs/dbraw/zinc/22/66/38/554226638.db2.gz IAGRLOHTTWMPAM-QHCPKHFHSA-N 0 0 506.024 2.649 40 0 KFABRN CCCC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036625408 554226588 /nfs/dbraw/zinc/22/65/88/554226588.db2.gz IAGRLOHTTWMPAM-HSZRJFAPSA-N 0 0 506.024 2.649 40 0 KFABRN Cc1ccccc1C(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000036625419 554226649 /nfs/dbraw/zinc/22/66/49/554226649.db2.gz WQXCKGVZIFSVEM-VWLOTQADSA-N 0 0 505.596 2.509 40 0 KFABRN Cc1ccccc1C(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000036625420 554226645 /nfs/dbraw/zinc/22/66/45/554226645.db2.gz WQXCKGVZIFSVEM-RUZDIDTESA-N 0 0 505.596 2.509 40 0 KFABRN Cc1cccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000036625427 554226627 /nfs/dbraw/zinc/22/66/27/554226627.db2.gz SXWHDJQJJACONJ-HSZRJFAPSA-N 0 0 511.625 2.571 40 0 KFABRN Cc1cccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000036625428 554226893 /nfs/dbraw/zinc/22/68/93/554226893.db2.gz SXWHDJQJJACONJ-QHCPKHFHSA-N 0 0 511.625 2.571 40 0 KFABRN Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(C(=O)c2cccs2)CC1)S(=O)(=O)c1ccccc1 ZINC000036625443 554226854 /nfs/dbraw/zinc/22/68/54/554226854.db2.gz HKZAQNGPVLDYBC-HSZRJFAPSA-N 0 0 511.625 2.571 40 0 KFABRN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCN(C(=O)c2cccs2)CC1)S(=O)(=O)c1ccccc1 ZINC000036625444 554226900 /nfs/dbraw/zinc/22/69/00/554226900.db2.gz HKZAQNGPVLDYBC-QHCPKHFHSA-N 0 0 511.625 2.571 40 0 KFABRN Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000036625459 554226902 /nfs/dbraw/zinc/22/69/02/554226902.db2.gz WLJXDOQQAZKUAP-RUZDIDTESA-N 0 0 505.596 2.509 40 0 KFABRN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000036625460 554226907 /nfs/dbraw/zinc/22/69/07/554226907.db2.gz WLJXDOQQAZKUAP-VWLOTQADSA-N 0 0 505.596 2.509 40 0 KFABRN Cc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000036625473 554226887 /nfs/dbraw/zinc/22/68/87/554226887.db2.gz SZHVREIABJPFEL-HSZRJFAPSA-N 0 0 511.625 2.571 40 0 KFABRN Cc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000036625474 554226865 /nfs/dbraw/zinc/22/68/65/554226865.db2.gz SZHVREIABJPFEL-QHCPKHFHSA-N 0 0 511.625 2.571 40 0 KFABRN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccccc2)C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000036625479 554227130 /nfs/dbraw/zinc/22/71/30/554227130.db2.gz NKOBOAVPVARJBR-QHCPKHFHSA-N 0 0 511.625 2.571 40 0 KFABRN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccccc2)C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000036625480 554227075 /nfs/dbraw/zinc/22/70/75/554227075.db2.gz NKOBOAVPVARJBR-HSZRJFAPSA-N 0 0 511.625 2.571 40 0 KFABRN CCCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000036625485 554227150 /nfs/dbraw/zinc/22/71/50/554227150.db2.gz DHSFGHYCRIWKCU-QHCPKHFHSA-N 0 0 506.024 2.649 40 0 KFABRN CCCC(=O)N1CCN(C(=O)[C@H](NC(=O)c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000036625486 554227108 /nfs/dbraw/zinc/22/71/08/554227108.db2.gz DHSFGHYCRIWKCU-HSZRJFAPSA-N 0 0 506.024 2.649 40 0 KFABRN CCCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036625507 554227140 /nfs/dbraw/zinc/22/71/40/554227140.db2.gz JIPQCVLUKCEJNV-QHCPKHFHSA-N 0 0 506.024 2.649 40 0 KFABRN CCCC(=O)N1CCN(C(=O)[C@H](NC(=O)c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036625508 554227111 /nfs/dbraw/zinc/22/71/11/554227111.db2.gz JIPQCVLUKCEJNV-HSZRJFAPSA-N 0 0 506.024 2.649 40 0 KFABRN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2cccs2)C(=O)N2CCN(C(=O)c3cccc(C)c3)CC2)cc1 ZINC000036625521 554227078 /nfs/dbraw/zinc/22/70/78/554227078.db2.gz NHOAQZYIVSRVDE-DEOSSOPVSA-N 0 0 525.652 2.879 40 0 KFABRN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2cccs2)C(=O)N2CCN(C(=O)c3cccc(C)c3)CC2)cc1 ZINC000036625522 554227127 /nfs/dbraw/zinc/22/71/27/554227127.db2.gz NHOAQZYIVSRVDE-XMMPIXPASA-N 0 0 525.652 2.879 40 0 KFABRN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccccc2)C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036625557 554227408 /nfs/dbraw/zinc/22/74/08/554227408.db2.gz TUISYNRTEWHNJP-VWLOTQADSA-N 0 0 505.596 2.509 40 0 KFABRN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccccc2)C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036625558 554227355 /nfs/dbraw/zinc/22/73/55/554227355.db2.gz TUISYNRTEWHNJP-RUZDIDTESA-N 0 0 505.596 2.509 40 0 KFABRN CCCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000036625609 554227612 /nfs/dbraw/zinc/22/76/12/554227612.db2.gz RGXOEUYCTLDPGG-QHCPKHFHSA-N 0 0 506.024 2.649 40 0 KFABRN CCCC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000036625610 554227551 /nfs/dbraw/zinc/22/75/51/554227551.db2.gz RGXOEUYCTLDPGG-HSZRJFAPSA-N 0 0 506.024 2.649 40 0 KFABRN NS(=O)(=O)c1ccc(NC(=O)CCn2c(=O)sc3c2SC[C@@H]2COc4ccccc4[C@H]32)cc1 ZINC000036633794 554230198 /nfs/dbraw/zinc/23/01/98/554230198.db2.gz UTVFJEAMEYLSFM-ORAYPTAESA-N 0 0 503.627 2.832 40 0 KFABRN NS(=O)(=O)c1ccc(NC(=O)CCn2c(=O)sc3c2SC[C@@H]2COc4ccccc4[C@@H]32)cc1 ZINC000036633795 554230137 /nfs/dbraw/zinc/23/01/37/554230137.db2.gz UTVFJEAMEYLSFM-DJJJIMSYSA-N 0 0 503.627 2.832 40 0 KFABRN NS(=O)(=O)c1ccc(NC(=O)CCn2c(=O)sc3c2SC[C@H]2COc4ccccc4[C@H]32)cc1 ZINC000036633796 554230153 /nfs/dbraw/zinc/23/01/53/554230153.db2.gz UTVFJEAMEYLSFM-BFUOFWGJSA-N 0 0 503.627 2.832 40 0 KFABRN NS(=O)(=O)c1ccc(NC(=O)CCn2c(=O)sc3c2SC[C@H]2COc4ccccc4[C@@H]32)cc1 ZINC000036633797 554230082 /nfs/dbraw/zinc/23/00/82/554230082.db2.gz UTVFJEAMEYLSFM-YJYMSZOUSA-N 0 0 503.627 2.832 40 0 KFABRN CC(C)(O)CCC(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@H]3CC=C4[C@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000038143730 290688596 /nfs/dbraw/zinc/68/85/96/290688596.db2.gz VVBWBGOEAVGFTN-DTYACPJOSA-N 0 0 520.707 2.944 40 0 biogenic,in-vitro KFABRN CC(C)(O)CCC(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000038143731 290688612 /nfs/dbraw/zinc/68/86/12/290688612.db2.gz VVBWBGOEAVGFTN-FEDHIQBYSA-N 0 0 520.707 2.944 40 0 biogenic,in-vitro KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000038144965 554266474 /nfs/dbraw/zinc/26/64/74/554266474.db2.gz IASZNDLFCYJBJD-RXVVDRJESA-N 0 0 527.578 2.655 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000038144966 554266448 /nfs/dbraw/zinc/26/64/48/554266448.db2.gz IASZNDLFCYJBJD-GHTZIAJQSA-N 0 0 527.578 2.655 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000038144967 554266367 /nfs/dbraw/zinc/26/63/67/554266367.db2.gz IASZNDLFCYJBJD-NQIIRXRSSA-N 0 0 527.578 2.655 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000038144968 554266471 /nfs/dbraw/zinc/26/64/71/554266471.db2.gz IASZNDLFCYJBJD-WIYYLYMNSA-N 0 0 527.578 2.655 40 0 KFABRN NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000038144981 554266637 /nfs/dbraw/zinc/26/66/37/554266637.db2.gz KWVLIBJWGWINLN-RXVVDRJESA-N 0 0 529.569 2.781 40 0 KFABRN NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000038144982 554266669 /nfs/dbraw/zinc/26/66/69/554266669.db2.gz KWVLIBJWGWINLN-GHTZIAJQSA-N 0 0 529.569 2.781 40 0 KFABRN NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000038144983 554266756 /nfs/dbraw/zinc/26/67/56/554266756.db2.gz KWVLIBJWGWINLN-NQIIRXRSSA-N 0 0 529.569 2.781 40 0 KFABRN NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000038144984 554266717 /nfs/dbraw/zinc/26/67/17/554266717.db2.gz KWVLIBJWGWINLN-WIYYLYMNSA-N 0 0 529.569 2.781 40 0 KFABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1OC ZINC000038145008 554266683 /nfs/dbraw/zinc/26/66/83/554266683.db2.gz JZBABAPOZUQWCY-JTSKRJEESA-N 0 0 539.614 2.525 40 0 KFABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1OC ZINC000038145009 554266631 /nfs/dbraw/zinc/26/66/31/554266631.db2.gz JZBABAPOZUQWCY-HTAPYJJXSA-N 0 0 539.614 2.525 40 0 KFABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1OC ZINC000038145010 554266714 /nfs/dbraw/zinc/26/67/14/554266714.db2.gz JZBABAPOZUQWCY-VGSWGCGISA-N 0 0 539.614 2.525 40 0 KFABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1OC ZINC000038145011 554266616 /nfs/dbraw/zinc/26/66/16/554266616.db2.gz JZBABAPOZUQWCY-VGOFRKELSA-N 0 0 539.614 2.525 40 0 KFABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1OC ZINC000038145016 554266621 /nfs/dbraw/zinc/26/66/21/554266621.db2.gz XZPIMYRDIIIFGA-MBSDFSHPSA-N 0 0 553.641 2.833 40 0 KFABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1OC ZINC000038145018 554266611 /nfs/dbraw/zinc/26/66/11/554266611.db2.gz XZPIMYRDIIIFGA-FDDCHVKYSA-N 0 0 553.641 2.833 40 0 KFABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1OC ZINC000038145020 554266990 /nfs/dbraw/zinc/26/69/90/554266990.db2.gz XZPIMYRDIIIFGA-JPYJTQIMSA-N 0 0 553.641 2.833 40 0 KFABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1OC ZINC000038145022 554266985 /nfs/dbraw/zinc/26/69/85/554266985.db2.gz XZPIMYRDIIIFGA-WZONZLPQSA-N 0 0 553.641 2.833 40 0 KFABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1N ZINC000038145028 554267016 /nfs/dbraw/zinc/26/70/16/554267016.db2.gz ZDUMZIRLKIBJGQ-UWJYYQICSA-N 0 0 544.033 2.862 40 0 KFABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1N ZINC000038145031 554266923 /nfs/dbraw/zinc/26/69/23/554266923.db2.gz ZDUMZIRLKIBJGQ-LAUBAEHRSA-N 0 0 544.033 2.862 40 0 KFABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1N ZINC000038145033 554266965 /nfs/dbraw/zinc/26/69/65/554266965.db2.gz ZDUMZIRLKIBJGQ-UTKZUKDTSA-N 0 0 544.033 2.862 40 0 KFABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1N ZINC000038145034 554267005 /nfs/dbraw/zinc/26/70/05/554267005.db2.gz ZDUMZIRLKIBJGQ-DYESRHJHSA-N 0 0 544.033 2.862 40 0 KFABRN Cc1cccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000038145035 554266910 /nfs/dbraw/zinc/26/69/10/554266910.db2.gz FWXRIOMPJLIMOI-REWPJTCUSA-N 0 0 539.633 2.993 40 0 KFABRN Cc1cccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000038145036 554266917 /nfs/dbraw/zinc/26/69/17/554266917.db2.gz FWXRIOMPJLIMOI-NZQKXSOJSA-N 0 0 539.633 2.993 40 0 KFABRN Cc1cccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000038145037 554266887 /nfs/dbraw/zinc/26/68/87/554266887.db2.gz FWXRIOMPJLIMOI-OFNKIYASSA-N 0 0 539.633 2.993 40 0 KFABRN Cc1cccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000038145038 554267001 /nfs/dbraw/zinc/26/70/01/554267001.db2.gz FWXRIOMPJLIMOI-NFBKMPQASA-N 0 0 539.633 2.993 40 0 KFABRN COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1OC ZINC000038145054 554266938 /nfs/dbraw/zinc/26/69/38/554266938.db2.gz UPAQIGNISDYHEB-CYFREDJKSA-N 0 0 585.658 2.702 40 0 KFABRN COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1OC ZINC000038145056 554267033 /nfs/dbraw/zinc/26/70/33/554267033.db2.gz UPAQIGNISDYHEB-YADARESESA-N 0 0 585.658 2.702 40 0 KFABRN COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1OC ZINC000038145058 554267025 /nfs/dbraw/zinc/26/70/25/554267025.db2.gz UPAQIGNISDYHEB-DVECYGJZSA-N 0 0 585.658 2.702 40 0 KFABRN COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1OC ZINC000038145060 554266996 /nfs/dbraw/zinc/26/69/96/554266996.db2.gz UPAQIGNISDYHEB-NTKDMRAZSA-N 0 0 585.658 2.702 40 0 KFABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000038145144 554267223 /nfs/dbraw/zinc/26/72/23/554267223.db2.gz OLXWZOLDKFMFMJ-MBSDFSHPSA-N 0 0 553.641 2.520 40 0 KFABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000038145145 554267194 /nfs/dbraw/zinc/26/71/94/554267194.db2.gz OLXWZOLDKFMFMJ-FDDCHVKYSA-N 0 0 553.641 2.520 40 0 KFABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000038145146 554267198 /nfs/dbraw/zinc/26/71/98/554267198.db2.gz OLXWZOLDKFMFMJ-JPYJTQIMSA-N 0 0 553.641 2.520 40 0 KFABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000038145147 554267217 /nfs/dbraw/zinc/26/72/17/554267217.db2.gz OLXWZOLDKFMFMJ-WZONZLPQSA-N 0 0 553.641 2.520 40 0 KFABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000038145148 554267190 /nfs/dbraw/zinc/26/71/90/554267190.db2.gz JWSABGHLQULOKB-BTYIYWSLSA-N 0 0 559.670 2.582 40 0 KFABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000038145149 554267187 /nfs/dbraw/zinc/26/71/87/554267187.db2.gz JWSABGHLQULOKB-YCRPNKLZSA-N 0 0 559.670 2.582 40 0 KFABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000038145150 554267205 /nfs/dbraw/zinc/26/72/05/554267205.db2.gz JWSABGHLQULOKB-VFNWGFHPSA-N 0 0 559.670 2.582 40 0 KFABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000038145151 554267227 /nfs/dbraw/zinc/26/72/27/554267227.db2.gz JWSABGHLQULOKB-QVKFZJNVSA-N 0 0 559.670 2.582 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc32)c1 ZINC000038145172 554267220 /nfs/dbraw/zinc/26/72/20/554267220.db2.gz PIRNECKNMJAWMT-SBUREZEXSA-N 0 0 548.625 2.997 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc32)c1 ZINC000038145173 554267160 /nfs/dbraw/zinc/26/71/60/554267160.db2.gz PIRNECKNMJAWMT-GAJHUEQPSA-N 0 0 548.625 2.997 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc32)c1 ZINC000038145174 554267212 /nfs/dbraw/zinc/26/72/12/554267212.db2.gz PIRNECKNMJAWMT-HXOBKFHXSA-N 0 0 548.625 2.997 40 0 KFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc32)c1 ZINC000038145175 554267183 /nfs/dbraw/zinc/26/71/83/554267183.db2.gz PIRNECKNMJAWMT-UZUQRXQVSA-N 0 0 548.625 2.997 40 0 KFABRN NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1N ZINC000038145727 554267650 /nfs/dbraw/zinc/26/76/50/554267650.db2.gz STVWARKEULRNRM-NRFANRHFSA-N 0 0 523.546 2.962 40 0 KFABRN NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1N ZINC000038145728 554267619 /nfs/dbraw/zinc/26/76/19/554267619.db2.gz STVWARKEULRNRM-OAQYLSRUSA-N 0 0 523.546 2.962 40 0 KFABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1 