smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)cc1 ZINC000002970930 1059551225 /nfs/dbraw/zinc/55/12/25/1059551225.db2.gz GMBOVJLBXPNBLQ-UHFFFAOYSA-N 0 0 500.646 3.000 20 0 KGADRN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000015089746 1059002497 /nfs/dbraw/zinc/00/24/97/1059002497.db2.gz WCAGIRJDRUZURJ-INIZCTEOSA-N 0 0 506.625 3.186 20 0 KGADRN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000015089747 1059002554 /nfs/dbraw/zinc/00/25/54/1059002554.db2.gz WCAGIRJDRUZURJ-MRXNPFEDSA-N 0 0 506.625 3.186 20 0 KGADRN CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(=O)[nH]c1=O ZINC000015323067 1059008045 /nfs/dbraw/zinc/00/80/45/1059008045.db2.gz QVTNDSGZEBCKCN-UHFFFAOYSA-N 0 0 533.695 3.095 20 0 KGADRN CCCCN(C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000015323119 1059007931 /nfs/dbraw/zinc/00/79/31/1059007931.db2.gz JHBKQDJVIJHTFD-UHFFFAOYSA-N 0 0 519.602 3.282 20 0 KGADRN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000015324204 1059008020 /nfs/dbraw/zinc/00/80/20/1059008020.db2.gz QRBVRZCWKPLJIW-UHFFFAOYSA-N 0 0 523.677 3.108 20 0 KGADRN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(=O)[nH]c1=O ZINC000015324331 1059008445 /nfs/dbraw/zinc/00/84/45/1059008445.db2.gz OEOCWGXSPNXNHE-QFIPXVFZSA-N 0 0 522.602 3.332 20 0 KGADRN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(=O)[nH]c1=O ZINC000015324334 1059008393 /nfs/dbraw/zinc/00/83/93/1059008393.db2.gz OEOCWGXSPNXNHE-JOCHJYFZSA-N 0 0 522.602 3.332 20 0 KGADRN CCCCN(C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000015324719 1059008467 /nfs/dbraw/zinc/00/84/67/1059008467.db2.gz LZLSMRAIXIVWHM-UHFFFAOYSA-N 0 0 519.602 3.138 20 0 KGADRN Cc1noc(C)c1S(=O)(=O)N1CCN(Cn2nc(COc3ccc(Cl)cc3)oc2=S)CC1 ZINC000016879603 1059655416 /nfs/dbraw/zinc/65/54/16/1059655416.db2.gz RBXQGKBOQFTSSX-UHFFFAOYSA-N 0 0 500.002 3.007 20 0 KGADRN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000028242715 1059554704 /nfs/dbraw/zinc/55/47/04/1059554704.db2.gz HPQYXQLPVPOGLP-UHFFFAOYSA-N 0 0 500.005 3.494 20 0 KGADRN O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000028433805 1059138487 /nfs/dbraw/zinc/13/84/87/1059138487.db2.gz KZZOIPYAMLJSEE-CMDGGOBGSA-N 0 0 500.005 3.439 20 0 KGADRN CCCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000038139366 562062549 /nfs/dbraw/zinc/06/25/49/562062549.db2.gz BFHOXFZZUHLGJQ-UHFFFAOYSA-N 0 0 541.674 3.499 20 0 KGADRN CC[C@@H](CO)NC(=O)c1cc(I)cc(I)c1I ZINC000059237756 1059542313 /nfs/dbraw/zinc/54/23/13/1059542313.db2.gz XGTKOSMKIMQKSL-ZETCQYMHSA-N 0 0 570.934 3.001 20 0 KGADRN CC[C@H](CO)NC(=O)c1cc(I)cc(I)c1I ZINC000059237758 1059542336 /nfs/dbraw/zinc/54/23/36/1059542336.db2.gz XGTKOSMKIMQKSL-SSDOTTSWSA-N 0 0 570.934 3.001 20 0 KGADRN O=C(c1cc(I)cc(I)c1I)N1CCC[C@H](CO)C1 ZINC000059245821 1059542284 /nfs/dbraw/zinc/54/22/84/1059542284.db2.gz ZXOLYCODVJPMET-QMMMGPOBSA-N 0 0 596.972 3.345 20 0 KGADRN O=C(c1cc(I)cc(I)c1I)N1CCC[C@@H](CO)C1 ZINC000059245822 1059542707 /nfs/dbraw/zinc/54/27/07/1059542707.db2.gz ZXOLYCODVJPMET-MRVPVSSYSA-N 0 0 596.972 3.345 20 0 KGADRN O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000105472948 1059019015 /nfs/dbraw/zinc/01/90/15/1059019015.db2.gz UMILBYLVOCKNKP-UHFFFAOYSA-N 0 0 555.653 3.187 20 0 KGADRN CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccncc3)n2CCOC)c(C(=O)OCC)c1C ZINC000105590992 1059541733 /nfs/dbraw/zinc/54/17/33/1059541733.db2.gz NGTCXXCEIYDSMM-UHFFFAOYSA-N 0 0 533.632 3.441 20 0 KGADRN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000106178631 1059133771 /nfs/dbraw/zinc/13/37/71/1059133771.db2.gz NGEXXFNINNIXOB-UHFFFAOYSA-N 0 0 500.005 3.415 20 0 KGADRN O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000106865272 1059541786 /nfs/dbraw/zinc/54/17/86/1059541786.db2.gz KTEDETIBDRWALQ-UHFFFAOYSA-N 0 0 539.576 3.226 20 0 KGADRN COc1ccc(CCNC(=O)CSc2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)s2)cc1OC ZINC000110021044 1059076248 /nfs/dbraw/zinc/07/62/48/1059076248.db2.gz NIHUSSKTGVBZPL-UHFFFAOYSA-N 0 0 592.765 3.475 20 0 KGADRN O=C([O-])CN1C(=O)C2(CC[NH2+]CC2)N(c2ccccc2)[C@H]1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000118333257 1060061313 /nfs/dbraw/zinc/06/13/13/1060061313.db2.gz UXIBKZZYEKPLMY-MHZLTWQESA-N 0 0 511.578 3.224 20 0 KGADRN O=C([O-])CN1C(=O)C2(CC[NH2+]CC2)N(c2ccccc2)[C@@H]1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000118333261 1060061633 /nfs/dbraw/zinc/06/16/33/1060061633.db2.gz UXIBKZZYEKPLMY-HHHXNRCGSA-N 0 0 511.578 3.224 20 0 KGADRN CC[C@H](CO)N(C)CC(=O)Nc1c(I)cc(I)cc1I ZINC000393289119 1059561020 /nfs/dbraw/zinc/56/10/20/1059561020.db2.gz FGKTZLLLYTVPPK-SECBINFHSA-N 0 0 614.003 3.142 20 0 KGADRN CC[C@@H](CO)N(C)CC(=O)Nc1c(I)cc(I)cc1I ZINC000393289124 1059560807 /nfs/dbraw/zinc/56/08/07/1059560807.db2.gz FGKTZLLLYTVPPK-VIFPVBQESA-N 0 0 614.003 3.142 20 0 KGADRN CC(C)CNC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@@H](C)c1ccccc1 ZINC000514290748 1059253438 /nfs/dbraw/zinc/25/34/38/1059253438.db2.gz