ZINC000038145862 554268301 /nfs/dbraw/zinc/26/83/01/554268301.db2.gz LEEGEPYAIONGQW-MBSDFSHPSA-N 0 0 551.625 2.587 40 0 KFABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1 ZINC000038145863 554268328 /nfs/dbraw/zinc/26/83/28/554268328.db2.gz LEEGEPYAIONGQW-FDDCHVKYSA-N 0 0 551.625 2.587 40 0 KFABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1 ZINC000038145864 554268203 /nfs/dbraw/zinc/26/82/03/554268203.db2.gz LEEGEPYAIONGQW-JPYJTQIMSA-N 0 0 551.625 2.587 40 0 KFABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1 ZINC000038145865 554268286 /nfs/dbraw/zinc/26/82/86/554268286.db2.gz LEEGEPYAIONGQW-WZONZLPQSA-N 0 0 551.625 2.587 40 0 KFABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2F)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000038145867 554268282 /nfs/dbraw/zinc/26/82/82/554268282.db2.gz VOKHBGDMCZTOPF-UWJYYQICSA-N 0 0 529.569 2.781 40 0 KFABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2F)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000038145869 554268493 /nfs/dbraw/zinc/26/84/93/554268493.db2.gz VOKHBGDMCZTOPF-LAUBAEHRSA-N 0 0 529.569 2.781 40 0 KFABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2F)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000038145870 554268593 /nfs/dbraw/zinc/26/85/93/554268593.db2.gz VOKHBGDMCZTOPF-UTKZUKDTSA-N 0 0 529.569 2.781 40 0 KFABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2F)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000038145871 554268672 /nfs/dbraw/zinc/26/86/72/554268672.db2.gz VOKHBGDMCZTOPF-DYESRHJHSA-N 0 0 529.569 2.781 40 0 KFABRN NC(=O)c1nsc(C(=O)N(CCCN2CCOCC2)[C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)c1N ZINC000038145873 554268573 /nfs/dbraw/zinc/26/85/73/554268573.db2.gz NKHCXPSYCZBMMT-QFIPXVFZSA-N 0 0 563.124 2.832 40 0 KFABRN NC(=O)c1nsc(C(=O)N(CCCN2CCOCC2)[C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)c1N ZINC000038145874 554268582 /nfs/dbraw/zinc/26/85/82/554268582.db2.gz NKHCXPSYCZBMMT-JOCHJYFZSA-N 0 0 563.124 2.832 40 0 KFABRN COC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145966 554269277 /nfs/dbraw/zinc/26/92/77/554269277.db2.gz AYDXLKZVIKXOTA-CUNXSJBXSA-N 0 0 579.606 2.883 40 0 KFABRN COC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145967 554269302 /nfs/dbraw/zinc/26/93/02/554269302.db2.gz AYDXLKZVIKXOTA-WXVAWEFUSA-N 0 0 579.606 2.883 40 0 KFABRN COC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145968 554269286 /nfs/dbraw/zinc/26/92/86/554269286.db2.gz AYDXLKZVIKXOTA-AMGIVPHBSA-N 0 0 579.606 2.883 40 0 KFABRN COC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145969 554269267 /nfs/dbraw/zinc/26/92/67/554269267.db2.gz AYDXLKZVIKXOTA-AJTFRIOCSA-N 0 0 579.606 2.883 40 0 KFABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2c1nnn2Cc1c(F)cccc1Cl ZINC000038145984 554269262 /nfs/dbraw/zinc/26/92/62/554269262.db2.gz YVXSZIAAMMFAEN-UHFFFAOYSA-N 0 0 560.995 2.695 40 0 KFABRN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCN(CC)CC3)ccc1OCC)[nH]c2=S ZINC000038384509 554274637 /nfs/dbraw/zinc/27/46/37/554274637.db2.gz BGPSRMUUQQTZFB-UHFFFAOYSA-N 0 0 504.682 2.996 40 0 in-vitro KFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 ZINC000038753953 554276067 /nfs/dbraw/zinc/27/60/67/554276067.db2.gz SSBOBPYFKSIMOI-UHFFFAOYSA-N 0 0 523.677 2.871 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000038755353 554276442 /nfs/dbraw/zinc/27/64/42/554276442.db2.gz WOCVLDCXSMXHLC-HNNXBMFYSA-N 0 0 516.041 2.926 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000038755355 554276340 /nfs/dbraw/zinc/27/63/40/554276340.db2.gz WOCVLDCXSMXHLC-OAHLLOKOSA-N 0 0 516.041 2.926 40 0 KFABRN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000038772743 554277226 /nfs/dbraw/zinc/27/72/26/554277226.db2.gz HBIFBFXGELACKC-QGZVFWFLSA-N 0 0 527.690 2.971 40 0 KFABRN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000038772746 554277303 /nfs/dbraw/zinc/27/73/03/554277303.db2.gz HBIFBFXGELACKC-KRWDZBQOSA-N 0 0 527.690 2.971 40 0 KFABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccc(CN3CCOCC3)cc1)O2 ZINC000038831917 554277827 /nfs/dbraw/zinc/27/78/27/554277827.db2.gz OTTDNYQEGGYAJI-XMMPIXPASA-N 0 0 501.649 2.660 40 0 KFABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccc(CN3CCOCC3)cc1)O2 ZINC000038831918 554277765 /nfs/dbraw/zinc/27/77/65/554277765.db2.gz OTTDNYQEGGYAJI-DEOSSOPVSA-N 0 0 501.649 2.660 40 0 KFABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1cccc(CN3CCOCC3)c1)O2 ZINC000038831929 554277851 /nfs/dbraw/zinc/27/78/51/554277851.db2.gz SPLGPTCRNDGBHP-XMMPIXPASA-N 0 0 501.649 2.660 40 0 KFABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1cccc(CN3CCOCC3)c1)O2 ZINC000038831930 554277801 /nfs/dbraw/zinc/27/78/01/554277801.db2.gz 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O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1Cc1ccco1)Cc1ccc2c(c1)OCO2)OCO3 ZINC000057643479 554364234 /nfs/dbraw/zinc/36/42/34/554364234.db2.gz XUIFOWDKNXIQMF-UHFFFAOYSA-N 0 0 514.498 2.816 40 0 KFABRN CC1(C)O[C@@H]2[C@@H](COCc3ccc(C#N)cc3)O[C@@H](n3c(Br)nc4c3ncnc4N)[C@@H]2O1 ZINC000059241215 554386368 /nfs/dbraw/zinc/38/63/68/554386368.db2.gz XSPCSNCZRVWYLT-NVQRDWNXSA-N 0 0 501.341 2.677 40 0 KFABRN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@]2(Cc3cccs3)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000059408808 554393221 /nfs/dbraw/zinc/39/32/21/554393221.db2.gz RQCUDQDTJPDZIU-BALWLHIASA-N 0 0 516.623 2.837 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000059418381 554394441 /nfs/dbraw/zinc/39/44/41/554394441.db2.gz ZHXBRDCXAJRRLZ-VVOOWDFBSA-N 0 0 510.568 2.530 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000059418382 193897789 /nfs/dbraw/zinc/89/77/89/193897789.db2.gz ZHXBRDCXAJRRLZ-JUTHHCEFSA-N 0 0 510.568 2.530 40 0 KFABRN 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000059418457 554394472 /nfs/dbraw/zinc/39/44/72/554394472.db2.gz MWFIYAMLOZZZJC-MFUBYVTQSA-N 0 0 522.579 2.741 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000059418458 193898227 /nfs/dbraw/zinc/89/82/27/193898227.db2.gz TTWDWUWPIOLWNU-RWTNITNYSA-N 0 0 522.579 2.741 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000059418459 554394443 /nfs/dbraw/zinc/39/44/43/554394443.db2.gz TTWDWUWPIOLWNU-MFUBYVTQSA-N 0 0 522.579 2.741 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000059418603 193898419 /nfs/dbraw/zinc/89/84/19/193898419.db2.gz BQIFUTDHLGSITD-IZBTWGKQSA-N 0 0 522.579 2.934 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000059418604 554394986 /nfs/dbraw/zinc/39/49/86/554394986.db2.gz BQIFUTDHLGSITD-DKOMQPSQSA-N 0 0 522.579 2.934 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000059418607 554395037 /nfs/dbraw/zinc/39/50/37/554395037.db2.gz WOSUGPXLGRKOTH-IZBTWGKQSA-N 0 0 522.579 2.934 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000059418608 554394983 /nfs/dbraw/zinc/39/49/83/554394983.db2.gz WOSUGPXLGRKOTH-DKOMQPSQSA-N 0 0 522.579 2.934 40 0 KFABRN COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1 ZINC000059677436 291765367 /nfs/dbraw/zinc/76/53/67/291765367.db2.gz FTCLAIAXKAGMBI-VQXQMPIVSA-N 0 0 598.557 2.931 40 0 biogenic,in-vitro KFABRN COc1ccc(-c2coc3cc(O[C@@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1 ZINC000059677439 554424037 /nfs/dbraw/zinc/42/40/37/554424037.db2.gz FTCLAIAXKAGMBI-AEZBWTHASA-N 0 0 598.557 2.931 40 0 biogenic,in-vitro KFABRN COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1 ZINC000059677442 554424017 /nfs/dbraw/zinc/42/40/17/554424017.db2.gz FTCLAIAXKAGMBI-DJLMICKFSA-N 0 0 598.557 2.931 40 0 biogenic,in-vitro KFABRN COc1ccc(-c2coc3cc(O[C@@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1 ZINC000059677445 554424114 /nfs/dbraw/zinc/42/41/14/554424114.db2.gz FTCLAIAXKAGMBI-ATVLPVODSA-N 0 0 598.557 2.931 40 0 biogenic,in-vitro KFABRN COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000059780912 554429691 /nfs/dbraw/zinc/42/96/91/554429691.db2.gz LQNVIJVXJCMVOC-NDEPHWFRSA-N 0 0 557.651 2.965 40 0 KFABRN COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000059780921 554429557 /nfs/dbraw/zinc/42/95/57/554429557.db2.gz LQNVIJVXJCMVOC-MUUNZHRXSA-N 0 0 557.651 2.965 40 0 KFABRN COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000059780927 554429528 /nfs/dbraw/zinc/42/95/28/554429528.db2.gz HCAIMUGZPNQTMZ-MHZLTWQESA-N 0 0 557.651 2.965 40 0 KFABRN COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000059780933 554429707 /nfs/dbraw/zinc/42/97/07/554429707.db2.gz HCAIMUGZPNQTMZ-HHHXNRCGSA-N 0 0 557.651 2.965 40 0 KFABRN Cc1cc(C)n2c(nnc2SCC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000059781698 554429979 /nfs/dbraw/zinc/42/99/79/554429979.db2.gz IDMDCZINXQBBJY-QFIPXVFZSA-N 0 0 545.625 2.981 40 0 KFABRN Cc1cc(C)n2c(nnc2SCC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000059781704 554429976 /nfs/dbraw/zinc/42/99/76/554429976.db2.gz IDMDCZINXQBBJY-JOCHJYFZSA-N 0 0 545.625 2.981 40 0 KFABRN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1Cl ZINC000059781914 554430419 /nfs/dbraw/zinc/43/04/19/554430419.db2.gz ISXKDBIOLLQOAQ-OAQYLSRUSA-N 0 0 537.970 2.837 40 0 KFABRN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1Cl ZINC000059781920 554430292 /nfs/dbraw/zinc/43/02/92/554430292.db2.gz ISXKDBIOLLQOAQ-NRFANRHFSA-N 0 0 537.970 2.837 40 0 KFABRN COC1=C[C@]23CCC[N@@H+]2CCc2cc4c(cc2[C@]3(C)[C@H]1OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)[O-])OCO4 ZINC000059817095 554431084 /nfs/dbraw/zinc/43/10/84/554431084.db2.gz DJIVDDPFKDEQIR-PAHDPSBJSA-N 0 0 545.629 2.666 40 0 investigational KFABRN COC1=C[C@]23CCC[N@@H+]2CCc2cc4c(cc2[C@]3(C)[C@@H]1OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)[O-])OCO4 ZINC000059817101 554430953 /nfs/dbraw/zinc/43/09/53/554430953.db2.gz DJIVDDPFKDEQIR-XDOPXQJJSA-N 0 0 545.629 2.666 40 0 investigational KFABRN COC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc(C(=O)OC)c1 ZINC000059833950 554433303 /nfs/dbraw/zinc/43/33/03/554433303.db2.gz MYRXHERCJOEQQP-QFIPXVFZSA-N 0 0 556.593 2.805 40 0 KFABRN COC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc(C(=O)OC)c1 ZINC000059833953 554433345 /nfs/dbraw/zinc/43/33/45/554433345.db2.gz MYRXHERCJOEQQP-JOCHJYFZSA-N 0 0 556.593 2.805 40 0 KFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000059834064 554433415 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/nfs/dbraw/zinc/44/56/28/554445628.db2.gz YAZDIYJHVIMSGM-UHFFFAOYSA-N 0 0 544.095 2.850 40 0 KFABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1Cl ZINC000059838145 554445656 /nfs/dbraw/zinc/44/56/56/554445656.db2.gz HAVXAROPVYYKKU-UHFFFAOYSA-N 0 0 552.074 2.893 40 0 KFABRN CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000059838159 554445601 /nfs/dbraw/zinc/44/56/01/554445601.db2.gz FGBGXBVRCYUVHQ-UHFFFAOYSA-N 0 0 544.095 2.850 40 0 KFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl ZINC000059838163 554445617 /nfs/dbraw/zinc/44/56/17/554445617.db2.gz PTYNKVOCUQFZOH-INIZCTEOSA-N 0 0 530.068 2.506 40 0 KFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl ZINC000059838164 554445644 /nfs/dbraw/zinc/44/56/44/554445644.db2.gz PTYNKVOCUQFZOH-MRXNPFEDSA-N 0 0 530.068 2.506 40 0 KFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl ZINC000059838174 554445635 /nfs/dbraw/zinc/44/56/35/554445635.db2.gz AWDLQQQKVZGDOC-KRWDZBQOSA-N 0 0 544.095 2.897 40 0 KFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl ZINC000059838177 554445636 /nfs/dbraw/zinc/44/56/36/554445636.db2.gz AWDLQQQKVZGDOC-QGZVFWFLSA-N 0 0 544.095 2.897 40 0 KFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl ZINC000059838178 554445648 /nfs/dbraw/zinc/44/56/48/554445648.db2.gz OJDFMIBXVHMOOV-INIZCTEOSA-N 0 0 530.068 2.506 40 0 KFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl ZINC000059838180 554445639 /nfs/dbraw/zinc/44/56/39/554445639.db2.gz OJDFMIBXVHMOOV-MRXNPFEDSA-N 0 0 530.068 2.506 40 0 KFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059838186 554445805 /nfs/dbraw/zinc/44/58/05/554445805.db2.gz DLFJPTJHYKRUMO-INIZCTEOSA-N 0 0 530.068 2.506 40 0 KFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059838187 554445765 /nfs/dbraw/zinc/44/57/65/554445765.db2.gz DLFJPTJHYKRUMO-MRXNPFEDSA-N 0 0 530.068 2.506 40 0 KFABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000059838201 554445820 /nfs/dbraw/zinc/44/58/20/554445820.db2.gz ICHILCTYODESOX-SANMLTNESA-N 0 0 541.695 2.986 40 0 KFABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000059838208 554445752 /nfs/dbraw/zinc/44/57/52/554445752.db2.gz ICHILCTYODESOX-AREMUKBSSA-N 0 0 541.695 2.986 40 0 KFABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059838215 554445771 /nfs/dbraw/zinc/44/57/71/554445771.db2.gz BGYPVOHLVLBTJN-HSZRJFAPSA-N 0 0 536.075 2.796 40 0 KFABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059838218 554445757 /nfs/dbraw/zinc/44/57/57/554445757.db2.gz BGYPVOHLVLBTJN-QHCPKHFHSA-N 0 0 536.075 2.796 40 0 KFABRN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000059838230 554445802 /nfs/dbraw/zinc/44/58/02/554445802.db2.gz JSDGYNSMLPOZCL-VWLOTQADSA-N 0 0 578.112 2.567 40 0 KFABRN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000059838234 554445824 /nfs/dbraw/zinc/44/58/24/554445824.db2.gz JSDGYNSMLPOZCL-RUZDIDTESA-N 0 0 578.112 2.567 40 0 KFABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000059838241 554445779 /nfs/dbraw/zinc/44/57/79/554445779.db2.gz WVNBMTJGVLASMR-HSZRJFAPSA-N 0 0 580.526 2.905 40 0 KFABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000059838244 