AAFOYBJNPDVKSL-FQEVSTJZSA-N 0 0 586.740 3.149 20 0 KGADRN CC(C)CNC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@H](C)c1ccccc1 ZINC000514290749 1059253421 /nfs/dbraw/zinc/25/34/21/1059253421.db2.gz AAFOYBJNPDVKSL-HXUWFJFHSA-N 0 0 586.740 3.149 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3nnc4n3c3ccccc3c(=O)n4CCCOC)nc2c1 ZINC000514290752 1059253467 /nfs/dbraw/zinc/25/34/67/1059253467.db2.gz AEIGSTGSRADURT-UHFFFAOYSA-N 0 0 555.686 3.280 20 0 KGADRN CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514290764 1059254002 /nfs/dbraw/zinc/25/40/02/1059254002.db2.gz APDRUPIHHSKKNI-UHFFFAOYSA-N 0 0 607.759 3.193 20 0 KGADRN O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)CC1 ZINC000514290783 1059253909 /nfs/dbraw/zinc/25/39/09/1059253909.db2.gz BJOXKRBFRUZGCY-DNQXCXABSA-N 0 0 690.848 3.020 20 0 KGADRN O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000514290784 1059253885 /nfs/dbraw/zinc/25/38/85/1059253885.db2.gz BJOXKRBFRUZGCY-PSWAGMNNSA-N 0 0 690.848 3.020 20 0 KGADRN O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000514290785 1059254044 /nfs/dbraw/zinc/25/40/44/1059254044.db2.gz BJOXKRBFRUZGCY-ZEQRLZLVSA-N 0 0 690.848 3.020 20 0 KGADRN CCOC(=O)CCCNC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1CCN1CCOCC1 ZINC000514290792 1059253927 /nfs/dbraw/zinc/25/39/27/1059253927.db2.gz BPRLHLVYPOUSAC-UHFFFAOYSA-N 0 0 544.699 3.009 20 0 KGADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514290802 1059253857 /nfs/dbraw/zinc/25/38/57/1059253857.db2.gz ABGFUYZSCHDHCL-NRFANRHFSA-N 0 0 561.661 3.015 20 0 KGADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514290803 1059254020 /nfs/dbraw/zinc/25/40/20/1059254020.db2.gz ABGFUYZSCHDHCL-OAQYLSRUSA-N 0 0 561.661 3.015 20 0 KGADRN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000514290812 1059254318 /nfs/dbraw/zinc/25/43/18/1059254318.db2.gz BZUQJMOXCGYSRM-FQEVSTJZSA-N 0 0 566.709 3.231 20 0 KGADRN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000514290814 1059254338 /nfs/dbraw/zinc/25/43/38/1059254338.db2.gz AHKXTIGMWLUOFD-UHFFFAOYSA-N 0 0 504.634 3.200 20 0 KGADRN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000514290815 1059251191 /nfs/dbraw/zinc/25/11/91/1059251191.db2.gz BZUQJMOXCGYSRM-HXUWFJFHSA-N 0 0 566.709 3.231 20 0 KGADRN CCOc1ccc(-n2c(SCC(=O)N3CCN(C)CC3)nnc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000514290818 1059251149 /nfs/dbraw/zinc/25/11/49/1059251149.db2.gz ALAUDKPZCNOVNK-UHFFFAOYSA-N 0 0 527.647 3.225 20 0 KGADRN CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccco1 ZINC000514290821 1059251088 /nfs/dbraw/zinc/25/10/88/1059251088.db2.gz AMKFKIQLWNWVHN-INIZCTEOSA-N 0 0 505.622 3.007 20 0 KGADRN CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccco1 ZINC000514290822 1059251002 /nfs/dbraw/zinc/25/10/02/1059251002.db2.gz AMKFKIQLWNWVHN-MRXNPFEDSA-N 0 0 505.622 3.007 20 0 KGADRN CN(C)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1 ZINC000514290843 1059251036 /nfs/dbraw/zinc/25/10/36/1059251036.db2.gz AOCDVLJAALWGKT-UHFFFAOYSA-N 0 0 507.682 3.042 20 0 KGADRN CC(C)c1ccccc1-n1c2nnc(SCC(=O)NCCCN3CCCC3=O)n2c2ccccc2c1=O ZINC000514290844 1059251104 /nfs/dbraw/zinc/25/11/04/1059251104.db2.gz AODLNFONBDPPKD-UHFFFAOYSA-N 0 0 518.643 3.378 20 0 KGADRN CC(C)CN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000514290849 1059251235 /nfs/dbraw/zinc/25/12/35/1059251235.db2.gz CIBWVSZWPWFGHD-BVAGGSTKSA-N 0 0 661.872 3.339 20 0 KGADRN CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)c(=O)[nH]c1=O ZINC000514290850 1059251126 /nfs/dbraw/zinc/25/11/26/1059251126.db2.gz AQOZHSPRLFLBLO-UHFFFAOYSA-N 0 0 526.663 3.167 20 0 KGADRN CC(C)CN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000514290852 1059251063 /nfs/dbraw/zinc/25/10/63/1059251063.db2.gz CIBWVSZWPWFGHD-JYFHCDHNSA-N 0 0 661.872 3.339 20 0 KGADRN CC(C)CN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000514290853 1059251700 /nfs/dbraw/zinc/25/17/00/1059251700.db2.gz CIBWVSZWPWFGHD-OZXSUGGESA-N 0 0 661.872 3.339 20 0 KGADRN CC(C)CN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000514290854 1059251719 /nfs/dbraw/zinc/25/17/19/1059251719.db2.gz CIBWVSZWPWFGHD-ZEQKJWHPSA-N 0 0 661.872 3.339 20 0 KGADRN O=S(=O)(c1cccc(-c2nnc(SC[C@@H]3CCCO3)n2-c2ccc(F)cc2)c1)N1CCOCC1 ZINC000514290877 1059251643 /nfs/dbraw/zinc/25/16/43/1059251643.db2.gz CLDTUQXBOKXUOU-FQEVSTJZSA-N 0 0 504.609 3.365 20 0 KGADRN O=S(=O)(c1cccc(-c2nnc(SC[C@H]3CCCO3)n2-c2ccc(F)cc2)c1)N1CCOCC1 ZINC000514290878 1059251736 /nfs/dbraw/zinc/25/17/36/1059251736.db2.gz CLDTUQXBOKXUOU-HXUWFJFHSA-N 0 0 504.609 3.365 20 0 KGADRN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 ZINC000514290888 1059138325 /nfs/dbraw/zinc/13/83/25/1059138325.db2.gz ABAXGCFDZXHVHX-FGZHOGPDSA-N 0 0 541.626 3.004 20 0 KGADRN CCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccccc1OC ZINC000514290891 1059138340 /nfs/dbraw/zinc/13/83/40/1059138340.db2.gz COXLUIPZXFNYSM-UHFFFAOYSA-N 0 0 531.660 3.034 20 0 KGADRN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 ZINC000514290892 1059139276 /nfs/dbraw/zinc/13/92/76/1059139276.db2.gz ABAXGCFDZXHVHX-SZPZYZBQSA-N 0 0 541.626 3.004 20 0 KGADRN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 ZINC000514290893 1059139261 /nfs/dbraw/zinc/13/92/61/1059139261.db2.gz ABAXGCFDZXHVHX-VXKWHMMOSA-N 0 0 541.626 3.004 20 0 KGADRN 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/nfs/dbraw/zinc/26/52/79/1059265279.db2.gz JWVIDKLKNGENOZ-UHFFFAOYSA-N 0 0 524.437 3.356 20 0 KGADRN C[C@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514292287 1059142417 /nfs/dbraw/zinc/14/24/17/1059142417.db2.gz LNPAZMJBGMISRX-FQEVSTJZSA-N 0 0 556.714 3.003 20 0 KGADRN C[C@@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514292288 1059142569 /nfs/dbraw/zinc/14/25/69/1059142569.db2.gz LNPAZMJBGMISRX-HXUWFJFHSA-N 0 0 556.714 3.003 20 0 KGADRN COCCN(C(=O)CCC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514292294 1059142668 /nfs/dbraw/zinc/14/26/68/1059142668.db2.gz KCTHJEKHRBMJMT-UHFFFAOYSA-N 0 0 542.662 3.326 20 0 KGADRN COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514292295 1059142655 /nfs/dbraw/zinc/14/26/55/1059142655.db2.gz LRKYJTPYOCVYLD-FQEVSTJZSA-N 0 0 652.799 3.180 20 0 KGADRN COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514292298 1059142643 /nfs/dbraw/zinc/14/26/43/1059142643.db2.gz LRKYJTPYOCVYLD-HXUWFJFHSA-N 0 0 652.799 3.180 20 0 KGADRN O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000514292339 1059143286 /nfs/dbraw/zinc/14/32/86/1059143286.db2.gz KMJOXSCBMHQQFO-UHFFFAOYSA-N 0 0 575.532 3.021 20 0 KGADRN Cn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)CCCC3 ZINC000514292343 1059143309 /nfs/dbraw/zinc/14/33/09/1059143309.db2.gz KIEQRAHLXGAFDO-UHFFFAOYSA-N 0 0 518.686 3.389 20 0 KGADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)Nc3ccc(Br)cc3C)CC2)cc1 ZINC000514292346 1059143299 /nfs/dbraw/zinc/14/32/99/1059143299.db2.gz KMSHWTXPFVLHHW-UHFFFAOYSA-N 0 0 566.474 3.090 20 0 KGADRN C[C@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2 ZINC000514292369 1059143325 /nfs/dbraw/zinc/14/33/25/1059143325.db2.gz KOAVGZIDZYFYDO-FQEVSTJZSA-N 0 0 599.735 3.236 20 0 KGADRN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2 ZINC000514292374 1059143372 /nfs/dbraw/zinc/14/33/72/1059143372.db2.gz KOAVGZIDZYFYDO-HXUWFJFHSA-N 0 0 599.735 3.236 20 0 KGADRN CCn1c(SCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514292377 1059143395 /nfs/dbraw/zinc/14/33/95/1059143395.db2.gz KOLMTOGNPWAGSY-JOCHJYFZSA-N 0 0 595.813 3.190 20 0 KGADRN CCn1c(SCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514292382 1059143340 /nfs/dbraw/zinc/14/33/40/1059143340.db2.gz KOLMTOGNPWAGSY-QFIPXVFZSA-N 0 0 595.813 3.190 20 0 KGADRN CCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)NCc1ccccc1OC ZINC000514292394 1059143363 /nfs/dbraw/zinc/14/33/63/1059143363.db2.gz LULBBODTQXXKOY-UHFFFAOYSA-N 0 0 532.688 3.274 20 0 KGADRN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)C1 ZINC000514292405 1059144295 /nfs/dbraw/zinc/14/42/95/1059144295.db2.gz LWHGGSZSYZONRH-BGYRXZFFSA-N 0 0 559.714 3.204 20 0 KGADRN C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)C1 ZINC000514292408 1059144277 /nfs/dbraw/zinc/14/42/77/1059144277.db2.gz LWHGGSZSYZONRH-PMACEKPBSA-N 0 0 559.714 3.204 20 0 KGADRN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)C1 ZINC000514292410 1059144384 /nfs/dbraw/zinc/14/43/84/1059144384.db2.gz LWHGGSZSYZONRH-WOJBJXKFSA-N 0 0 559.714 3.204 20 0 KGADRN O=C(Nc1cccc(I)c1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000514292420 1059144231 /nfs/dbraw/zinc/14/42/31/1059144231.db2.gz LXJIVLBBYIAGSG-UHFFFAOYSA-N 0 0 528.368 3.102 20 0 KGADRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000514292437 1059160747 /nfs/dbraw/zinc/16/07/47/1059160747.db2.gz LHVNRYUUGLZPSI-UHFFFAOYSA-N 0 0 557.641 3.187 20 0 KGADRN CC[C@H](C)NC(=O)CSc1nnc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1-c1ccccc1 ZINC000514292442 1059160753 /nfs/dbraw/zinc/16/07/53/1059160753.db2.gz KYCCAEGVYGZKSK-IBGZPJMESA-N 0 0 529.688 3.270 20 0 KGADRN CC[C@@H](C)NC(=O)CSc1nnc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1-c1ccccc1 ZINC000514292443 1059160739 /nfs/dbraw/zinc/16/07/39/1059160739.db2.gz KYCCAEGVYGZKSK-LJQANCHMSA-N 0 0 529.688 3.270 20 0 KGADRN COCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C ZINC000514292445 1059160783 /nfs/dbraw/zinc/16/07/83/1059160783.db2.gz KZPLNKSXDDPIKK-KRWDZBQOSA-N 0 0 524.064 3.449 20 0 KGADRN COCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C ZINC000514292450 1059160791 /nfs/dbraw/zinc/16/07/91/1059160791.db2.gz KZPLNKSXDDPIKK-QGZVFWFLSA-N 0 0 524.064 3.449 20 0 KGADRN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000514292452 1059160770 /nfs/dbraw/zinc/16/07/70/1059160770.db2.gz LBHWOKZZEWLSJC-GASCZTMLSA-N 0 0 525.421 3.467 20 0 KGADRN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000514292461 1059160766 /nfs/dbraw/zinc/16/07/66/1059160766.db2.gz