554445785 /nfs/dbraw/zinc/44/57/85/554445785.db2.gz WVNBMTJGVLASMR-QHCPKHFHSA-N 0 0 580.526 2.905 40 0 KFABRN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000059838257 554445818 /nfs/dbraw/zinc/44/58/18/554445818.db2.gz KTFUBPQQDHSTAL-VWLOTQADSA-N 0 0 622.563 2.676 40 0 KFABRN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000059838259 554445750 /nfs/dbraw/zinc/44/57/50/554445750.db2.gz KTFUBPQQDHSTAL-RUZDIDTESA-N 0 0 622.563 2.676 40 0 KFABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 ZINC000059838291 554446157 /nfs/dbraw/zinc/44/61/57/554446157.db2.gz GUZOFSWSWDEUEV-MHZLTWQESA-N 0 0 585.748 2.839 40 0 KFABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 ZINC000059838295 554446135 /nfs/dbraw/zinc/44/61/35/554446135.db2.gz GUZOFSWSWDEUEV-HHHXNRCGSA-N 0 0 585.748 2.839 40 0 KFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC ZINC000059838312 554446187 /nfs/dbraw/zinc/44/61/87/554446187.db2.gz HUOCBCVITBCIQT-VWLOTQADSA-N 0 0 587.720 2.694 40 0 KFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC ZINC000059838316 554446071 /nfs/dbraw/zinc/44/60/71/554446071.db2.gz HUOCBCVITBCIQT-RUZDIDTESA-N 0 0 587.720 2.694 40 0 KFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000059838330 554446200 /nfs/dbraw/zinc/44/62/00/554446200.db2.gz ZBUOYZNRTREHIJ-HSZRJFAPSA-N 0 0 566.101 2.805 40 0 KFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000059838332 554446086 /nfs/dbraw/zinc/44/60/86/554446086.db2.gz ZBUOYZNRTREHIJ-QHCPKHFHSA-N 0 0 566.101 2.805 40 0 KFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl ZINC000059838346 554446145 /nfs/dbraw/zinc/44/61/45/554446145.db2.gz OBRMHWJTPHQWSS-VWLOTQADSA-N 0 0 608.138 2.576 40 0 KFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl ZINC000059838348 554446270 /nfs/dbraw/zinc/44/62/70/554446270.db2.gz OBRMHWJTPHQWSS-RUZDIDTESA-N 0 0 608.138 2.576 40 0 KFABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059838359 554446286 /nfs/dbraw/zinc/44/62/86/554446286.db2.gz ICRXBDMQRDXSMP-VWLOTQADSA-N 0 0 571.721 2.994 40 0 KFABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059838362 554446359 /nfs/dbraw/zinc/44/63/59/554446359.db2.gz ICRXBDMQRDXSMP-RUZDIDTESA-N 0 0 571.721 2.994 40 0 KFABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000059838374 554446276 /nfs/dbraw/zinc/44/62/76/554446276.db2.gz AZDVGXRBHPNBBF-VWLOTQADSA-N 0 0 545.658 2.816 40 0 KFABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000059838377 554446344 /nfs/dbraw/zinc/44/63/44/554446344.db2.gz AZDVGXRBHPNBBF-RUZDIDTESA-N 0 0 545.658 2.816 40 0 KFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000059838395 554446308 /nfs/dbraw/zinc/44/63/08/554446308.db2.gz DQTIIOOXDATUTK-SANMLTNESA-N 0 0 571.721 2.994 40 0 KFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000059838398 554446301 /nfs/dbraw/zinc/44/63/01/554446301.db2.gz DQTIIOOXDATUTK-AREMUKBSSA-N 0 0 571.721 2.994 40 0 KFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000059838414 554446326 /nfs/dbraw/zinc/44/63/26/554446326.db2.gz PPZIEEFMADNADS-JOCHJYFZSA-N 0 0 566.101 2.805 40 0 KFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000059838417 554446267 /nfs/dbraw/zinc/44/62/67/554446267.db2.gz PPZIEEFMADNADS-QFIPXVFZSA-N 0 0 566.101 2.805 40 0 KFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059838431 554446621 /nfs/dbraw/zinc/44/66/21/554446621.db2.gz DYOYGBSWRVEBMJ-DEOSSOPVSA-N 0 0 608.138 2.576 40 0 KFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059838436 554446601 /nfs/dbraw/zinc/44/66/01/554446601.db2.gz DYOYGBSWRVEBMJ-XMMPIXPASA-N 0 0 608.138 2.576 40 0 KFABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000059838451 554446653 /nfs/dbraw/zinc/44/66/53/554446653.db2.gz JSTWJABPYQBLNJ-UHFFFAOYSA-N 0 0 570.531 2.951 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1OC ZINC000059838456 554446637 /nfs/dbraw/zinc/44/66/37/554446637.db2.gz GVPFAYPBHFTLSG-UHFFFAOYSA-N 0 0 565.714 2.596 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1 ZINC000059838466 554446633 /nfs/dbraw/zinc/44/66/33/554446633.db2.gz TZPJEJNNHCMTQL-UHFFFAOYSA-N 0 0 535.688 2.587 40 0 KFABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000059838475 554446655 /nfs/dbraw/zinc/44/66/55/554446655.db2.gz NSACCHVOCWZIQM-UHFFFAOYSA-N 0 0 534.487 2.961 40 0 KFABRN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000059838483 554446607 /nfs/dbraw/zinc/44/66/07/554446607.db2.gz JJCSOMICCCGTTJ-UHFFFAOYSA-N 0 0 576.524 2.731 40 0 KFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)c1 ZINC000059838505 554446646 /nfs/dbraw/zinc/44/66/46/554446646.db2.gz LNYFRYSLMUSPRE-UHFFFAOYSA-N 0 0 565.714 2.596 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1Cl ZINC000059838522 554446619 /nfs/dbraw/zinc/44/66/19/554446619.db2.gz ARYJCDZNPGDEQR-UHFFFAOYSA-N 0 0 556.106 2.850 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1C ZINC000059838529 554446782 /nfs/dbraw/zinc/44/67/82/554446782.db2.gz PZLSONQYNNMOCC-UHFFFAOYSA-N 0 0 549.715 2.895 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1C ZINC000059838532 554446789 /nfs/dbraw/zinc/44/67/89/554446789.db2.gz OMBKLNXQEPHKLP-UHFFFAOYSA-N 0 0 535.688 2.505 40 0 KFABRN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000059838538 554446819 /nfs/dbraw/zinc/44/68/19/554446819.db2.gz RVFYRWHPKBJAPA-UHFFFAOYSA-N 0 0 549.715 2.895 40 0 KFABRN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000059838540 554446836 /nfs/dbraw/zinc/44/68/36/554446836.db2.gz AJECLLNTZPTERM-UHFFFAOYSA-N 0 0 535.688 2.505 40 0 KFABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000059838556 554446798 /nfs/dbraw/zinc/44/67/98/554446798.db2.gz TXPGZXSKBZCJMW-LJQANCHMSA-N 0 0 570.531 2.951 40 0 KFABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000059838557 554446761 /nfs/dbraw/zinc/44/67/61/554446761.db2.gz TXPGZXSKBZCJMW-IBGZPJMESA-N 0 0 570.531 2.951 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1 ZINC000059838567 554446756 /nfs/dbraw/zinc/44/67/56/554446756.db2.gz FYTGPHVNPUFCCU-NRFANRHFSA-N 0 0 535.688 2.587 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1 ZINC000059838571 554446742 /nfs/dbraw/zinc/44/67/42/554446742.db2.gz FYTGPHVNPUFCCU-OAQYLSRUSA-N 0 0 535.688 2.587 40 0 KFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1C ZINC000059838580 554446839 /nfs/dbraw/zinc/44/68/39/554446839.db2.gz YYIQYPRIVIWPAR-QFIPXVFZSA-N 0 0 549.715 2.895 40 0 KFABRN 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COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)N[C@@]21c2ccccc2N(CC(=O)N2CCc3ccccc32)C1=O ZINC000100164723 554236181 /nfs/dbraw/zinc/23/61/81/554236181.db2.gz OGNKSVOBEJANPK-SPBCFDDISA-N 0 0 536.588 2.624 40 0 KFABRN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C)N[C@@]32c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)cc1 ZINC000100164734 554236252 /nfs/dbraw/zinc/23/62/52/554236252.db2.gz DWYLCFZEMJWYFF-QAOQQRABSA-N 0 0 563.614 2.574 40 0 KFABRN C[C@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000100166572 554236792 /nfs/dbraw/zinc/23/67/92/554236792.db2.gz MFHRRANWHRMBCO-JJROJLJVSA-N 0 0 520.589 2.611 40 0 KFABRN CC(=O)NCCN(C)c1ccc2c(c1)O[C@H]1C=C(N(C)CCNC(C)=O)C=C[C@@H]1[C@]21OC(=O)c2ccccc21 ZINC000100225223 554252624 /nfs/dbraw/zinc/25/26/24/554252624.db2.gz DZABLMRNITYWGN-XXJPWZBZSA-N 0 0 530.625 2.572 40 0 in-vitro KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100225544 554252956 /nfs/dbraw/zinc/25/29/56/554252956.db2.gz SJTKREGAKLEHGI-FNUHDPNESA-N 0 0 602.463 2.719 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100225547 554253000 /nfs/dbraw/zinc/25/30/00/554253000.db2.gz SJTKREGAKLEHGI-PZDOZLBDSA-N 0 0 602.463 2.719 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100263024 554265993 /nfs/dbraw/zinc/26/59/93/554265993.db2.gz GCMADUSEPXWWKK-XOYGFPHKSA-N 0 0 554.621 2.841 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100263028 554265951 /nfs/dbraw/zinc/26/59/51/554265951.db2.gz GCMADUSEPXWWKK-YJADQXIJSA-N 0 0 554.621 2.841 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100270932 554269722 /nfs/dbraw/zinc/26/97/22/554269722.db2.gz REEALSYYUAZFIG-LJJBLSSYSA-N 0 0 554.621 2.841 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100270934 554269701 /nfs/dbraw/zinc/26/97/01/554269701.db2.gz REEALSYYUAZFIG-CVGPFBNFSA-N 0 0 554.621 2.841 40 0 KFABRN NS(=O)(=O)c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000100274101 554271061 /nfs/dbraw/zinc/27/10/61/554271061.db2.gz WJICOQNVAWYVNE-UHFFFAOYSA-N 0 0 538.445 2.926 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1 ZINC000100275889 554272478 /nfs/dbraw/zinc/27/24/78/554272478.db2.gz HVZWOEZEHAHMAM-DEOSSOPVSA-N 0 0 541.628 2.588 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1 ZINC000100275894 554272494 /nfs/dbraw/zinc/27/24/94/554272494.db2.gz HVZWOEZEHAHMAM-XMMPIXPASA-N 0 0 541.628 2.588 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC ZINC000100276061 554272501 /nfs/dbraw/zinc/27/25/01/554272501.db2.gz HVEMTLAXTXUGQH-CYFREDJKSA-N 0 0 540.621 2.922 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC ZINC000100276064 554272768 /nfs/dbraw/zinc/27/27/68/554272768.db2.gz HVEMTLAXTXUGQH-YADARESESA-N 0 0 540.621 2.922 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC ZINC000100276067 554272737 /nfs/dbraw/zinc/27/27/37/554272737.db2.gz HVEMTLAXTXUGQH-DVECYGJZSA-N 0 0 540.621 2.922 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC ZINC000100276071 554272757 /nfs/dbraw/zinc/27/27/57/554272757.db2.gz HVEMTLAXTXUGQH-NTKDMRAZSA-N 0 0 540.621 2.922 40 0 KFABRN COc1ccc(CCN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@@H](C)C(=O)NC2CCCC2)cc1OC ZINC000100276306 554273064 /nfs/dbraw/zinc/27/30/64/554273064.db2.gz QMYAQKUXKRCPSO-IBGZPJMESA-N 0 0 566.659 2.893 40 0 KFABRN COc1ccc(CCN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C)C(=O)NC2CCCC2)cc1OC ZINC000100276309 554273076 /nfs/dbraw/zinc/27/30/76/554273076.db2.gz QMYAQKUXKRCPSO-LJQANCHMSA-N 0 0 566.659 2.893 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000100276312 554273042 /nfs/dbraw/zinc/27/30/42/554273042.db2.gz PUCYXRNMYVIXAR-QGZVFWFLSA-N 0 0 536.589 2.562 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000100276361 554273089 /nfs/dbraw/zinc/27/30/89/554273089.db2.gz RJDDCTUAZROAGG-LJAQVGFWSA-N 0 0 609.703 2.847 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000100276364 554273112 /nfs/dbraw/zinc/27/31/12/554273112.db2.gz RJDDCTUAZROAGG-GDLZYMKVSA-N 0 0 609.703 2.847 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1OC ZINC000100276482 554273391 /nfs/dbraw/zinc/27/33/91/554273391.db2.gz UQUFTQIEAFJYHI-CPJSRVTESA-N 0 0 538.605 2.758 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1OC ZINC000100276485 554273336 /nfs/dbraw/zinc/27/33/36/554273336.db2.gz UQUFTQIEAFJYHI-NLFFAJNJSA-N 0 0 538.605 2.758 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1OC ZINC000100276487 554273409 /nfs/dbraw/zinc/27/34/09/554273409.db2.gz UQUFTQIEAFJYHI-NBGIEHNGSA-N 0 0 538.605 2.758 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1OC ZINC000100276490 554273290 /nfs/dbraw/zinc/27/32/90/554273290.db2.gz UQUFTQIEAFJYHI-CJFMBICVSA-N 0 0 538.605 2.758 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000100276782 554273920 /nfs/dbraw/zinc/27/39/20/554273920.db2.gz GGPLKJCTRKMSPV-LJAQVGFWSA-N 0 0 609.703 2.847 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000100276783 554273961 /nfs/dbraw/zinc/27/39/61/554273961.db2.gz GGPLKJCTRKMSPV-GDLZYMKVSA-N 0 0 609.703 2.847 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)o1 ZINC000100276786 554273964 /nfs/dbraw/zinc/27/39/64/554273964.db2.gz FDVHOXXEFLWFHG-AREMUKBSSA-N 0 0 553.639 2.732 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1OC ZINC000100277233 554274794 /nfs/dbraw/zinc/27/47/94/554274794.db2.gz SVSOARRIOWVQMO-PXNSSMCTSA-N 0 0 543.024 2.723 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1OC ZINC000100277235 554274791 /nfs/dbraw/zinc/27/47/91/554274791.db2.gz SVSOARRIOWVQMO-XLIONFOSSA-N 0 0 543.024 2.723 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C)C(=O)NC[C@H]3CCCO3)n2)cc1OC ZINC000100277237 554274755 /nfs/dbraw/zinc/27/47/55/554274755.db2.gz SVSOARRIOWVQMO-FXAWDEMLSA-N 0 0 543.024 2.723 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C)C(=O)NC[C@H]3CCCO3)n2)cc1OC ZINC000100277239 554274925 /nfs/dbraw/zinc/27/49/25/554274925.db2.gz SVSOARRIOWVQMO-YLJYHZDGSA-N 0 0 543.024 2.723 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277311 554274945 /nfs/dbraw/zinc/27/49/45/554274945.db2.gz HBHXJMCWVQQFKN-WCYRKSIYSA-N 0 0 582.633 2.541 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277314 554274932 /nfs/dbraw/zinc/27/49/32/554274932.db2.gz HBHXJMCWVQQFKN-OBTVHEKISA-N 0 0 582.633 2.541 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277317 554274994 /nfs/dbraw/zinc/27/49/94/554274994.db2.gz HBHXJMCWVQQFKN-VMODYCNZSA-N 0 0 582.633 2.541 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277320 554274991 /nfs/dbraw/zinc/27/49/91/554274991.db2.gz HBHXJMCWVQQFKN-QHWMMSMNSA-N 0 0 582.633 2.541 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1OC ZINC000100277476 554275237 /nfs/dbraw/zinc/27/52/37/554275237.db2.gz CXBCVOGOZCFMAP-KMRXNPHXSA-N 0 0 604.620 2.744 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1OC ZINC000100277479 554275267 /nfs/dbraw/zinc/27/52/67/554275267.db2.gz CXBCVOGOZCFMAP-RBTNQOKQSA-N 0 0 604.620 2.744 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1OC ZINC000100277483 554275521 /nfs/dbraw/zinc/27/55/21/554275521.db2.gz