LBHWOKZZEWLSJC-GJZGRUSLSA-N 0 0 525.421 3.467 20 0 KGADRN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000514292462 1059160778 /nfs/dbraw/zinc/16/07/78/1059160778.db2.gz LBHWOKZZEWLSJC-HUUCEWRRSA-N 0 0 525.421 3.467 20 0 KGADRN CCn1c(CSc2nc3ccccc3c(=O)n2CC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514292464 1059161680 /nfs/dbraw/zinc/16/16/80/1059161680.db2.gz MLNZNTOLHNQOLL-UHFFFAOYSA-N 0 0 513.645 3.099 20 0 KGADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)CC2)cc1 ZINC000514292469 1059161589 /nfs/dbraw/zinc/16/15/89/1059161589.db2.gz MMRUHZYPLRDVCD-UHFFFAOYSA-N 0 0 526.080 3.472 20 0 KGADRN CC(C)CN(C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1C)[C@H]1CCS(=O)(=O)C1 ZINC000514292492 1059161535 /nfs/dbraw/zinc/16/15/35/1059161535.db2.gz MPQVLMZANSEJMS-KRWDZBQOSA-N 0 0 505.687 3.426 20 0 KGADRN CC[C@@H](c1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n1CCN1CCOCC1)N(C)C ZINC000514292493 1059161625 /nfs/dbraw/zinc/16/16/25/1059161625.db2.gz LGLQKBAZVSQGGT-FQEVSTJZSA-N 0 0 530.695 3.395 20 0 KGADRN CC(C)CN(C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000514292494 1059158076 /nfs/dbraw/zinc/15/80/76/1059158076.db2.gz MPQVLMZANSEJMS-QGZVFWFLSA-N 0 0 505.687 3.426 20 0 KGADRN CC(C)CN(C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000514292495 1059158005 /nfs/dbraw/zinc/15/80/05/1059158005.db2.gz MZTCSQDBVYHDOT-NRFANRHFSA-N 0 0 505.710 3.017 20 0 KGADRN CC[C@H](c1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n1CCN1CCOCC1)N(C)C ZINC000514292498 1059158089 /nfs/dbraw/zinc/15/80/89/1059158089.db2.gz LGLQKBAZVSQGGT-HXUWFJFHSA-N 0 0 530.695 3.395 20 0 KGADRN CC(C)CN(C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000514292501 1059158050 /nfs/dbraw/zinc/15/80/50/1059158050.db2.gz MZTCSQDBVYHDOT-OAQYLSRUSA-N 0 0 505.710 3.017 20 0 KGADRN COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 ZINC000514292508 1059158890 /nfs/dbraw/zinc/15/88/90/1059158890.db2.gz NBQLRKFCJHZDFZ-UHFFFAOYSA-N 0 0 522.675 3.476 20 0 KGADRN CCOCCCn1c2nnc(SCC(=O)Nc3sc(C(=O)NC)c(C)c3C(=O)OCC)n2c2ccccc2c1=O ZINC000514292511 1059158864 /nfs/dbraw/zinc/15/88/64/1059158864.db2.gz NENZLVXENYOFNB-UHFFFAOYSA-N 0 0 586.696 3.108 20 0 KGADRN CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(=O)[nH]c1=O ZINC000514292513 1059158816 /nfs/dbraw/zinc/15/88/16/1059158816.db2.gz MYDBVXRCSQNMSG-UHFFFAOYSA-N 0 0 597.138 3.177 20 0 KGADRN COc1ccc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)cc1 ZINC000514292523 1059158808 /nfs/dbraw/zinc/15/88/08/1059158808.db2.gz NJLVNZARAYSFNM-KRWDZBQOSA-N 0 0 532.644 3.118 20 0 KGADRN COc1ccc(Cc2nnc(S[C@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)cc1 ZINC000514292524 1059158852 /nfs/dbraw/zinc/15/88/52/1059158852.db2.gz NJLVNZARAYSFNM-QGZVFWFLSA-N 0 0 532.644 3.118 20 0 KGADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)n2[C@@H](C)COC)c1 ZINC000514292534 1059158875 /nfs/dbraw/zinc/15/88/75/1059158875.db2.gz LQJOADLAKBIKDB-IBGZPJMESA-N 0 0 624.811 3.164 20 0 KGADRN CCCCN(C(=O)CSc1nnc(COc2ccccc2Cl)n1C)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000514292537 1059158831 /nfs/dbraw/zinc/15/88/31/1059158831.db2.gz NMRNOJBBSOCIRY-UHFFFAOYSA-N 0 0 536.058 3.227 20 0 KGADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)n2[C@H](C)COC)c1 ZINC000514292540 1059158839 /nfs/dbraw/zinc/15/88/39/1059158839.db2.gz LQJOADLAKBIKDB-LJQANCHMSA-N 0 0 624.811 3.164 20 0 KGADRN CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 ZINC000514292541 1059159810 /nfs/dbraw/zinc/15/98/10/1059159810.db2.gz LQLYQCJYKGDJDT-IFMALSPDSA-N 0 0 615.844 3.091 20 0 KGADRN CCCCN(C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514292542 1059159928 /nfs/dbraw/zinc/15/99/28/1059159928.db2.gz NNFIUIDWKVNGIL-UHFFFAOYSA-N 0 0 614.725 3.183 20 0 KGADRN CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 ZINC000514292545 1059159880 /nfs/dbraw/zinc/15/98/80/1059159880.db2.gz LQLYQCJYKGDJDT-IRLDBZIGSA-N 0 0 615.844 3.091 20 0 KGADRN CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 ZINC000514292546 1059159918 /nfs/dbraw/zinc/15/99/18/1059159918.db2.gz LQLYQCJYKGDJDT-RBBKRZOGSA-N 0 0 615.844 3.091 20 0 KGADRN CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 ZINC000514292547 1059159958 /nfs/dbraw/zinc/15/99/58/1059159958.db2.gz LQLYQCJYKGDJDT-UNMCSNQZSA-N 0 0 615.844 3.091 20 0 KGADRN CCCCN(C(=O)CSc1nc2sc(C)c(CC)c2c(=O)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000514292548 1059159856 /nfs/dbraw/zinc/15/98/56/1059159856.db2.gz LSCGSBOINAPCTR-MSOLQXFVSA-N 0 0 541.761 3.416 20 0 KGADRN CCCCN(C(=O)CSc1nc2sc(C)c(CC)c2c(=O)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000514292551 1059159901 /nfs/dbraw/zinc/15/99/01/1059159901.db2.gz LSCGSBOINAPCTR-QZTJIDSGSA-N 0 0 541.761 3.416 20 0 KGADRN CCCCN(C(=O)CSc1nc2sc(C)c(CC)c2c(=O)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000514292554 1059159944 /nfs/dbraw/zinc/15/99/44/1059159944.db2.gz LSCGSBOINAPCTR-ROUUACIJSA-N 0 0 541.761 3.416 20 0 KGADRN CCCCN(C(=O)CSc1nc2sc(C)c(CC)c2c(=O)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000514292555 1059159978 /nfs/dbraw/zinc/15/99/78/1059159978.db2.gz LSCGSBOINAPCTR-ZWKOTPCHSA-N 0 0 541.761 3.416 20 0 KGADRN COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000514292556 1059159833 /nfs/dbraw/zinc/15/98/33/1059159833.db2.gz NQRPBSUCAUPNHA-KRWDZBQOSA-N 0 0 516.649 3.273 20 0 KGADRN COc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000514292558 1059160760 /nfs/dbraw/zinc/16/07/60/1059160760.db2.gz NQRPBSUCAUPNHA-QGZVFWFLSA-N 0 0 516.649 3.273 20 0 KGADRN CCOCCCn1c2nnc(SCC(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)n2c2ccccc2c1=O ZINC000514292594 1059156978 /nfs/dbraw/zinc/15/69/78/1059156978.db2.gz NWDOTFGRACZZGE-UHFFFAOYSA-N 0 0 614.750 3.385 20 0 KGADRN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nn2c(nnc(C(C)(C)C)c2=O)s1 ZINC000514292603 1059157047 /nfs/dbraw/zinc/15/70/47/1059157047.db2.gz ODGILXASDKOLGR-UHFFFAOYSA-N 0 0 514.555 3.052 20 0 KGADRN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000514292606 1059158029 /nfs/dbraw/zinc/15/80/29/1059158029.db2.gz MWKLNTBIIWUOHK-UHFFFAOYSA-N 0 0 511.666 3.399 20 0 KGADRN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000514292618 1059158113 /nfs/dbraw/zinc/15/81/13/1059158113.db2.gz MYKZOHFZQJODNH-UHFFFAOYSA-N 0 0 556.106 3.154 20 0 KGADRN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(CN4CCCC4)n3-c3ccccc3)cc2)C[C@@H](C)O1 ZINC000514292630 1059158117 /nfs/dbraw/zinc/15/81/17/1059158117.db2.gz OGDPHGOTJRNUPI-NHCUHLMSSA-N 0 0 570.741 3.392 20 0 KGADRN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(CN4CCCC4)n3-c3ccccc3)cc2)C[C@H](C)O1 ZINC000514292633 1059157983 /nfs/dbraw/zinc/15/79/83/1059157983.db2.gz OGDPHGOTJRNUPI-OYRHEFFESA-N 0 0 570.741 3.392 20 0 KGADRN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(CN4CCCC4)n3-c3ccccc3)cc2)C[C@H](C)O1 ZINC000514292635 1059158136 /nfs/dbraw/zinc/15/81/36/1059158136.db2.gz OGDPHGOTJRNUPI-SFTDATJTSA-N 0 0 570.741 3.392 20 0 KGADRN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000514292638 1059158038 /nfs/dbraw/zinc/15/80/38/1059158038.db2.gz NINBLHKLCGWANE-UHFFFAOYSA-N 0 0 611.186 3.391 20 0 KGADRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C ZINC000514292650 1059155373 /nfs/dbraw/zinc/15/53/73/1059155373.db2.gz PBAHGGFOUBUIBQ-UHFFFAOYSA-N 0 0 567.089 3.391 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)c1 ZINC000514292654 1060033295 /nfs/dbraw/zinc/03/32/95/1060033295.db2.gz NMZSGOVRIZEAKT-KRWDZBQOSA-N 0 0 523.681 3.313 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)c1 ZINC000514292655 1060033381 /nfs/dbraw/zinc/03/33/81/1060033381.db2.gz NMZSGOVRIZEAKT-QGZVFWFLSA-N 0 0 523.681 3.313 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1N1CCCCC1)n2C ZINC000514292656 1059155284 /nfs/dbraw/zinc/15/52/84/1059155284.db2.gz NNGWAVGPWMSQPD-UHFFFAOYSA-N 0 0 646.836 3.186 20 0 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568.479 3.047 20 0 KGADRN O=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000514303912 1059270384 /nfs/dbraw/zinc/27/03/84/1059270384.db2.gz QMABKDPCAYVASJ-QFIPXVFZSA-N 0 0 568.479 3.047 20 0 KGADRN O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000514303949 1059270435 /nfs/dbraw/zinc/27/04/35/1059270435.db2.gz RAYXDLDMRPHARP-NRFANRHFSA-N 0 0 511.566 3.121 20 0 KGADRN O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000514303950 1059270367 /nfs/dbraw/zinc/27/03/67/1059270367.db2.gz RAYXDLDMRPHARP-OAQYLSRUSA-N 0 0 511.566 3.121 20 0 KGADRN CCCCn1c(CCC(=O)N2CCN(c3nccs3)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000514303993 1059269945 /nfs/dbraw/zinc/26/99/45/1059269945.db2.gz RSCVHAQFSWPYMY-UHFFFAOYSA-N 0 0 530.720 3.359 20 0 KGADRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@@H]3CCCO3)CC2)cc1 ZINC000514304010 1059269897 /nfs/dbraw/zinc/26/98/97/1059269897.db2.gz RTHUKFAEGYOBKF-DEOSSOPVSA-N 0 0 543.686 3.359 20 0 KGADRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@H]3CCCO3)CC2)cc1 ZINC000514304012 1059269855 /nfs/dbraw/zinc/26/98/55/1059269855.db2.gz RTHUKFAEGYOBKF-XMMPIXPASA-N 0 0 543.686 3.359 20 0 KGADRN CCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1S(=O)(=O)N1CCOCC1 ZINC000514304336 1059274784 /nfs/dbraw/zinc/27/47/84/1059274784.db2.gz RVJKWZJLTHIACM-UHFFFAOYSA-N 0 0 541.626 3.287 20 0 KGADRN COc1ccc(N(CCC(=O)N2CCC(C(=O)N(C)C)CC2)S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000514304384 1059274807 /nfs/dbraw/zinc/27/48/07/1059274807.db2.gz SKHUOEMKYPBQBO-UHFFFAOYSA-N 0 0 508.040 3.261 20 0 KGADRN CCCCCN(C(=O)CCC(=O)Nc1cccc(C(=O)NCC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000514304394 1059274220 /nfs/dbraw/zinc/27/42/20/1059274220.db2.gz SQKOYYXBEOCXMP-UHFFFAOYSA-N 0 0 514.627 3.023 20 0 KGADRN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2c1CCS(=O)(=O)C2 ZINC000514304406 1059274201 /nfs/dbraw/zinc/27/42/01/1059274201.db2.gz STJKUTDXAWQMIL-HNNXBMFYSA-N 0 0 540.685 3.211 20 0 