CXBCVOGOZCFMAP-PIKZIKFNSA-N 0 0 604.620 2.744 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1OC ZINC000100277487 554275513 /nfs/dbraw/zinc/27/55/13/554275513.db2.gz CXBCVOGOZCFMAP-LYZGTLIUSA-N 0 0 604.620 2.744 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1OC ZINC000100277511 554275549 /nfs/dbraw/zinc/27/55/49/554275549.db2.gz SDQUVHJODLQOJL-DFBJGRDBSA-N 0 0 550.572 2.609 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1OC ZINC000100277513 554275488 /nfs/dbraw/zinc/27/54/88/554275488.db2.gz SDQUVHJODLQOJL-UQBPGWFLSA-N 0 0 550.572 2.609 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1OC ZINC000100277518 554275479 /nfs/dbraw/zinc/27/54/79/554275479.db2.gz SDQUVHJODLQOJL-CLOONOSVSA-N 0 0 550.572 2.609 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1OC ZINC000100277521 554275540 /nfs/dbraw/zinc/27/55/40/554275540.db2.gz SDQUVHJODLQOJL-KBMIEXCESA-N 0 0 550.572 2.609 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277686 554275828 /nfs/dbraw/zinc/27/58/28/554275828.db2.gz BIHDQZRBDFXRFY-FNZWTVRRSA-N 0 0 564.599 2.917 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277689 554275790 /nfs/dbraw/zinc/27/57/90/554275790.db2.gz BIHDQZRBDFXRFY-RXFWQSSRSA-N 0 0 564.599 2.917 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277692 554275810 /nfs/dbraw/zinc/27/58/10/554275810.db2.gz BIHDQZRBDFXRFY-IBVKSMDESA-N 0 0 564.599 2.917 40 0 KFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277696 554275826 /nfs/dbraw/zinc/27/58/26/554275826.db2.gz BIHDQZRBDFXRFY-FQRUVTKNSA-N 0 0 564.599 2.917 40 0 KFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1OC ZINC000100284294 554277869 /nfs/dbraw/zinc/27/78/69/554277869.db2.gz AAOMFALLFWYTAS-JTSKRJEESA-N 0 0 557.604 2.664 40 0 KFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1OC ZINC000100284297 554277847 /nfs/dbraw/zinc/27/78/47/554277847.db2.gz AAOMFALLFWYTAS-HTAPYJJXSA-N 0 0 557.604 2.664 40 0 KFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1OC ZINC000100284300 554277788 /nfs/dbraw/zinc/27/77/88/554277788.db2.gz AAOMFALLFWYTAS-VGSWGCGISA-N 0 0 557.604 2.664 40 0 KFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1OC ZINC000100284303 554277842 /nfs/dbraw/zinc/27/78/42/554277842.db2.gz AAOMFALLFWYTAS-VGOFRKELSA-N 0 0 557.604 2.664 40 0 KFABRN Cc1ccccc1CCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000100284336 554277866 /nfs/dbraw/zinc/27/78/66/554277866.db2.gz AGYIEYRHGLMCQU-REWPJTCUSA-N 0 0 539.633 2.993 40 0 KFABRN Cc1ccccc1CCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000100284339 554277876 /nfs/dbraw/zinc/27/78/76/554277876.db2.gz AGYIEYRHGLMCQU-NZQKXSOJSA-N 0 0 539.633 2.993 40 0 KFABRN Cc1ccccc1CCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000100284342 554277809 /nfs/dbraw/zinc/27/78/09/554277809.db2.gz AGYIEYRHGLMCQU-OFNKIYASSA-N 0 0 539.633 2.993 40 0 KFABRN Cc1ccccc1CCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000100284344 554277816 /nfs/dbraw/zinc/27/78/16/554277816.db2.gz AGYIEYRHGLMCQU-NFBKMPQASA-N 0 0 539.633 2.993 40 0 KFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(O)cc2)cc1OC ZINC000100284902 554278850 /nfs/dbraw/zinc/27/88/50/554278850.db2.gz POJDUJOOWGGBTM-QFIPXVFZSA-N 0 0 539.614 2.994 40 0 KFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(O)cc2)cc1OC ZINC000100284907 554279123 /nfs/dbraw/zinc/27/91/23/554279123.db2.gz POJDUJOOWGGBTM-JOCHJYFZSA-N 0 0 539.614 2.994 40 0 KFABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N ZINC000100285003 554279208 /nfs/dbraw/zinc/27/92/08/554279208.db2.gz XIRNTKQXIRGEMT-HSZRJFAPSA-N 0 0 545.577 2.963 40 0 KFABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N ZINC000100285006 554279202 /nfs/dbraw/zinc/27/92/02/554279202.db2.gz XIRNTKQXIRGEMT-QHCPKHFHSA-N 0 0 545.577 2.963 40 0 KFABRN NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc(-c3ccccc3)n2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 ZINC000100285499 554279431 /nfs/dbraw/zinc/27/94/31/554279431.db2.gz FBVAREYGWXBIEF-VWLOTQADSA-N 0 0 563.640 2.804 40 0 KFABRN NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc(-c3ccccc3)n2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1 ZINC000100285500 554279345 /nfs/dbraw/zinc/27/93/45/554279345.db2.gz FBVAREYGWXBIEF-RUZDIDTESA-N 0 0 563.640 2.804 40 0 KFABRN NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000100285730 554279644 /nfs/dbraw/zinc/27/96/44/554279644.db2.gz HDCQKWLGBPFXKJ-DEOSSOPVSA-N 0 0 538.655 2.974 40 0 KFABRN NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000100285732 554279598 /nfs/dbraw/zinc/27/95/98/554279598.db2.gz HDCQKWLGBPFXKJ-XMMPIXPASA-N 0 0 538.655 2.974 40 0 KFABRN NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 ZINC000100285759 554279614 /nfs/dbraw/zinc/27/96/14/554279614.db2.gz AQPJRIPYQPXYHD-VWLOTQADSA-N 0 0 536.614 2.895 40 0 KFABRN NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1 ZINC000100285760 554279632 /nfs/dbraw/zinc/27/96/32/554279632.db2.gz AQPJRIPYQPXYHD-RUZDIDTESA-N 0 0 536.614 2.895 40 0 KFABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCN2CCOCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000100286878 554280568 /nfs/dbraw/zinc/28/05/68/554280568.db2.gz VAFDPNQWOBLUKL-VWLOTQADSA-N 0 0 537.640 2.604 40 0 KFABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(CCN2CCOCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000100286880 554280582 /nfs/dbraw/zinc/28/05/82/554280582.db2.gz VAFDPNQWOBLUKL-RUZDIDTESA-N 0 0 537.640 2.604 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NCc3ccccc3)c3ccc(F)cc3)n2)o1 ZINC000100290207 554283410 /nfs/dbraw/zinc/28/34/10/554283410.db2.gz RTXOINDOXADWSW-NDEPHWFRSA-N 0 0 575.645 2.989 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NCc3ccccc3)c3ccc(F)cc3)n2)o1 ZINC000100290210 554283461 /nfs/dbraw/zinc/28/34/61/554283461.db2.gz RTXOINDOXADWSW-MUUNZHRXSA-N 0 0 575.645 2.989 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NCc3ccccc3)c3cccs3)n2)o1 ZINC000100290300 554283428 /nfs/dbraw/zinc/28/34/28/554283428.db2.gz JTLBJDOBZXNOHR-SANMLTNESA-N 0 0 563.684 2.912 40 0 KFABRN Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NCc3ccccc3)c3cccs3)n2)o1 ZINC000100290302 554283403 /nfs/dbraw/zinc/28/34/03/554283403.db2.gz JTLBJDOBZXNOHR-AREMUKBSSA-N 0 0 563.684 2.912 40 0 KFABRN O=C(CN(Cc1ccccc1Cl)C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NC1CCCC1 ZINC000100293883 554286033 /nfs/dbraw/zinc/28/60/33/554286033.db2.gz LLHJRGUOLZUYLX-PSXMRANNSA-N 0 0 534.034 2.844 40 0 KFABRN O=C(CN(Cc1ccccc1Cl)C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NC1CCCC1 ZINC000100293887 554285987 /nfs/dbraw/zinc/28/59/87/554285987.db2.gz LLHJRGUOLZUYLX-BHVANESWSA-N 0 0 534.034 2.844 40 0 KFABRN O=C(CN(Cc1ccc(F)cc1)C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000100294405 554286789 /nfs/dbraw/zinc/28/67/89/554286789.db2.gz WIRJPABFGNXQSB-DIPNUNPCSA-N 0 0 531.606 2.719 40 0 KFABRN O=C(CN(Cc1ccc(F)cc1)C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000100294409 554286761 /nfs/dbraw/zinc/28/67/61/554286761.db2.gz WIRJPABFGNXQSB-QNGWXLTQSA-N 0 0 531.606 2.719 40 0 KFABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000100294474 554286777 /nfs/dbraw/zinc/28/67/77/554286777.db2.gz DTBRRTAXHQLEKN-VWLOTQADSA-N 0 0 570.693 2.527 40 0 KFABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000100294479 554286782 /nfs/dbraw/zinc/28/67/82/554286782.db2.gz DTBRRTAXHQLEKN-RUZDIDTESA-N 0 0 570.693 2.527 40 0 KFABRN O=C(CN(Cc1ccc(F)cc1)C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000100295008 554287684 /nfs/dbraw/zinc/28/76/84/554287684.db2.gz NCNTXQCBNWEBDP-KXQOOQHDSA-N 0 0 539.585 2.587 40 0 KFABRN O=C(CN(Cc1ccc(F)cc1)C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000100295012 554287621 /nfs/dbraw/zinc/28/76/21/554287621.db2.gz NCNTXQCBNWEBDP-LHEWISCISA-N 0 0 539.585 2.587 40 0 KFABRN O=C(CN(Cc1cccs1)C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000100295015 554287679 /nfs/dbraw/zinc/28/76/79/554287679.db2.gz KLJLJMXCMQRWBP-PSXMRANNSA-N 0 0 527.624 2.509 40 0 KFABRN O=C(CN(Cc1cccs1)C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000100295018 554287665 /nfs/dbraw/zinc/28/76/65/554287665.db2.gz KLJLJMXCMQRWBP-BHVANESWSA-N 0 0 527.624 2.509 40 0 KFABRN Cn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000100306904 554295228 /nfs/dbraw/zinc/29/52/28/554295228.db2.gz WEMJKSCRIYMTPJ-UHFFFAOYSA-N 0 0 534.689 2.569 40 0 KFABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC ZINC000100309683 554298983 /nfs/dbraw/zinc/29/89/83/554298983.db2.gz ZZGSXYJFAFTYGO-MBSDFSHPSA-N 0 0 553.641 2.833 40 0 KFABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC ZINC000100309685 554298931 /nfs/dbraw/zinc/29/89/31/554298931.db2.gz ZZGSXYJFAFTYGO-FDDCHVKYSA-N 0 0 553.641 2.833 40 0 KFABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC ZINC000100309688 554298966 /nfs/dbraw/zinc/29/89/66/554298966.db2.gz ZZGSXYJFAFTYGO-JPYJTQIMSA-N 0 0 553.641 2.833 40 0 KFABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC ZINC000100309691 554298920 /nfs/dbraw/zinc/29/89/20/554298920.db2.gz ZZGSXYJFAFTYGO-WZONZLPQSA-N 0 0 553.641 2.833 40 0 KFABRN 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ZINC000100446595 554395038 /nfs/dbraw/zinc/39/50/38/554395038.db2.gz ODWDLTITNMIKTD-UHFFFAOYSA-N 0 0 597.723 2.764 40 0 KFABRN COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)CC1 ZINC000100451132 554395292 /nfs/dbraw/zinc/39/52/92/554395292.db2.gz NFRACMHPVYCFNI-UHFFFAOYSA-N 0 0 556.714 2.716 40 0 KFABRN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[nH]3)C2)cc1 ZINC000100467226 554398129 /nfs/dbraw/zinc/39/81/29/554398129.db2.gz UDCZJOSAADGWCV-KRWDZBQOSA-N 0 0 543.005 2.984 40 0 KFABRN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[nH]3)C2)cc1 ZINC000100467230 554398169 /nfs/dbraw/zinc/39/81/69/554398169.db2.gz UDCZJOSAADGWCV-QGZVFWFLSA-N 0 0 543.005 2.984 40 0 KFABRN COC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[nH]3)CC2)cc1 ZINC000100467240 554398186 /nfs/dbraw/zinc/39/81/86/554398186.db2.gz HMFZBUPESJAQAN-UHFFFAOYSA-N 0 0 543.005 2.984 40 0 KFABRN COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)c1 ZINC000100468806 554398062 /nfs/dbraw/zinc/39/80/62/554398062.db2.gz LGFSJCOYYXOJMB-VWLOTQADSA-N 0 0 539.654 2.874 40 0 KFABRN COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)c1 ZINC000100468809 554398152 /nfs/dbraw/zinc/39/81/52/554398152.db2.gz LGFSJCOYYXOJMB-RUZDIDTESA-N 0 0 539.654 2.874 40 0 KFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)c1OC ZINC000100468813 554398165 /nfs/dbraw/zinc/39/81/65/554398165.db2.gz DSPXAOGPACTJEZ-DEOSSOPVSA-N 0 0 539.654 2.874 40 0 KFABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)c1OC ZINC000100468817 554398175 /nfs/dbraw/zinc/39/81/75/554398175.db2.gz DSPXAOGPACTJEZ-XMMPIXPASA-N 0 0 539.654 2.874 40 0 KFABRN COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000100468826 554398178 /nfs/dbraw/zinc/39/81/78/554398178.db2.gz PEOQEYQKVKTFFV-SANMLTNESA-N 0 0 539.654 2.874 40 0 KFABRN COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000100468830 554398198 /nfs/dbraw/zinc/39/81/98/554398198.db2.gz PEOQEYQKVKTFFV-AREMUKBSSA-N 0 0 539.654 2.874 40 0 KFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1OC ZINC000100468834 554398081 /nfs/dbraw/zinc/39/80/81/554398081.db2.gz WSYWZPASRZWNOI-VWLOTQADSA-N 0 0 539.654 2.874 40 0 KFABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1OC ZINC000100468836 554398068 /nfs/dbraw/zinc/39/80/68/554398068.db2.gz WSYWZPASRZWNOI-RUZDIDTESA-N 0 0 539.654 2.874 40 0 KFABRN COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000100468841 554398195 /nfs/dbraw/zinc/39/81/95/554398195.db2.gz SNZMZZAPESXVQO-NRFANRHFSA-N 0 0 557.591 2.739 40 0 KFABRN COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000100468843 554398201 /nfs/dbraw/zinc/39/82/01/554398201.db2.gz SNZMZZAPESXVQO-OAQYLSRUSA-N 0 0 557.591 2.739 40 0 KFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1OC ZINC000100468846 554398356 /nfs/dbraw/zinc/39/83/56/554398356.db2.gz VOBGCSTWPFNNDR-FQEVSTJZSA-N 0 0 557.591 2.739 40 0 KFABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1OC ZINC000100468849 554398435 /nfs/dbraw/zinc/39/84/35/554398435.db2.gz VOBGCSTWPFNNDR-HXUWFJFHSA-N 0 0 557.591 2.739 40 0 KFABRN COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000100468859 554398389 /nfs/dbraw/zinc/39/83/89/554398389.db2.gz NWCDHFMBCHJRIQ-QFIPXVFZSA-N 0 0 557.591 2.739 40 0 KFABRN COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000100468863 554398454 /nfs/dbraw/zinc/39/84/54/554398454.db2.gz NWCDHFMBCHJRIQ-JOCHJYFZSA-N 0 0 557.591 2.739 40 0 KFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1OC ZINC000100468865 554398494 /nfs/dbraw/zinc/39/84/94/554398494.db2.gz SNDHHHAZAWNEFN-NRFANRHFSA-N 0 0 557.591 2.739 40 0 KFABRN 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KFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4cccc(F)c4)c(=O)[nH]3)CC2)cc1 ZINC000100471638 554399142 /nfs/dbraw/zinc/39/91/42/554399142.db2.gz QYOANBLQRQYSRI-UHFFFAOYSA-N 0 0 525.566 2.641 40 0 KFABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCC4)cc3)CC2)nc2c1nnn2Cc1cccc(F)c1 ZINC000100471688 554399207 /nfs/dbraw/zinc/39/92/07/554399207.db2.gz CLAVSGURRGNZJZ-UHFFFAOYSA-N 0 0 615.713 2.904 40 0 KFABRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4c(F)cccc4Cl)c(=O)[nH]3)CC2)cc1 ZINC000100471783 554399186 /nfs/dbraw/zinc/39/91/86/554399186.db2.gz BMCQJFKLTZQFNQ-UHFFFAOYSA-N 0 0 610.093 2.586 40 0 KFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1OC ZINC000100471991 554399434 /nfs/dbraw/zinc/39/94/34/554399434.db2.gz PWFQDXMLYDPZMJ-FQEVSTJZSA-N 0 0 557.591 2.739 40 0 KFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1OC ZINC000100471994 554399412 /nfs/dbraw/zinc/39/94/12/554399412.db2.gz PWFQDXMLYDPZMJ-HXUWFJFHSA-N 0 0 557.591 2.739 40 0 KFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000100472000 554399428 /nfs/dbraw/zinc/39/94/28/554399428.db2.gz KOTWTUIYGLEYQV-NRFANRHFSA-N 0 0 557.591 2.739 40 0 KFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000100472003 554399419 /nfs/dbraw/zinc/39/94/19/554399419.db2.gz KOTWTUIYGLEYQV-OAQYLSRUSA-N 0 0 557.591 2.739 40 0 KFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1OC ZINC000100472014 554399480 /nfs/dbraw/zinc/39/94/80/554399480.db2.gz HVRLOEOBPZWHKG-NRFANRHFSA-N 0 0 557.591 2.739 40 0 KFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1OC ZINC000100472018 554399488 /nfs/dbraw/zinc/39/94/88/554399488.db2.gz HVRLOEOBPZWHKG-OAQYLSRUSA-N 0 0 557.591 2.739 40 0 KFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1OC ZINC000100472022 554399471 /nfs/dbraw/zinc/39/94/71/554399471.db2.gz XDHAXZWLLZFTRN-VWLOTQADSA-N 0 0 539.654 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CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCCCOC)cc1 ZINC000222869916 571407913 /nfs/dbraw/zinc/40/79/13/571407913.db2.gz CGYOWUVTNAQPAC-LJQANCHMSA-N 0 0 507.628 2.627 40 0 KFABRN CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)NC)c1ccc2c(c1)OCO2 ZINC000222870966 571407980 /nfs/dbraw/zinc/40/79/80/571407980.db2.gz FBQNKQDHMXBSEU-VWLOTQADSA-N 0 0 567.664 2.966 40 0 KFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222871312 571408088 /nfs/dbraw/zinc/40/80/88/571408088.db2.gz MEDOSHBHBGVCPN-AREMUKBSSA-N 0 0 556.660 2.833 40 0 KFABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222871379 571408108 /nfs/dbraw/zinc/40/81/08/571408108.db2.gz MEDOSHBHBGVCPN-SANMLTNESA-N 0 0 556.660 2.833 40 0 KFABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000222871486 571408104 /nfs/dbraw/zinc/40/81/04/571408104.db2.gz DZNKGZPPXDIWIS-CVDCTZTESA-N 0 0 519.639 2.769 40 0 KFABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000222871545 571408092 /nfs/dbraw/zinc/40/80/92/571408092.db2.gz DFOCZMFVYOWQAC-CYBMUJFWSA-N 0 0 509.382 2.979 40 0 KFABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000222871553 571408113 /nfs/dbraw/zinc/40/81/13/571408113.db2.gz DZNKGZPPXDIWIS-XXBNENTESA-N 0 0 519.639 2.769 40 0 KFABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000222871603 571408073 /nfs/dbraw/zinc/40/80/73/571408073.db2.gz DFOCZMFVYOWQAC-ZDUSSCGKSA-N 0 0 509.382 2.979 40 0 KFABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000222871615 571408100 /nfs/dbraw/zinc/40/81/00/571408100.db2.gz DZNKGZPPXDIWIS-WMZHIEFXSA-N 0 0 519.639 2.769 40 0 KFABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000222871687 571408114 /nfs/dbraw/zinc/40/81/14/571408114.db2.gz DZNKGZPPXDIWIS-AUSIDOKSSA-N 0 0 519.639 2.769 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000222874407 571408451 /nfs/dbraw/zinc/40/84/51/571408451.db2.gz IQCHQMOIUSIYSI-NRFANRHFSA-N 0 0 505.637 2.802 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000222874471 571408454 /nfs/dbraw/zinc/40/84/54/571408454.db2.gz IQCHQMOIUSIYSI-OAQYLSRUSA-N 0 0 505.637 2.802 40 0 KFABRN COCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222874664 571408474 /nfs/dbraw/zinc/40/84/74/571408474.db2.gz KHQCDVDPCNRGOK-HXUWFJFHSA-N 0 0 519.639 2.723 40 0 KFABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222874687 571408457 /nfs/dbraw/zinc/40/84/57/571408457.db2.gz DKOIPIIGWJRBRM-GVAUOCQISA-N 0 0 503.599 2.722 40 0 KFABRN COCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222874721 571408486 /nfs/dbraw/zinc/40/84/86/571408486.db2.gz KHQCDVDPCNRGOK-FQEVSTJZSA-N 0 0 519.639 2.723 40 0 KFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222874756 571408466 /nfs/dbraw/zinc/40/84/66/571408466.db2.gz DKOIPIIGWJRBRM-DSNGMDLFSA-N 0 0 503.599 2.722 40 0 KFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222876337 571408699 /nfs/dbraw/zinc/40/86/99/571408699.db2.gz KVDVJCPQIKBKCM-AREMUKBSSA-N 0 0 556.660 2.833 40 0 KFABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222876398 571408633 /nfs/dbraw/zinc/40/86/33/571408633.db2.gz KVDVJCPQIKBKCM-SANMLTNESA-N 0 0 556.660 2.833 40 0 KFABRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1 ZINC000222877772 571408930 /nfs/dbraw/zinc/40/89/30/571408930.db2.gz PBKPBGHPLCRBPU-KRWDZBQOSA-N 0 0 523.627 2.941 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222877860 571408847 /nfs/dbraw/zinc/40/88/47/571408847.db2.gz CJOBBQVTQXGXGG-DEOSSOPVSA-N 0 0 517.648 2.996 40 0 KFABRN COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000222877868 571408926 /nfs/dbraw/zinc/40/89/26/571408926.db2.gz MWBYXIAVNFXDOL-KRWDZBQOSA-N 0 0 523.627 2.941 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222877912 571408855 /nfs/dbraw/zinc/40/88/55/571408855.db2.gz CJOBBQVTQXGXGG-XMMPIXPASA-N 0 0 517.648 2.996 40 0 KFABRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC ZINC000222877963 571408906 /nfs/dbraw/zinc/40/89/06/571408906.db2.gz ODPKILSFLWXXEJ-KRWDZBQOSA-N 0 0 523.627 2.941 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222878435 571408890 /nfs/dbraw/zinc/40/88/90/571408890.db2.gz BGJQAVRHKCGQSF-NRFANRHFSA-N 0 0 519.620 2.522 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222878502 571408985 /nfs/dbraw/zinc/40/89/85/571408985.db2.gz BGJQAVRHKCGQSF-OAQYLSRUSA-N 0 0 519.620 2.522 40 0 KFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222878558 571409012 /nfs/dbraw/zinc/40/90/12/571409012.db2.gz KJDUBCAHEOPODQ-XMMPIXPASA-N 0 0 535.622 2.616 40 0 KFABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222878632 571409035 /nfs/dbraw/zinc/40/90/35/571409035.db2.gz KJDUBCAHEOPODQ-DEOSSOPVSA-N 0 0 535.622 2.616 40 0 KFABRN CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 ZINC000222878945 571408992 /nfs/dbraw/zinc/40/89/92/571408992.db2.gz AIQGELARRLPUQN-VWLOTQADSA-N 0 0 507.612 2.680 40 0 KFABRN CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 ZINC000222879003 571408980 /nfs/dbraw/zinc/40/89/80/571408980.db2.gz AIQGELARRLPUQN-RUZDIDTESA-N 0 0 507.612 2.680 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222879717 571409111 /nfs/dbraw/zinc/40/91/11/571409111.db2.gz FKHLUZMEXPMDJB-QHCPKHFHSA-N 0 0 504.653 2.640 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222879781 571409127 /nfs/dbraw/zinc/40/91/27/571409127.db2.gz FKHLUZMEXPMDJB-HSZRJFAPSA-N 0 0 504.653 2.640 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222880305 571409196 /nfs/dbraw/zinc/40/91/96/571409196.db2.gz UQVPQWKZXHDYEU-QFIPXVFZSA-N 0 0 533.647 2.564 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222880372 571409171 /nfs/dbraw/zinc/40/91/71/571409171.db2.gz UQVPQWKZXHDYEU-JOCHJYFZSA-N 0 0 533.647 2.564 40 0 KFABRN CN(C)S(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222881707 571409293 /nfs/dbraw/zinc/40/92/93/571409293.db2.gz HTSPFVWODOAVLE-VWLOTQADSA-N 0 0 507.612 2.980 40 0 KFABRN CN(C)S(=O)(=O)c1ccc(CCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222881756 571409278 /nfs/dbraw/zinc/40/92/78/571409278.db2.gz HTSPFVWODOAVLE-RUZDIDTESA-N 0 0 507.612 2.980 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000222883494 571409519 /nfs/dbraw/zinc/40/95/19/571409519.db2.gz SLYPNZMYWNDMKM-QFIPXVFZSA-N 0 0 533.647 2.912 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000222883557 571409477 /nfs/dbraw/zinc/40/94/77/571409477.db2.gz SLYPNZMYWNDMKM-JOCHJYFZSA-N 0 0 533.647 2.912 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000222883638 571409492 /nfs/dbraw/zinc/40/94/92/571409492.db2.gz DVGFXYALWGOHEU-QHCPKHFHSA-N 0 0 547.674 2.955 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000222883710 571409499 /nfs/dbraw/zinc/40/94/99/571409499.db2.gz DVGFXYALWGOHEU-HSZRJFAPSA-N 0 0 547.674 2.955 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222883971 571409533 /nfs/dbraw/zinc/40/95/33/571409533.db2.gz SRVKIKHTKCOADL-QHCPKHFHSA-N 0 0 522.643 2.779 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222884040 571409578 /nfs/dbraw/zinc/40/95/78/571409578.db2.gz SRVKIKHTKCOADL-HSZRJFAPSA-N 0 0 522.643 2.779 40 0 KFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222885680 571409667 /nfs/dbraw/zinc/40/96/67/571409667.db2.gz NITMORZKEIAAKL-INIZCTEOSA-N 0 0 507.584 2.652 40 0 KFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222885760 571409685 /nfs/dbraw/zinc/40/96/85/571409685.db2.gz NITMORZKEIAAKL-MRXNPFEDSA-N 0 0 507.584 2.652 40 0 KFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222886934 571409760 /nfs/dbraw/zinc/40/97/60/571409760.db2.gz NESSFASZGWBRNH-KRWDZBQOSA-N 0 0 521.611 2.695 40 0 KFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222886996 571409755 /nfs/dbraw/zinc/40/97/55/571409755.db2.gz NESSFASZGWBRNH-QGZVFWFLSA-N 0 0 521.611 2.695 40 0 KFABRN COCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222888323 571409857 /nfs/dbraw/zinc/40/98/57/571409857.db2.gz CLPITDQXLUUDKA-LJQANCHMSA-N 0 0 519.639 2.769 40 0 KFABRN COCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222888378 571409879 /nfs/dbraw/zinc/40/98/79/571409879.db2.gz CLPITDQXLUUDKA-IBGZPJMESA-N 0 0 519.639 2.769 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222889137 571409954 /nfs/dbraw/zinc/40/99/54/571409954.db2.gz PQOGZTFZQVLGAT-QFIPXVFZSA-N 0 0 522.643 2.779 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222889210 571409963 /nfs/dbraw/zinc/40/99/63/571409963.db2.gz PQOGZTFZQVLGAT-JOCHJYFZSA-N 0 0 522.643 2.779 40 0 KFABRN C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222890033 571410093 /nfs/dbraw/zinc/41/00/93/571410093.db2.gz QUHPUKUXRYGOES-CYFREDJKSA-N 0 0 531.650 2.912 40 0 KFABRN C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222890097 571410116 /nfs/dbraw/zinc/41/01/16/571410116.db2.gz QUHPUKUXRYGOES-DVECYGJZSA-N 0 0 531.650 2.912 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222890116 571410013 /nfs/dbraw/zinc/41/00/13/571410013.db2.gz FEZPZJYFYZIHFR-QFIPXVFZSA-N 0 0 515.632 2.952 40 0 KFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222890138 571410130 /nfs/dbraw/zinc/41/01/30/571410130.db2.gz ZXHIRVVVNBYSKX-KRWDZBQOSA-N 0 0 510.607 2.910 40 0 KFABRN C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222890160 571410081 /nfs/dbraw/zinc/41/00/81/571410081.db2.gz QUHPUKUXRYGOES-YADARESESA-N 0 0 531.650 2.912 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222890180 571410111 /nfs/dbraw/zinc/41/01/11/571410111.db2.gz FEZPZJYFYZIHFR-JOCHJYFZSA-N 0 0 515.632 2.952 40 0 KFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222890200 571410027 /nfs/dbraw/zinc/41/00/27/571410027.db2.gz ZXHIRVVVNBYSKX-QGZVFWFLSA-N 0 0 510.607 2.910 40 0 KFABRN C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222890233 571410120 /nfs/dbraw/zinc/41/01/20/571410120.db2.gz QUHPUKUXRYGOES-NTKDMRAZSA-N 0 0 531.650 2.912 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222891271 571410206 /nfs/dbraw/zinc/41/02/06/571410206.db2.gz KYDWWWNSDXVQGY-NRFANRHFSA-N 0 0 501.605 2.562 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222891332 571410176 /nfs/dbraw/zinc/41/01/76/571410176.db2.gz KYDWWWNSDXVQGY-OAQYLSRUSA-N 0 0 501.605 2.562 40 0 KFABRN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222892040 571410293 /nfs/dbraw/zinc/41/02/93/571410293.db2.gz UZJODKGTEBTFRN-MHZLTWQESA-N 0 0 549.649 2.751 40 0 KFABRN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222892107 571410241 /nfs/dbraw/zinc/41/02/41/571410241.db2.gz UZJODKGTEBTFRN-HHHXNRCGSA-N 0 0 549.649 2.751 40 0 KFABRN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222892191 571410330 /nfs/dbraw/zinc/41/03/30/571410330.db2.gz QQBGQJXQMMEMSH-NDEPHWFRSA-N 0 0 563.676 2.793 40 0 KFABRN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222892245 571410256 /nfs/dbraw/zinc/41/02/56/571410256.db2.gz QQBGQJXQMMEMSH-MUUNZHRXSA-N 0 0 563.676 2.793 40 0 KFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222894872 571410751 /nfs/dbraw/zinc/41/07/51/571410751.db2.gz BTASNWHUNGPSHN-KRWDZBQOSA-N 0 0 510.607 2.910 40 0 KFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222894929 571410691 /nfs/dbraw/zinc/41/06/91/571410691.db2.gz BTASNWHUNGPSHN-QGZVFWFLSA-N 0 0 510.607 2.910 40 0 KFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000222898455 571411093 /nfs/dbraw/zinc/41/10/93/571411093.db2.gz UWWRMOWNZHQXKW-HXUWFJFHSA-N 0 0 555.628 2.998 40 0 KFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000222898512 571411181 /nfs/dbraw/zinc/41/11/81/571411181.db2.gz UWWRMOWNZHQXKW-FQEVSTJZSA-N 0 0 555.628 2.998 40 0 KFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000222898600 571411234 /nfs/dbraw/zinc/41/12/34/571411234.db2.gz LOCGHQUCBKJRBT-QGZVFWFLSA-N 0 0 510.454 2.729 40 0 KFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000222898663 571411220 /nfs/dbraw/zinc/41/12/20/571411220.db2.gz LOCGHQUCBKJRBT-KRWDZBQOSA-N 0 0 510.454 2.729 40 0 KFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000222901227 571411437 /nfs/dbraw/zinc/41/14/37/571411437.db2.gz HJBOPVLLWMMCBL-OAQYLSRUSA-N 0 0 537.638 2.859 40 0 KFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000222901278 571411420 /nfs/dbraw/zinc/41/14/20/571411420.db2.gz HJBOPVLLWMMCBL-NRFANRHFSA-N 0 0 537.638 2.859 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000222904668 571411561 /nfs/dbraw/zinc/41/15/61/571411561.db2.gz ZPOKVIATERSKOD-MRXNPFEDSA-N 0 0 512.028 2.677 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000222904731 571411570 /nfs/dbraw/zinc/41/15/70/571411570.db2.gz ZPOKVIATERSKOD-INIZCTEOSA-N 0 0 512.028 2.677 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000222904810 571411625 /nfs/dbraw/zinc/41/16/25/571411625.db2.gz VHELVJZVAVRBIA-MRXNPFEDSA-N 0 0 512.028 2.677 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000222904873 571411608 /nfs/dbraw/zinc/41/16/08/571411608.db2.gz VHELVJZVAVRBIA-INIZCTEOSA-N 0 0 512.028 2.677 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000222904972 571411576 /nfs/dbraw/zinc/41/15/76/571411576.db2.gz KEWUSTJIIXSIRY-MRXNPFEDSA-N 0 0 512.028 2.677 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000222905033 571411610 /nfs/dbraw/zinc/41/16/10/571411610.db2.gz KEWUSTJIIXSIRY-INIZCTEOSA-N 0 0 512.028 2.677 40 0 KFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)c1 ZINC000222909079 571411981 /nfs/dbraw/zinc/41/19/81/571411981.db2.gz BNNAWNLWTQKQFL-UHFFFAOYSA-N 0 0 503.602 2.643 40 0 KFABRN COc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1S(=O)(=O)NCc1ccccc1 ZINC000222909161 571411960 /nfs/dbraw/zinc/41/19/60/571411960.db2.gz ZMICQCJLAYWMET-UHFFFAOYSA-N 0 0 517.629 2.985 40 0 KFABRN COc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1S(=O)(=O)N(C)C ZINC000222910602 571412150 /nfs/dbraw/zinc/41/21/50/571412150.db2.gz KYEOYSWSFOQLTL-QHCPKHFHSA-N 0 0 509.584 2.670 40 0 KFABRN COc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1S(=O)(=O)N(C)C ZINC000222910662 571412165 /nfs/dbraw/zinc/41/21/65/571412165.db2.gz KYEOYSWSFOQLTL-HSZRJFAPSA-N 0 0 509.584 2.670 40 0 KFABRN COc1ccc(C(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1S(=O)(=O)N(C)C ZINC000222910750 571412125 /nfs/dbraw/zinc/41/21/25/571412125.db2.gz LOQCZOLFCJALRH-DEOSSOPVSA-N 0 0 523.611 2.712 40 0 KFABRN COc1ccc(C(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1S(=O)(=O)N(C)C ZINC000222910811 571412159 /nfs/dbraw/zinc/41/21/59/571412159.db2.gz LOQCZOLFCJALRH-XMMPIXPASA-N 0 0 523.611 2.712 40 0 KFABRN CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)ccc1OC ZINC000222913586 571412462 /nfs/dbraw/zinc/41/24/62/571412462.db2.gz UYEZKENJHKVXCN-QHCPKHFHSA-N 0 0 509.584 2.718 40 0 KFABRN CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)ccc1OC ZINC000222913654 571412477 /nfs/dbraw/zinc/41/24/77/571412477.db2.gz UYEZKENJHKVXCN-HSZRJFAPSA-N 0 0 509.584 2.718 40 0 KFABRN CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)ccc1OC ZINC000222913739 571412438 /nfs/dbraw/zinc/41/24/38/571412438.db2.gz NUQCQJAPHAXEJC-DEOSSOPVSA-N 0 0 523.611 2.760 40 0 KFABRN CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)ccc1OC ZINC000222913798 571412453 /nfs/dbraw/zinc/41/24/53/571412453.db2.gz NUQCQJAPHAXEJC-XMMPIXPASA-N 0 0 523.611 2.760 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000222916668 571412799 /nfs/dbraw/zinc/41/27/99/571412799.db2.gz NOQKWNXMGZXKRU-QFIPXVFZSA-N 0 0 519.664 2.844 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000222916725 571412772 /nfs/dbraw/zinc/41/27/72/571412772.db2.gz NOQKWNXMGZXKRU-JOCHJYFZSA-N 0 0 519.664 2.844 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000222916819 571412882 /nfs/dbraw/zinc/41/28/82/571412882.db2.gz HWCOXGUSUXOGNR-QFIPXVFZSA-N 0 0 519.664 2.844 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000222916884 571412889 /nfs/dbraw/zinc/41/28/89/571412889.db2.gz HWCOXGUSUXOGNR-JOCHJYFZSA-N 0 0 519.664 2.844 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000222916967 571412845 /nfs/dbraw/zinc/41/28/45/571412845.db2.gz VTBUESFNKKVQNP-QFIPXVFZSA-N 0 0 519.664 2.844 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000222917366 571412837 /nfs/dbraw/zinc/41/28/37/571412837.db2.gz VTBUESFNKKVQNP-JOCHJYFZSA-N 0 0 519.664 2.844 40 0 KFABRN COc1ccc(C(=O)NCCNc2ccnc3cc(Cl)ccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000222920225 571413223 /nfs/dbraw/zinc/41/32/23/571413223.db2.gz YIGRAZWSWBSEFE-UHFFFAOYSA-N 0 0 504.996 2.760 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000222920703 571413180 /nfs/dbraw/zinc/41/31/80/571413180.db2.gz LJNSUXGJZOKPGY-MRXNPFEDSA-N 0 0 510.012 2.778 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000222920767 571413170 /nfs/dbraw/zinc/41/31/70/571413170.db2.gz LJNSUXGJZOKPGY-INIZCTEOSA-N 0 0 510.012 2.778 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000222920873 571413187 /nfs/dbraw/zinc/41/31/87/571413187.db2.gz ZKGQMNKNBKDMFN-QGZVFWFLSA-N 0 0 524.039 2.821 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000222920942 571413167 /nfs/dbraw/zinc/41/31/67/571413167.db2.gz ZKGQMNKNBKDMFN-KRWDZBQOSA-N 0 0 524.039 2.821 40 0 KFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222927095 571413861 /nfs/dbraw/zinc/41/38/61/571413861.db2.gz GORDZZHDXSNZGW-NRFANRHFSA-N 0 0 503.621 2.556 40 0 KFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222927145 571413847 /nfs/dbraw/zinc/41/38/47/571413847.db2.gz GORDZZHDXSNZGW-OAQYLSRUSA-N 0 0 503.621 2.556 40 0 KFABRN 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CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223051041 571426093 /nfs/dbraw/zinc/42/60/93/571426093.db2.gz AHDOAFLVYONHDU-MRXNPFEDSA-N 0 0 526.453 2.777 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223051098 571426110 /nfs/dbraw/zinc/42/61/10/571426110.db2.gz AHDOAFLVYONHDU-INIZCTEOSA-N 0 0 526.453 2.777 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223051487 571426128 /nfs/dbraw/zinc/42/61/28/571426128.db2.gz FEEAOEWLOXYPBE-MRXNPFEDSA-N 0 0 556.479 2.786 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223051535 571426079 /nfs/dbraw/zinc/42/60/79/571426079.db2.gz FEEAOEWLOXYPBE-INIZCTEOSA-N 0 0 556.479 2.786 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223051640 571426136 /nfs/dbraw/zinc/42/61/36/571426136.db2.gz FPKIQWYVPUKZBZ-MRXNPFEDSA-N 0 0 556.479 2.786 40 0 KFABRN COc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223051642 571426132 /nfs/dbraw/zinc/42/61/32/571426132.db2.gz BHDOVKMQGMXDOB-SFHVURJKSA-N 0 0 522.643 2.779 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223051696 571426085 /nfs/dbraw/zinc/42/60/85/571426085.db2.gz FPKIQWYVPUKZBZ-INIZCTEOSA-N 0 0 556.479 2.786 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223051785 571426241 /nfs/dbraw/zinc/42/62/41/571426241.db2.gz SGORVSSLXCTIIY-MRXNPFEDSA-N 0 0 556.479 2.786 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223051846 571426230 /nfs/dbraw/zinc/42/62/30/571426230.db2.gz SGORVSSLXCTIIY-INIZCTEOSA-N 0 0 556.479 2.786 40 0 KFABRN CC[C@@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223052056 571426225 /nfs/dbraw/zinc/42/62/25/571426225.db2.gz RBOLMWOXYXUAIM-NSHDSACASA-N 0 0 509.031 2.649 40 0 KFABRN CC[C@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223052119 571426228 /nfs/dbraw/zinc/42/62/28/571426228.db2.gz RBOLMWOXYXUAIM-LLVKDONJSA-N 0 0 509.031 2.649 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223052233 571426229 /nfs/dbraw/zinc/42/62/29/571426229.db2.gz MKVGPLZZHUMUOB-OAHLLOKOSA-N 0 0 514.417 2.908 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223052285 571426215 /nfs/dbraw/zinc/42/62/15/571426215.db2.gz MKVGPLZZHUMUOB-HNNXBMFYSA-N 0 0 514.417 2.908 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223052372 571426211 /nfs/dbraw/zinc/42/62/11/571426211.db2.gz YUEHDFNXTUHOKH-OAHLLOKOSA-N 0 0 514.417 2.908 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223052428 571426223 /nfs/dbraw/zinc/42/62/23/571426223.db2.gz YUEHDFNXTUHOKH-HNNXBMFYSA-N 0 0 514.417 2.908 40 0 KFABRN COc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223052590 571426240 /nfs/dbraw/zinc/42/62/40/571426240.db2.gz SXIZDTKPQZNCGR-SFHVURJKSA-N 0 0 515.632 2.952 40 0 KFABRN COc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223052643 571426205 /nfs/dbraw/zinc/42/62/05/571426205.db2.gz SXIZDTKPQZNCGR-GOSISDBHSA-N 0 0 515.632 2.952 40 0 KFABRN COc1cccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223053503 571426321 /nfs/dbraw/zinc/42/63/21/571426321.db2.gz MNBBNJIHOUPYML-KRWDZBQOSA-N 0 0 501.605 2.562 40 0 KFABRN COc1cccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223053568 571426324 /nfs/dbraw/zinc/42/63/24/571426324.db2.gz MNBBNJIHOUPYML-QGZVFWFLSA-N 0 0 501.605 2.562 40 0 KFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223055005 571426542 /nfs/dbraw/zinc/42/65/42/571426542.db2.gz PHKLEUOAEUULGY-QFIPXVFZSA-N 0 0 517.648 2.866 40 0 KFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223055074 571426528 /nfs/dbraw/zinc/42/65/28/571426528.db2.gz PHKLEUOAEUULGY-JOCHJYFZSA-N 0 0 517.648 2.866 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223058667 571426858 /nfs/dbraw/zinc/42/68/58/571426858.db2.gz BVUCJNJASLVKFL-MRXNPFEDSA-N 0 0 526.453 2.777 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223058732 571426808 /nfs/dbraw/zinc/42/68/08/571426808.db2.gz BVUCJNJASLVKFL-INIZCTEOSA-N 0 0 526.453 2.777 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223059464 571426958 /nfs/dbraw/zinc/42/69/58/571426958.db2.gz UXBCECGMCOFJIB-OAHLLOKOSA-N 0 0 514.417 2.908 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223059516 571426893 /nfs/dbraw/zinc/42/68/93/571426893.db2.gz UXBCECGMCOFJIB-HNNXBMFYSA-N 0 0 514.417 2.908 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223061366 571426982 /nfs/dbraw/zinc/42/69/82/571426982.db2.gz GTLDIBPTYOYTQH-MRXNPFEDSA-N 0 0 538.464 2.971 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223061428 571427019 /nfs/dbraw/zinc/42/70/19/571427019.db2.gz GTLDIBPTYOYTQH-INIZCTEOSA-N 0 0 538.464 2.971 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223063403 571427122 /nfs/dbraw/zinc/42/71/22/571427122.db2.gz MNRANHQMHMXOCZ-QGZVFWFLSA-N 0 0 525.469 2.615 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223063474 571427065 /nfs/dbraw/zinc/42/70/65/571427065.db2.gz MNRANHQMHMXOCZ-KRWDZBQOSA-N 0 0 525.469 2.615 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223063713 571427173 /nfs/dbraw/zinc/42/71/73/571427173.db2.gz BRSKHDDGFMJLFU-MRXNPFEDSA-N 0 0 554.463 2.540 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223063784 571427215 /nfs/dbraw/zinc/42/72/15/571427215.db2.gz BRSKHDDGFMJLFU-INIZCTEOSA-N 0 0 554.463 2.540 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223066991 571427498 /nfs/dbraw/zinc/42/74/98/571427498.db2.gz KNWMKCYAPAFOQH-MRXNPFEDSA-N 0 0 554.463 2.887 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223067055 571427472 /nfs/dbraw/zinc/42/74/72/571427472.db2.gz KNWMKCYAPAFOQH-INIZCTEOSA-N 0 0 554.463 2.887 40 0 KFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223067138 571427559 /nfs/dbraw/zinc/42/75/59/571427559.db2.gz ZPCNVZVEVWLCFB-QGZVFWFLSA-N 0 0 568.490 2.930 40 0 KFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223067212 571427571 /nfs/dbraw/zinc/42/75/71/571427571.db2.gz ZPCNVZVEVWLCFB-KRWDZBQOSA-N 0 0 568.490 2.930 40 0 KFABRN 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C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223115459 571433097 /nfs/dbraw/zinc/43/30/97/571433097.db2.gz TXQJYKVSLVOZOJ-GOSISDBHSA-N 0 0 503.621 2.556 40 0 KFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223115512 571433066 /nfs/dbraw/zinc/43/30/66/571433066.db2.gz BQUJYOKPHWHVMK-QZTJIDSGSA-N 0 0 521.611 2.695 40 0 KFABRN COC(=O)CSc1nnc(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)s1 ZINC000223115547 571433089 /nfs/dbraw/zinc/43/30/89/571433089.db2.gz WFRFTPFHSUMZSI-UHFFFAOYSA-N 0 0 538.629 2.654 40 0 KFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223115577 571433050 /nfs/dbraw/zinc/43/30/50/571433050.db2.gz BQUJYOKPHWHVMK-ZWKOTPCHSA-N 0 0 521.611 2.695 40 0 KFABRN CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1)S(C)(=O)=O ZINC000223116445 571433281 /nfs/dbraw/zinc/43/32/81/571433281.db2.gz ULPFGLIHFMJVLY-DEOSSOPVSA-N 0 0 529.062 2.883 40 0 KFABRN CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)S(C)(=O)=O ZINC000223116534 571433291 /nfs/dbraw/zinc/43/32/91/571433291.db2.gz MIBLKRPMQBNEGD-DEOSSOPVSA-N 0 0 529.062 2.883 40 0 KFABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223116600 571433214 /nfs/dbraw/zinc/43/32/14/571433214.db2.gz XYWJXALYVQWYFS-IBGZPJMESA-N 0 0 517.648 2.598 40 0 KFABRN CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1)S(C)(=O)=O ZINC000223116630 571433203 /nfs/dbraw/zinc/43/32/03/571433203.db2.gz CZEBRULOAYHAHM-DEOSSOPVSA-N 0 0 529.062 2.883 40 0 KFABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223116670 571433242 /nfs/dbraw/zinc/43/32/42/571433242.db2.gz XYWJXALYVQWYFS-LJQANCHMSA-N 0 0 517.648 2.598 40 0 KFABRN CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223116805 571433228 /nfs/dbraw/zinc/43/32/28/571433228.db2.gz FLQYQZCRAACKGA-HSZRJFAPSA-N 0 0 524.083 2.714 40 0 KFABRN CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223116853 571433201 /nfs/dbraw/zinc/43/32/01/571433201.db2.gz FLQYQZCRAACKGA-QHCPKHFHSA-N 0 0 524.083 2.714 40 0 KFABRN COC(=O)CSc1nnc(NC(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)s1 ZINC000223117592 571433308 /nfs/dbraw/zinc/43/33/08/571433308.db2.gz ANGKKFIUCGZFDW-UHFFFAOYSA-N 0 0 509.031 2.650 40 0 KFABRN CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000223119523 571433521 /nfs/dbraw/zinc/43/35/21/571433521.db2.gz PLDVDUWPZVRSKQ-IBGZPJMESA-N 0 0 517.648 2.946 40 0 KFABRN CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000223119631 571433512 /nfs/dbraw/zinc/43/35/12/571433512.db2.gz OBSQVIMRDJMSRK-FQEVSTJZSA-N 0 0 531.675 2.988 40 0 KFABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223119807 571433569 /nfs/dbraw/zinc/43/35/69/571433569.db2.gz VMNGVCAQNBQIPY-IBGZPJMESA-N 0 0 506.644 2.813 40 0 KFABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223119866 571433643 /nfs/dbraw/zinc/43/36/43/571433643.db2.gz VMNGVCAQNBQIPY-LJQANCHMSA-N 0 0 506.644 2.813 40 0 KFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223120218 571433674 /nfs/dbraw/zinc/43/36/74/571433674.db2.gz NOJYKIGKQVJLDY-QZTJIDSGSA-N 0 0 510.607 2.910 40 0 KFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223120283 571433642 /nfs/dbraw/zinc/43/36/42/571433642.db2.gz NOJYKIGKQVJLDY-ZWKOTPCHSA-N 0 0 510.607 2.910 40 0 KFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223122698 571433750 /nfs/dbraw/zinc/43/37/50/571433750.db2.gz KCXRQQHHZMNYPV-IBGZPJMESA-N 0 0 512.028 2.677 40 0 KFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223122758 571433908 /nfs/dbraw/zinc/43/39/08/571433908.db2.gz KCXRQQHHZMNYPV-LJQANCHMSA-N 0 0 512.028 2.677 40 0 KFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223122847 571433861 /nfs/dbraw/zinc/43/38/61/571433861.db2.gz VQTUNRLPFCLKBS-IBGZPJMESA-N 0 0 512.028 2.677 40 0 KFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223122901 571433886 /nfs/dbraw/zinc/43/38/86/571433886.db2.gz VQTUNRLPFCLKBS-LJQANCHMSA-N 0 0 512.028 2.677 40 0 KFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223122988 571433854 /nfs/dbraw/zinc/43/38/54/571433854.db2.gz UEMRKIYMEJSHGZ-IBGZPJMESA-N 0 0 512.028 2.677 40 0 KFABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1OC ZINC000223123006 571433859 /nfs/dbraw/zinc/43/38/59/571433859.db2.gz NOFXHSUOSPCNDX-UHFFFAOYSA-N 0 0 511.600 2.936 40 0 KFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223123035 571433879 /nfs/dbraw/zinc/43/38/79/571433879.db2.gz UEMRKIYMEJSHGZ-LJQANCHMSA-N 0 0 512.028 2.677 40 0 KFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223123196 571433917 /nfs/dbraw/zinc/43/39/17/571433917.db2.gz JUHQZELQBJFMLK-LJQANCHMSA-N 0 0 503.621 2.823 40 0 KFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223123255 571433919 /nfs/dbraw/zinc/43/39/19/571433919.db2.gz JUHQZELQBJFMLK-IBGZPJMESA-N 0 0 503.621 2.823 40 0 KFABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223123690 571433912 /nfs/dbraw/zinc/43/39/12/571433912.db2.gz LMDYLKFIZBRIFB-XMMPIXPASA-N 0 0 519.623 2.997 40 0 KFABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223123742 571434004 /nfs/dbraw/zinc/43/40/04/571434004.db2.gz LMDYLKFIZBRIFB-DEOSSOPVSA-N 0 0 519.623 2.997 40 0 KFABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223124248 571433971 /nfs/dbraw/zinc/43/39/71/571433971.db2.gz GSRPBOILMUALML-IBGZPJMESA-N 0 0 506.644 2.813 40 0 KFABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223124315 571433955 /nfs/dbraw/zinc/43/39/55/571433955.db2.gz GSRPBOILMUALML-LJQANCHMSA-N 0 0 506.644 2.813 40 0 KFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223125238 571434073 /nfs/dbraw/zinc/43/40/73/571434073.db2.gz RKKILODSBVEDFP-HXUWFJFHSA-N 0 0 517.648 2.866 40 0 KFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223125300 571434102 /nfs/dbraw/zinc/43/41/02/571434102.db2.gz RKKILODSBVEDFP-FQEVSTJZSA-N 0 0 517.648 2.866 40 0 KFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223127943 571434311 /nfs/dbraw/zinc/43/43/11/571434311.db2.gz MXAPVAWGUORWEV-QZTJIDSGSA-N 0 0 510.607 2.910 40 0 KFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223127993 571434346 /nfs/dbraw/zinc/43/43/46/571434346.db2.gz MXAPVAWGUORWEV-ZWKOTPCHSA-N 0 0 510.607 2.910 40 0 KFABRN Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1I ZINC000223128027 571434356 /nfs/dbraw/zinc/43/43/56/571434356.db2.gz KUXIWIIDPORNNN-RTBURBONSA-N 0 0 511.433 2.936 40 0 KFABRN Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1I ZINC000223128075 571434352 /nfs/dbraw/zinc/43/43/52/571434352.db2.gz KUXIWIIDPORNNN-MOPGFXCFSA-N 0 0 511.433 2.936 40 0 KFABRN Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1I ZINC000223128126 571434455 /nfs/dbraw/zinc/43/44/55/571434455.db2.gz KUXIWIIDPORNNN-RBUKOAKNSA-N 0 0 511.433 2.936 40 0 KFABRN Cc1[nH]c(C)c([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1I ZINC000223128191 571434459 /nfs/dbraw/zinc/43/44/59/571434459.db2.gz KUXIWIIDPORNNN-OALUTQOASA-N 0 0 511.433 2.936 40 0 KFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223136886 571435015 /nfs/dbraw/zinc/43/50/15/571435015.db2.gz LDXJINLDKASDFK-IBGZPJMESA-N 0 0 510.012 2.778 40 0 KFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223136952 571434988 /nfs/dbraw/zinc/43/49/88/571434988.db2.gz LDXJINLDKASDFK-LJQANCHMSA-N 0 0 510.012 2.778 40 0 KFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223137021 571435006 /nfs/dbraw/zinc/43/50/06/571435006.db2.gz ZQCBUIMQQGGQRJ-FQEVSTJZSA-N 0 0 524.039 2.821 40 0 KFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223137074 571434984 /nfs/dbraw/zinc/43/49/84/571434984.db2.gz ZQCBUIMQQGGQRJ-HXUWFJFHSA-N 0 0 524.039 2.821 40 0 KFABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)s1 ZINC000223139090 571435303 /nfs/dbraw/zinc/43/53/03/571435303.db2.gz BIDMHEJMERYVJB-UHFFFAOYSA-N 0 0 508.603 2.646 40 0 KFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000223144861 571436066 /nfs/dbraw/zinc/43/60/66/571436066.db2.gz PDMFAAYXIOIMLQ-UHFFFAOYSA-N 0 0 509.650 2.691 40 0 KFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223148960 571436644 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C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223818573 571554948 /nfs/dbraw/zinc/55/49/48/571554948.db2.gz LFNMBJMIHFKEMA-INIZCTEOSA-N 0 0 504.008 2.961 40 0 KFABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223818595 571554932 /nfs/dbraw/zinc/55/49/32/571554932.db2.gz LFNMBJMIHFKEMA-MRXNPFEDSA-N 0 0 504.008 2.961 40 0 KFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223823742 571556694 /nfs/dbraw/zinc/55/66/94/571556694.db2.gz TZUFUFHDAZSRNH-MRXNPFEDSA-N 0 0 510.012 2.778 40 0 KFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223823791 571556696 /nfs/dbraw/zinc/55/66/96/571556696.db2.gz TZUFUFHDAZSRNH-INIZCTEOSA-N 0 0 510.012 2.778 40 0 KFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223825414 571557054 /nfs/dbraw/zinc/55/70/54/571557054.db2.gz SEPKQPZWXKGSKP-QGZVFWFLSA-N 0 0 524.039 2.821 40 0 KFABRN 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ZINC000408549728 572232469 /nfs/dbraw/zinc/23/24/69/572232469.db2.gz XTUHXELPUFBIJV-CAOOACKPSA-N 0 0 532.347 2.849 40 0 KFABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408549734 572232366 /nfs/dbraw/zinc/23/23/66/572232366.db2.gz XWXLLECJKJIPQC-LICLKQGHSA-N 0 0 579.347 2.773 40 0 KFABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)C1=O ZINC000408549822 572232455 /nfs/dbraw/zinc/23/24/55/572232455.db2.gz ZSSCNSYKOWBXFW-CXUHLZMHSA-N 0 0 506.284 2.671 40 0 KFABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(I)cc3)c(OC)c2)C1=O ZINC000408549828 572232487 /nfs/dbraw/zinc/23/24/87/572232487.db2.gz ZVWAEVCMNXVXPT-CXUHLZMHSA-N 0 0 522.295 2.945 40 0 KFABRN COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1I ZINC000408549935 572232699 /nfs/dbraw/zinc/23/26/99/572232699.db2.gz BVTIQHNYOBODFK-OQLLNIDSSA-N 0 0 530.340 2.502 40 0 KFABRN CCOC(=O)N1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)CC1 ZINC000408550002 572232771 /nfs/dbraw/zinc/23/27/71/572232771.db2.gz AMOLMCXVODPCEI-UHFFFAOYSA-N 0 0 503.621 2.538 40 0 KFABRN CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1I ZINC000408550742 572234765 /nfs/dbraw/zinc/23/47/65/572234765.db2.gz JKGKXPNELULVQL-MHWRWJLKSA-N 0 0 544.367 2.892 40 0 KFABRN NS(=O)(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000408550919 572234975 /nfs/dbraw/zinc/23/49/75/572234975.db2.gz GHFARBZRABWLOD-UHFFFAOYSA-N 0 0 540.417 2.915 40 0 KFABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1Cl ZINC000408554481 572241943 /nfs/dbraw/zinc/24/19/43/572241943.db2.gz SGLJFXBHEHGIJN-UHFFFAOYSA-N 0 0 525.992 2.814 40 0 KFABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408556295 572243738 /nfs/dbraw/zinc/24/37/38/572243738.db2.gz IRKMIUMPRMNKGO-UHFFFAOYSA-N 0 0 536.050 2.967 40 0 KFABRN CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000408557264 572244620 /nfs/dbraw/zinc/24/46/20/572244620.db2.gz GDGFXNJXRPIOHY-UHFFFAOYSA-N 0 0 526.409 2.929 40 0 KFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000408558552 572245899 /nfs/dbraw/zinc/24/58/99/572245899.db2.gz JRDMEJCPUSNVME-NRFANRHFSA-N 0 0 515.632 2.559 40 0 KFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000408558553 572245861 /nfs/dbraw/zinc/24/58/61/572245861.db2.gz JRDMEJCPUSNVME-OAQYLSRUSA-N 0 0 515.632 2.559 40 0 KFABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408559012 572246404 /nfs/dbraw/zinc/24/64/04/572246404.db2.gz UAOWZEFYHJLXEP-UHFFFAOYSA-N 0 0 535.622 2.890 40 0 KFABRN CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2)CC1 ZINC000408559922 572247160 /nfs/dbraw/zinc/24/71/60/572247160.db2.gz NMHSQYMNWHCYER-UHFFFAOYSA-N 0 0 511.984 2.829 40 0 KFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000408560468 572247431 /nfs/dbraw/zinc/24/74/31/572247431.db2.gz PBRMCWFJJDYVSF-UHFFFAOYSA-N 0 0 515.632 2.559 40 0 KFABRN NS(=O)(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)cc1 ZINC000408561341 572248191 /nfs/dbraw/zinc/24/81/91/572248191.db2.gz HZKSOEYOXNPXEE-UHFFFAOYSA-N 0 0 513.956 2.945 40 0 KFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1C ZINC000408561423 572248207 /nfs/dbraw/zinc/24/82/07/572248207.db2.gz SHYKTGOOXQGHSH-UHFFFAOYSA-N 0 0 529.659 2.868 40 0 KFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1C ZINC000408562429 572248874 /nfs/dbraw/zinc/24/88/74/572248874.db2.gz ZXTSMYYHWXBHME-JOCHJYFZSA-N 0 0 529.659 2.868 40 0 KFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1C ZINC000408562430 572248828 /nfs/dbraw/zinc/24/88/28/572248828.db2.gz ZXTSMYYHWXBHME-QFIPXVFZSA-N 0 0 529.659 2.868 40 0 KFABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1 ZINC000408573007 572258503 /nfs/dbraw/zinc/25/85/03/572258503.db2.gz BCNIVYOTTZSKFZ-FQEVSTJZSA-N 0 0 529.037 2.857 40 0 KFABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1 ZINC000408573013 572258485 /nfs/dbraw/zinc/25/84/85/572258485.db2.gz BCNIVYOTTZSKFZ-HXUWFJFHSA-N 0 0 529.037 2.857 40 0 KFABRN O=C(COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408574163 572259310 /nfs/dbraw/zinc/25/93/10/572259310.db2.gz CRAPJVJEHZVBKW-IBGZPJMESA-N 0 0 559.461 2.658 40 0 KFABRN O=C(COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408574164 572259316 /nfs/dbraw/zinc/25/93/16/572259316.db2.gz CRAPJVJEHZVBKW-LJQANCHMSA-N 0 0 559.461 2.658 40 0 KFABRN O=C(COc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408574180 572259394 /nfs/dbraw/zinc/25/93/94/572259394.db2.gz CTQCPGHQMOIHFY-GOSISDBHSA-N 0 0 534.535 2.524 40 0 KFABRN O=C(COc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408574181 572259434 /nfs/dbraw/zinc/25/94/34/572259434.db2.gz CTQCPGHQMOIHFY-SFHVURJKSA-N 0 0 534.535 2.524 40 0 KFABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@H](C)O)CC2=O)cc1 ZINC000408574202 572259386 /nfs/dbraw/zinc/25/93/86/572259386.db2.gz CVADPVYJRRWXGC-DLBZAZTESA-N 0 0 518.408 2.933 40 0 KFABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 ZINC000408574208 572259400 /nfs/dbraw/zinc/25/94/00/572259400.db2.gz CVADPVYJRRWXGC-IAGOWNOFSA-N 0 0 518.408 2.933 40 0 KFABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H](C)O)CC2=O)cc1 ZINC000408574210 572259407 /nfs/dbraw/zinc/25/94/07/572259407.db2.gz CVADPVYJRRWXGC-IRXDYDNUSA-N 0 0 518.408 2.933 40 0 KFABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 ZINC000408574213 572259402 /nfs/dbraw/zinc/25/94/02/572259402.db2.gz CVADPVYJRRWXGC-SJORKVTESA-N 0 0 518.408 2.933 40 0 KFABRN Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)c1C ZINC000408574955 572260109 /nfs/dbraw/zinc/26/01/09/572260109.db2.gz DTDQTQCJICEBTE-JOCHJYFZSA-N 0 0 508.619 2.512 40 0 KFABRN Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)c1C ZINC000408574964 572260105 /nfs/dbraw/zinc/26/01/05/572260105.db2.gz DTDQTQCJICEBTE-QFIPXVFZSA-N 0 0 508.619 2.512 40 0 KFABRN COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)C1 ZINC000408575662 572260691 /nfs/dbraw/zinc/26/06/91/572260691.db2.gz FGGBDVXREVZHST-INIZCTEOSA-N 0 0 504.381 2.972 40 0 KFABRN COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)C1 ZINC000408575666 572260648 /nfs/dbraw/zinc/26/06/48/572260648.db2.gz FGGBDVXREVZHST-MRXNPFEDSA-N 0 0 504.381 2.972 40 0 KFABRN Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 ZINC000408575757 572260646 /nfs/dbraw/zinc/26/06/46/572260646.db2.gz FSKMMSIRHRRJJO-CVEARBPZSA-N 0 0 504.381 2.625 40 0 KFABRN Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H](C)O)CC2=O)cc1 ZINC000408575758 572260721 /nfs/dbraw/zinc/26/07/21/572260721.db2.gz FSKMMSIRHRRJJO-HOTGVXAUSA-N 0 0 504.381 2.625 40 0 KFABRN Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 ZINC000408575760 572260682 /nfs/dbraw/zinc/26/06/82/572260682.db2.gz FSKMMSIRHRRJJO-HZPDHXFCSA-N 0 0 504.381 2.625 40 0 KFABRN Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@H](C)O)CC2=O)cc1 ZINC000408575762 572260668 /nfs/dbraw/zinc/26/06/68/572260668.db2.gz FSKMMSIRHRRJJO-JKSUJKDBSA-N 0 0 504.381 2.625 40 0 KFABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1 ZINC000408576438 572261209 /nfs/dbraw/zinc/26/12/09/572261209.db2.gz HDJZJIWABOLKCY-FQEVSTJZSA-N 0 0 529.037 2.857 40 0 KFABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1 ZINC000408576440 572261273 /nfs/dbraw/zinc/26/12/73/572261273.db2.gz HDJZJIWABOLKCY-HXUWFJFHSA-N 0 0 529.037 2.857 40 0 KFABRN CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)CC2=O)cc1 ZINC000408576930 572261559 /nfs/dbraw/zinc/26/15/59/572261559.db2.gz HJQIOZFWGPHGAO-NRFANRHFSA-N 0 0 508.619 2.919 40 0 KFABRN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)CC2=O)cc1 ZINC000408576933 572261577 /nfs/dbraw/zinc/26/15/77/572261577.db2.gz HJQIOZFWGPHGAO-OAQYLSRUSA-N 0 0 508.619 2.919 40 0 KFABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cc1 ZINC000408577040 572261663 /nfs/dbraw/zinc/26/16/63/572261663.db2.gz ICPUAOYFKXLVRZ-FQEVSTJZSA-N 0 0 573.488 2.885 40 0 KFABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cc1 ZINC000408577044 572261702 /nfs/dbraw/zinc/26/17/02/572261702.db2.gz ICPUAOYFKXLVRZ-HXUWFJFHSA-N 0 0 573.488 2.885 40 0 KFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)cc1Cl ZINC000408577115 572261788 /nfs/dbraw/zinc/26/17/88/572261788.db2.gz IFPQHLAUOCXKLR-FQEVSTJZSA-N 0 0 529.037 2.857 40 0 KFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)cc1Cl ZINC000408577117 572261778 /nfs/dbraw/zinc/26/17/78/572261778.db2.gz IFPQHLAUOCXKLR-HXUWFJFHSA-N 0 0 529.037 2.857 40 0 KFABRN 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1059019182 /nfs/dbraw/zinc/01/91/82/1059019182.db2.gz UTVSFJVXVDEBBR-QFVBLGFASA-N 0 0 536.606 2.992 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3O)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408915166 1059582086 /nfs/dbraw/zinc/58/20/86/1059582086.db2.gz YKIGKJDEEYHULW-FNUHDPNESA-N 0 0 510.568 2.617 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3O)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408915169 1059582134 /nfs/dbraw/zinc/58/21/34/1059582134.db2.gz YKIGKJDEEYHULW-PZDOZLBDSA-N 0 0 510.568 2.617 40 0 KFABRN CCOC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc1OC ZINC000408916521 1059019138 /nfs/dbraw/zinc/01/91/38/1059019138.db2.gz DULZUKVWIIMAFO-VIZOYTHASA-N 0 0 502.339 2.999 40 0 KFABRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(OCC)c(OCC(=O)OC)cc2Br)C1=O ZINC000408917787 1059019117 /nfs/dbraw/zinc/01/91/17/1059019117.db2.gz BDBUJNIRUQIYAV-VIZOYTHASA-N 0 0 502.339 2.999 40 0 KFABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408920351 1059019162 /nfs/dbraw/zinc/01/91/62/1059019162.db2.gz IRXBEHZKOZFILA-BQKWAYIGSA-N 0 0 536.606 2.749 40 0 KFABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408920352 1059584134 /nfs/dbraw/zinc/58/41/34/1059584134.db2.gz IRXBEHZKOZFILA-GMPUOFRTSA-N 0 0 536.606 2.749 40 0 KFABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408921300 1059584056 /nfs/dbraw/zinc/58/40/56/1059584056.db2.gz BNLHTXUKEMVUKW-IBYCJETLSA-N 0 0 566.632 2.757 40 0 KFABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408921308 1059584011 /nfs/dbraw/zinc/58/40/11/1059584011.db2.gz BNLHTXUKEMVUKW-OFCKJYIJSA-N 0 0 566.632 2.757 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408921531 1059019096 /nfs/dbraw/zinc/01/90/96/1059019096.db2.gz COIJTKQVYLERRM-AFHVAHMMSA-N 0 0 510.568 2.530 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408921535 1059583514 /nfs/dbraw/zinc/58/35/14/1059583514.db2.gz COIJTKQVYLERRM-ZRELAVNMSA-N 0 0 510.568 2.530 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000408923598 1059583498 /nfs/dbraw/zinc/58/34/98/1059583498.db2.gz GRMIYFDGOQREPO-MFUBYVTQSA-N 0 0 554.621 2.841 40 0 KFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000408923599 1059019204 /nfs/dbraw/zinc/01/92/04/1059019204.db2.gz GRMIYFDGOQREPO-RWTNITNYSA-N 0 0 554.621 2.841 40 0 KFABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3)S(C)(=O)=O)cc2)cc1 ZINC000408924391 1059583393 /nfs/dbraw/zinc/58/33/93/1059583393.db2.gz HXEBCHZUMLVUIM-UHFFFAOYSA-N 0 0 519.601 2.909 40 0 KFABRN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OCC)=C(C)N=2 ZINC000408924786 1059582795 /nfs/dbraw/zinc/58/27/95/1059582795.db2.gz RDTFVOCGXWOQKT-HVUZKSCUSA-N 0 0 506.580 2.740 40 0 KFABRN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OCC)=C(C)N=2 ZINC000408924787 1059583286 /nfs/dbraw/zinc/58/32/86/1059583286.db2.gz RDTFVOCGXWOQKT-VNSJDZJPSA-N 0 0 506.580 2.740 40 0 KFABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408925668 1059582734 /nfs/dbraw/zinc/58/27/34/1059582734.db2.gz SFFHXKNBEFNEND-ARLGEPFESA-N 0 0 566.632 2.757 40 0 KFABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408925670 1059582908 /nfs/dbraw/zinc/58/29/08/1059582908.db2.gz SFFHXKNBEFNEND-SCRHHBKZSA-N 0 0 566.632 2.757 40 0 KFABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408926366 1059582715 /nfs/dbraw/zinc/58/27/15/1059582715.db2.gz NBZOAQQBYYVRPE-CJIXEESDSA-N 0 0 596.658 2.766 40 0 KFABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408926373 1059582818 /nfs/dbraw/zinc/58/28/18/1059582818.db2.gz NBZOAQQBYYVRPE-ZDZYTSRMSA-N 0 0 596.658 2.766 40 0 KFABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408927068 1059019421 /nfs/dbraw/zinc/01/94/21/1059019421.db2.gz VJRUFDNTUGWRBG-BQKWAYIGSA-N 0 0 536.606 2.749 40 0 KFABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408927076 1059582861 /nfs/dbraw/zinc/58/28/61/1059582861.db2.gz VJRUFDNTUGWRBG-GMPUOFRTSA-N 0 0 536.606 2.749 40 0 KFABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408927484 1059585563 /nfs/dbraw/zinc/58/55/63/1059585563.db2.gz PSBWAOBMDONJMU-CJIXEESDSA-N 0 0 596.658 2.766 40 0 KFABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408927488 1059585546 /nfs/dbraw/zinc/58/55/46/1059585546.db2.gz PSBWAOBMDONJMU-ZDZYTSRMSA-N 0 0 596.658 2.766 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(O)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408931987 1059588048 /nfs/dbraw/zinc/58/80/48/1059588048.db2.gz ANNPOXCPNKIGTF-HYIDZWCSSA-N 0 0 524.595 2.920 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(O)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408931988 1059588212 /nfs/dbraw/zinc/58/82/12/1059588212.db2.gz ANNPOXCPNKIGTF-XKKBFUJGSA-N 0 0 524.595 2.920 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(O)cc4O)c(=O)n32)cc1OCC ZINC000408932000 1059588176 /nfs/dbraw/zinc/58/81/76/1059588176.db2.gz APSUKTDVHAXSBA-CXUQIOAJSA-N 0 0 622.437 2.831 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(O)cc4O)c(=O)n32)cc1OCC ZINC000408932001 1059588103 /nfs/dbraw/zinc/58/81/03/1059588103.db2.gz APSUKTDVHAXSBA-YLQLIIAJSA-N 0 0 622.437 2.831 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)OC)c(I)c4)c(=O)n32)cc1OCC ZINC000408932042 1059588030 /nfs/dbraw/zinc/58/80/30/1059588030.db2.gz BAYJVIJWILKMRM-UTWPHBJQSA-N 0 0 678.501 2.972 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)OC)c(I)c4)c(=O)n32)cc1OCC ZINC000408932043 1059588087 /nfs/dbraw/zinc/58/80/87/1059588087.db2.gz BAYJVIJWILKMRM-VPVLBGOXSA-N 0 0 678.501 2.972 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408932155 1059588227 /nfs/dbraw/zinc/58/82/27/1059588227.db2.gz BEDTVUOMJZEPTF-HYIDZWCSSA-N 0 0 554.621 2.841 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408932156 1059020550 /nfs/dbraw/zinc/02/05/50/1059020550.db2.gz BEDTVUOMJZEPTF-XKKBFUJGSA-N 0 0 554.621 2.841 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(O)c(OC)c4)c(=O)n32)cc1OCC ZINC000408933000 1059587562 /nfs/dbraw/zinc/58/75/62/1059587562.db2.gz GLQRNTIVMYGEDQ-HIFDDZRDSA-N 0 0 510.568 2.530 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(O)c(OC)c4)c(=O)n32)cc1OCC ZINC000408933001 1059587543 /nfs/dbraw/zinc/58/75/43/1059587543.db2.gz GLQRNTIVMYGEDQ-TYBHGIAWSA-N 0 0 510.568 2.530 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(O)cc4O)c(=O)n32)cc1OCC ZINC000408933057 1059019540 /nfs/dbraw/zinc/01/95/40/1059019540.db2.gz HBKHYLMCLDEWDG-CXUQIOAJSA-N 0 0 575.437 2.989 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(O)cc4O)c(=O)n32)cc1OCC ZINC000408933058 1059586895 /nfs/dbraw/zinc/58/68/95/1059586895.db2.gz HBKHYLMCLDEWDG-YLQLIIAJSA-N 0 0 575.437 2.989 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(C(=O)OC)cc4)c(=O)n32)cc1OCC ZINC000408933210 1059019520 /nfs/dbraw/zinc/01/95/20/1059019520.db2.gz ILMNGLAVXFATTJ-UWYGHVLSSA-N 0 0 522.579 2.602 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(C(=O)OC)cc4)c(=O)n32)cc1OCC ZINC000408933211 1059002171 /nfs/dbraw/zinc/00/21/71/1059002171.db2.gz ILMNGLAVXFATTJ-ZWULCIMOSA-N 0 0 522.579 2.602 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(O)c(OC)c4)c(=O)n32)cc1OCC ZINC000408933353 1059019501 /nfs/dbraw/zinc/01/95/01/1059019501.db2.gz IUUSVJALEVCJPK-HIFDDZRDSA-N 0 0 540.594 2.538 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(O)c(OC)c4)c(=O)n32)cc1OCC ZINC000408933354 1059586768 /nfs/dbraw/zinc/58/67/68/1059586768.db2.gz IUUSVJALEVCJPK-TYBHGIAWSA-N 0 0 540.594 2.538 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408933439 1059586955 /nfs/dbraw/zinc/58/69/55/1059586955.db2.gz JQPDEVIORFEPLU-HYIDZWCSSA-N 0 0 524.595 2.833 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408933440 1059020081 /nfs/dbraw/zinc/02/00/81/1059020081.db2.gz JQPDEVIORFEPLU-XKKBFUJGSA-N 0 0 524.595 2.833 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(OC)ccc4OC)c(=O)n32)cc1OCC ZINC000408933647 1059586785 /nfs/dbraw/zinc/58/67/85/1059586785.db2.gz BTYSDJAIRMCHKI-AKKXDVJXSA-N 0 0 524.595 2.833 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(OC)ccc4OC)c(=O)n32)cc1OCC ZINC000408933648 1059586810 /nfs/dbraw/zinc/58/68/10/1059586810.db2.gz BTYSDJAIRMCHKI-PQBKBUHISA-N 0 0 524.595 2.833 40 0 KFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408934641 1059586871 /nfs/dbraw/zinc/58/68/71/1059586871.db2.gz CSKSYZDGRFEWKC-BYHQVZLYSA-N 0 0 500.960 2.784 40 0 KFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408934649 1059020061 /nfs/dbraw/zinc/02/00/61/1059020061.db2.gz CSKSYZDGRFEWKC-LYFUXTGPSA-N 0 0 500.960 2.784 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4OC)c(=O)n32)cc1OCC ZINC000408934829 1059586252 /nfs/dbraw/zinc/58/62/52/1059586252.db2.gz DGPHKFDEBLHROG-CLMUKVTESA-N 0 0 524.595 2.833 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4OC)c(=O)n32)cc1OCC ZINC000408934830 1059586187 /nfs/dbraw/zinc/58/61/87/1059586187.db2.gz DGPHKFDEBLHROG-DZSAKIAFSA-N 0 0 524.595 2.833 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccccc4OC(C)=O)c(=O)n32)cc1OCC ZINC000408935361 1059586277 /nfs/dbraw/zinc/58/62/77/1059586277.db2.gz DNNRZBPCNJWBFZ-AKKXDVJXSA-N 0 0 522.579 2.741 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccccc4OC(C)=O)c(=O)n32)cc1OCC ZINC000408935362 1059020357 /nfs/dbraw/zinc/02/03/57/1059020357.db2.gz DNNRZBPCNJWBFZ-PQBKBUHISA-N 0 0 522.579 2.741 40 0 KFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408935379 1059586309 /nfs/dbraw/zinc/58/63/09/1059586309.db2.gz DQFQYZHOIADARZ-BYHQVZLYSA-N 0 0 530.986 2.793 40 0 KFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408935380 1059586227 /nfs/dbraw/zinc/58/62/27/1059586227.db2.gz DQFQYZHOIADARZ-LYFUXTGPSA-N 0 0 530.986 2.793 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc5c(c4)OCCO5)c(=O)n32)cc1OCC ZINC000408935422 1059586205 /nfs/dbraw/zinc/58/62/05/1059586205.db2.gz DUAGDYOLSJOFLI-JDQXFBDKSA-N 0 0 522.579 2.587 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc5c(c4)OCCO5)c(=O)n32)cc1OCC ZINC000408935425 1059586093 /nfs/dbraw/zinc/58/60/93/1059586093.db2.gz DUAGDYOLSJOFLI-NXAROGRYSA-N 0 0 522.579 2.587 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc5c(c4)OCO5)c(=O)n32)cc1OCC ZINC000408936333 1059020573 /nfs/dbraw/zinc/02/05/73/1059020573.db2.gz PFMUKVXDIXYODP-KIJDSKARSA-N 0 0 508.552 2.544 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc5c(c4)OCO5)c(=O)n32)cc1OCC ZINC000408936335 1059585600 /nfs/dbraw/zinc/58/56/00/1059585600.db2.gz PFMUKVXDIXYODP-SOMWRMJPSA-N 0 0 508.552 2.544 40 0 KFABRN NS(=O)(=O)c1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408937048 1059021274 /nfs/dbraw/zinc/02/12/74/1059021274.db2.gz MERXOICOFMJNQJ-UHFFFAOYSA-N 0 0 538.445 2.926 40 0 KFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4O)c(=O)n32)cc1OCC ZINC000408937479 1059021200 /nfs/dbraw/zinc/02/12/00/1059021200.db2.gz QTBGGDPDCSSPHP-JFLYLQGUSA-N 0 0 510.568 2.530 40 0 KFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4O)c(=O)n32)cc1OCC ZINC000408937483 1059021225 /nfs/dbraw/zinc/02/12/25/1059021225.db2.gz QTBGGDPDCSSPHP-MUIAGPEESA-N 0 0 510.568 2.530 40 0 KFABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1 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ZINC000408945304 1059591669 /nfs/dbraw/zinc/59/16/69/1059591669.db2.gz NXTNGQCHZMGIGQ-ORVZPOCUSA-N 0 0 596.658 2.766 40 0 KFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408945904 1059590814 /nfs/dbraw/zinc/59/08/14/1059590814.db2.gz OHBZMWJZKJYPLL-JYWRCUDFSA-N 0 0 500.960 2.784 40 0 KFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408945909 1059022540 /nfs/dbraw/zinc/02/25/40/1059022540.db2.gz OHBZMWJZKJYPLL-JZVSFUAJSA-N 0 0 500.960 2.784 40 0 KFABRN COC(=O)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1 ZINC000408947567 1059024820 /nfs/dbraw/zinc/02/48/20/1059024820.db2.gz QLGSUYMFJJNPLB-RZXXJPOTSA-N 0 0 512.971 2.857 40 0 KFABRN COC(=O)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1 ZINC000408947602 1059024941 /nfs/dbraw/zinc/02/49/41/1059024941.db2.gz QLGSUYMFJJNPLB-XQJRBFNUSA-N 0 0 512.971 2.857 40 0 KFABRN COc1ccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 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