KGADRN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CCS(=O)(=O)C2 ZINC000514304409 1059274153 /nfs/dbraw/zinc/27/41/53/1059274153.db2.gz STJKUTDXAWQMIL-OAHLLOKOSA-N 0 0 540.685 3.211 20 0 KGADRN O=C(CN1CCC(NC(=O)c2ccccc2)CC1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000514304410 1059274109 /nfs/dbraw/zinc/27/41/09/1059274109.db2.gz SUJOJEHEHYORJM-UHFFFAOYSA-N 0 0 505.482 3.049 20 0 KGADRN O=C(CSCc1cccc(Cl)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000514304412 1059274178 /nfs/dbraw/zinc/27/41/78/1059274178.db2.gz SVPNICLJDDVVBX-UHFFFAOYSA-N 0 0 526.080 3.069 20 0 KGADRN Cc1sc2ncn(CCC(=O)N3CCCc4cc(S(=O)(=O)N5CCCC5)ccc43)c(=O)c2c1C ZINC000514304427 1059274701 /nfs/dbraw/zinc/27/47/01/1059274701.db2.gz TWFNUUZPWLBRSP-UHFFFAOYSA-N 0 0 500.646 3.229 20 0 KGADRN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000514304435 1059274740 /nfs/dbraw/zinc/27/47/40/1059274740.db2.gz UEBGGLIFRJNYDZ-UHFFFAOYSA-N 0 0 546.042 3.425 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N(CC)CC)cc32)c1 ZINC000514304443 1059274825 /nfs/dbraw/zinc/27/48/25/1059274825.db2.gz UPOTUSLPUZPGNZ-UHFFFAOYSA-N 0 0 564.686 3.262 20 0 KGADRN O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000514304475 1059274763 /nfs/dbraw/zinc/27/47/63/1059274763.db2.gz VXQWTOKGMNSGGN-UHFFFAOYSA-N 0 0 513.616 3.123 20 0 KGADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)c(OCC)c(OC)c3)CC2)cc1 ZINC000514304683 1059274265 /nfs/dbraw/zinc/27/42/65/1059274265.db2.gz WGMPQUDLELDOBZ-UHFFFAOYSA-N 0 0 510.996 3.071 20 0 KGADRN COCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514304692 1059273566 /nfs/dbraw/zinc/27/35/66/1059273566.db2.gz WMTGEXVLGHDHAB-UHFFFAOYSA-N 0 0 644.072 3.332 20 0 KGADRN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)cc1 ZINC000514304695 1059273630 /nfs/dbraw/zinc/27/36/30/1059273630.db2.gz WNBDVVDFXMUSCW-UHFFFAOYSA-N 0 0 574.025 3.495 20 0 KGADRN COCCCn1c(SCC(=O)Nc2ccc(C(=O)N(C)C)cc2)nnc1-c1ccc(OC)c(OC)c1 ZINC000514304706 1059273689 /nfs/dbraw/zinc/27/36/89/1059273689.db2.gz XAEUOKHBKPDIKB-UHFFFAOYSA-N 0 0 513.620 3.431 20 0 KGADRN COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)N3CCCCC3)CC2)c(C(=O)OC)c1C ZINC000514304736 1059274308 /nfs/dbraw/zinc/27/43/08/1059274308.db2.gz YBIYCZANJUAHCZ-UHFFFAOYSA-N 0 0 591.708 3.295 20 0 KGADRN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000514304746 1059274087 /nfs/dbraw/zinc/27/40/87/1059274087.db2.gz YKIFHHQRADBEFJ-UHFFFAOYSA-N 0 0 515.604 3.033 20 0 KGADRN CCOCCCn1c(=O)c2cc(Br)ccc2nc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000514304779 1059274242 /nfs/dbraw/zinc/27/42/42/1059274242.db2.gz ZLMKFSIXROPJBP-UHFFFAOYSA-N 0 0 655.593 3.346 20 0 KGADRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000514373997 1059291173 /nfs/dbraw/zinc/29/11/73/1059291173.db2.gz CVGUZXRPZOTZDH-UHFFFAOYSA-N 0 0 550.684 3.036 20 0 KGADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2[C@@H](C)COC)c1 ZINC000514374071 1060033934 /nfs/dbraw/zinc/03/39/34/1060033934.db2.gz HHHAJKQBOUJIRA-HNNXBMFYSA-N 0 0 522.653 3.210 20 0 KGADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2[C@H](C)COC)c1 ZINC000514374072 1060033879 /nfs/dbraw/zinc/03/38/79/1060033879.db2.gz HHHAJKQBOUJIRA-OAHLLOKOSA-N 0 0 522.653 3.210 20 0 KGADRN CCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514374083 1059291212 /nfs/dbraw/zinc/29/12/12/1059291212.db2.gz HPDSKHBCPPMOPY-UHFFFAOYSA-N 0 0 566.709 3.302 20 0 KGADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccn(C)c3)n2[C@@H](C)COC)c1 ZINC000514374139 1059291193 /nfs/dbraw/zinc/29/11/93/1059291193.db2.gz JQZKCULNSBVOPA-KRWDZBQOSA-N 0 0 505.666 3.497 20 0 KGADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccn(C)c3)n2[C@H](C)COC)c1 ZINC000514374140 1059291230 /nfs/dbraw/zinc/29/12/30/1059291230.db2.gz JQZKCULNSBVOPA-QGZVFWFLSA-N 0 0 505.666 3.497 20 0 KGADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3nc(CC(=O)OC)cs3)n2[C@@H](C)COC)c1 ZINC000514374219 1059290637 /nfs/dbraw/zinc/29/06/37/1059290637.db2.gz NFVIHTIXNHGUKN-INIZCTEOSA-N 0 0 596.757 3.086 20 0 KGADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3nc(CC(=O)OC)cs3)n2[C@H](C)COC)c1 ZINC000514374220 1059290561 /nfs/dbraw/zinc/29/05/61/1059290561.db2.gz NFVIHTIXNHGUKN-MRXNPFEDSA-N 0 0 596.757 3.086 20 0 KGADRN COCCN(C(=O)CSc1nnc(-c2ccccc2F)n1CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514374229 1059290743 /nfs/dbraw/zinc/29/07/43/1059290743.db2.gz NWVVFTYKTOYTIY-UHFFFAOYSA-N 0 0 547.657 3.012 20 0 KGADRN C[C@@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000514374243 1059290654 /nfs/dbraw/zinc/29/06/54/1059290654.db2.gz OMTSGFSMPCKKNS-CYBMUJFWSA-N 0 0 506.675 3.243 20 0 KGADRN C[C@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000514374244 1059290762 /nfs/dbraw/zinc/29/07/62/1059290762.db2.gz OMTSGFSMPCKKNS-ZDUSSCGKSA-N 0 0 506.675 3.243 20 0 KGADRN COc1ccc(-c2nnc(SCC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)o2)cc1 ZINC000514374343 1059290589 /nfs/dbraw/zinc/29/05/89/1059290589.db2.gz ADMBTJSFTFGSFI-UHFFFAOYSA-N 0 0 502.597 3.027 20 0 KGADRN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)NC(=O)NC1CCCCC1 ZINC000514374349 1059290615 /nfs/dbraw/zinc/29/06/15/1059290615.db2.gz AQSUPLBUWCJBQY-UHFFFAOYSA-N 0 0 507.638 3.162 20 0 KGADRN CCCn1c(N)c(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)c(=O)[nH]c1=O ZINC000514374355 1059290697 /nfs/dbraw/zinc/29/06/97/1059290697.db2.gz AUBNPYTZCSXQRU-UHFFFAOYSA-N 0 0 549.604 3.084 20 0 KGADRN COCCN(C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514374363 1059291137 /nfs/dbraw/zinc/29/11/37/1059291137.db2.gz AWBHVVMGTIYJSL-UHFFFAOYSA-N 0 0 622.727 3.057 20 0 KGADRN CCCCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCCOC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000514374376 1059291120 /nfs/dbraw/zinc/29/11/20/1059291120.db2.gz ATVQHWLVFJHMPI-UHFFFAOYSA-N 0 0 558.705 3.393 20 0 KGADRN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1n[nH]c(-c2ccccc2F)n1 ZINC000514374395 1059291268 /nfs/dbraw/zinc/29/12/68/1059291268.db2.gz BFPWRYPUPOUTPR-UHFFFAOYSA-N 0 0 548.666 3.209 20 0 KGADRN CCOC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@H](C)c1ccccc1 ZINC000514374396 1059291159 /nfs/dbraw/zinc/29/11/59/1059291159.db2.gz BLJWUCHVCZZPPL-GOSISDBHSA-N 0 0 516.645 3.231 20 0 KGADRN CCOC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@@H](C)c1ccccc1 ZINC000514374397 1059291249 /nfs/dbraw/zinc/29/12/49/1059291249.db2.gz BLJWUCHVCZZPPL-SFHVURJKSA-N 0 0 516.645 3.231 20 0 KGADRN CCN(CC)C(=O)CSc1nnc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1-c1ccccc1 ZINC000514374401 1059300565 /nfs/dbraw/zinc/30/05/65/1059300565.db2.gz BISUMGGTWBZPKO-UHFFFAOYSA-N 0 0 529.688 3.224 20 0 KGADRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1 ZINC000514374402 1059300542 /nfs/dbraw/zinc/30/05/42/1059300542.db2.gz BMPWGMBUVNYYMC-IBGZPJMESA-N 0 0 612.734 3.366 20 0 KGADRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1 ZINC000514374403 1059300519 /nfs/dbraw/zinc/30/05/19/1059300519.db2.gz BMPWGMBUVNYYMC-LJQANCHMSA-N 0 0 612.734 3.366 20 0 KGADRN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nnc(CN3CCCC3=O)o2)nc1C ZINC000514374416 1059300939 /nfs/dbraw/zinc/30/09/39/1059300939.db2.gz BOFARVQORFHOIZ-UHFFFAOYSA-N 0 0 515.617 3.459 20 0 KGADRN C[C@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514374418 1059301038 /nfs/dbraw/zinc/30/10/38/1059301038.db2.gz BRKLEJCVVSMIPO-HKUYNNGSSA-N 0 0 563.727 3.326 20 0 KGADRN C[C@@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514374419 1059301104 /nfs/dbraw/zinc/30/11/04/1059301104.db2.gz BRKLEJCVVSMIPO-IEBWSBKVSA-N 0 0 563.727 3.326 20 0 KGADRN C[C@@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514374420 1059301016 /nfs/dbraw/zinc/30/10/16/1059301016.db2.gz BRKLEJCVVSMIPO-MJGOQNOKSA-N 0 0 563.727 3.326 20 0 KGADRN C[C@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514374421 1059300875 /nfs/dbraw/zinc/30/08/75/1059300875.db2.gz BRKLEJCVVSMIPO-PKOBYXMFSA-N 0 0 563.727 3.326 20 0 KGADRN CCn1c(SCC(=O)NCc2ccc(OC)c(OC)c2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514374429 1059300994 /nfs/dbraw/zinc/30/09/94/1059300994.db2.gz BPMFPIYYEVOECF-UHFFFAOYSA-N 0 0 545.687 3.175 20 0 KGADRN CCCCn1c(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1[C@@H](CC)N(C)C ZINC000514374430 1059300900 /nfs/dbraw/zinc/30/09/00/1059300900.db2.gz BRBFOAGHMPVFPH-GHTZIAJQSA-N 0 0 538.740 3.231 20 0 KGADRN CCCCn1c(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1[C@H](CC)N(C)C ZINC000514374431 1059301062 /nfs/dbraw/zinc/30/10/62/1059301062.db2.gz BRBFOAGHMPVFPH-NQIIRXRSSA-N 0 0 538.740 3.231 20 0 KGADRN CCCCn1c(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1[C@H](CC)N(C)C ZINC000514374432 1059300960 /nfs/dbraw/zinc/30/09/60/1059300960.db2.gz BRBFOAGHMPVFPH-RXVVDRJESA-N 0 0 538.740 3.231 20 0 KGADRN CCCCn1c(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1[C@@H](CC)N(C)C ZINC000514374434 1059301562 /nfs/dbraw/zinc/30/15/62/1059301562.db2.gz BRBFOAGHMPVFPH-WIYYLYMNSA-N 0 0 538.740 3.231 20 0 KGADRN CC(C)CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514374436 1059301607 /nfs/dbraw/zinc/30/16/07/1059301607.db2.gz BRDLTMNQVHKSBG-UHFFFAOYSA-N 0 0 520.059 3.417 20 0 KGADRN CCCCN(C(=O)CSc1nc2ccc(Br)cc2c(=O)n1CC)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000514374439 1059301409 /nfs/dbraw/zinc/30/14/09/1059301409.db2.gz CGNMIJQANQVEOX-UHFFFAOYSA-N 0 0 565.494 3.359 20 0 KGADRN Cc1sc2nc(SCC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)n(C)c(=O)c2c1C ZINC000514374460 1059301470 /nfs/dbraw/zinc/30/14/70/1059301470.db2.gz CAXZYGKGCYOOPN-UHFFFAOYSA-N 0 0 543.092 3.017 20 0 KGADRN Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2C)c1 ZINC000514374462 1059301368 /nfs/dbraw/zinc/30/13/68/1059301368.db2.gz CTHSKSUPZFJGSN-GOSISDBHSA-N 0 0 515.661 3.239 20 0 KGADRN Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2C)c1 ZINC000514374465 1059301430 /nfs/dbraw/zinc/30/14/30/1059301430.db2.gz CTHSKSUPZFJGSN-SFHVURJKSA-N 0 0 515.661 3.239 20 0 KGADRN O=C(CSc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000514374467 1059301334 /nfs/dbraw/zinc/30/13/34/1059301334.db2.gz CTTANUGAVKZYMO-UHFFFAOYSA-N 0 0 545.605 3.294 20 0 KGADRN C[C@H](Sc1ncnc2sc3c(c21)CCC3)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000514374471 1059301386 /nfs/dbraw/zinc/30/13/86/1059301386.db2.gz CVWOWIZBULFBFF-AWEZNQCLSA-N 0 0 504.659 3.320 20 0 KGADRN C[C@@H](Sc1ncnc2sc3c(c21)CCC3)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000514374472 1059301449 /nfs/dbraw/zinc/30/14/49/1059301449.db2.gz CVWOWIZBULFBFF-CQSZACIVSA-N 0 0 504.659 3.320 20 0 KGADRN CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c(=O)[nH]c1=O ZINC000514374473 1059300156 /nfs/dbraw/zinc/30/01/56/1059300156.db2.gz CZORKNZFIKZRPZ-UHFFFAOYSA-N 0 0 545.666 3.460 20 0 KGADRN CC[C@H](c1nnc(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)n1CCN1CCOCC1)N(C)C ZINC000514374476 1059300094 /nfs/dbraw/zinc/30/00/94/1059300094.db2.gz CIRWTIRKUXYXOJ-GOSISDBHSA-N 0 0 550.751 3.081 20 0 KGADRN CC[C@@H](c1nnc(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)n1CCN1CCOCC1)N(C)C ZINC000514374477 1059300006 /nfs/dbraw/zinc/30/00/06/1059300006.db2.gz CIRWTIRKUXYXOJ-SFHVURJKSA-N 0 0 550.751 3.081 20 0 KGADRN C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514374479 1059300074 /nfs/dbraw/zinc/30/00/74/1059300074.db2.gz CKPRKOICMMDIJS-JOCHJYFZSA-N 0 0 584.768 3.453 20 0 KGADRN C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514374480 1059300051 /nfs/dbraw/zinc/30/00/51/1059300051.db2.gz CKPRKOICMMDIJS-QFIPXVFZSA-N 0 0 584.768 3.453 20 0 KGADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)NC3CC3)n2CCc2ccccc2)c1 ZINC000514374510 1059300135 /nfs/dbraw/zinc/30/01/35/1059300135.db2.gz DNMGJOSDVCSLCJ-UHFFFAOYSA-N 0 0 556.714 3.299 20 0 KGADRN CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000514374512 1059300463 /nfs/dbraw/zinc/30/04/63/1059300463.db2.gz DRGYPBVHGJPFJE-UHFFFAOYSA-N 0 0 516.649 3.275 20 0 KGADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)NC3CCCCC3)n2[C@H](C)COC)c1 ZINC000514374534 1059300441 /nfs/dbraw/zinc/30/04/41/1059300441.db2.gz TZYDUDQIPLRZJD-GOSISDBHSA-N 0 0 566.750 3.434 20 0 KGADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)NC3CCCCC3)n2[C@@H](C)COC)c1 ZINC000514374535 1059300417 /nfs/dbraw/zinc/30/04/17/1059300417.db2.gz TZYDUDQIPLRZJD-SFHVURJKSA-N 0 0 566.750 3.434 20 0 KGADRN COCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCOC)CCCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514374610 1059300612 /nfs/dbraw/zinc/30/06/12/1059300612.db2.gz XWYDXTXAQVKHSC-UHFFFAOYSA-N 0 0 640.788 3.038 20 0 KGADRN C[C@@H]1CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2cccc(Cl)c2)C[C@H](C)O1 ZINC000514374616 1059300638 /nfs/dbraw/zinc/30/06/38/1059300638.db2.gz CYDQQBJSAMLBRV-KDURUIRLSA-N 0 0 592.143 3.337 20 0 KGADRN 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20 0 KGADRN C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000514374643 1059299565 /nfs/dbraw/zinc/29/95/65/1059299565.db2.gz DNHYZURKEANEGV-YLJYHZDGSA-N 0 0 513.595 3.321 20 0 KGADRN CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514374666 1059300178 /nfs/dbraw/zinc/30/01/78/1059300178.db2.gz FPTJFJBTIJMGIF-UHFFFAOYSA-N 0 0 514.652 3.232 20 0 KGADRN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)CC1 ZINC000514374667 1059299974 /nfs/dbraw/zinc/29/99/74/1059299974.db2.gz DUIYCKBQFRWUNI-UHFFFAOYSA-N 0 0 515.617 3.339 20 0 KGADRN Cc1sc2nc(C)nc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)c2c1C ZINC000514374673 1059299949 /nfs/dbraw/zinc/29/99/49/1059299949.db2.gz DXDQPIPRJAJJHY-UHFFFAOYSA-N 0 0 577.754 3.205 20 0 KGADRN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SCC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000514374690 1059300197 /nfs/dbraw/zinc/30/01/97/1059300197.db2.gz FFLNWRVHRAXBNS-UHFFFAOYSA-N 0 0 537.689 3.134 20 0 KGADRN 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COc1cc(CCC2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)CC2)cc(OC)c1 ZINC000514393221 1059483703 /nfs/dbraw/zinc/48/37/03/1059483703.db2.gz SILQSEIHDFXXLD-UHFFFAOYSA-N 0 0 532.659 3.218 20 0 KGADRN CC(C)CCN(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514393230 1059483611 /nfs/dbraw/zinc/48/36/11/1059483611.db2.gz SSVIIMQIYPZWEP-UHFFFAOYSA-N 0 0 541.674 3.349 20 0 KGADRN CN(Cc1nnc2n1CCCCC2)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000514393235 1059481822 /nfs/dbraw/zinc/48/18/22/1059481822.db2.gz TZHDLRUAUYMRJF-UHFFFAOYSA-N 0 0 500.452 3.371 20 0 KGADRN COc1ccc(C(=O)N(C)Cc2nnc3n2CCCCC3)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000514393245 1059481790 /nfs/dbraw/zinc/48/17/90/1059481790.db2.gz UGTTXXVQWVRWFU-UHFFFAOYSA-N 0 0 509.632 3.427 20 0 KGADRN O=C(CSc1nnc(N2CCOCC2)n1C1CC1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000514393247 1059481840 /nfs/dbraw/zinc/48/18/40/1059481840.db2.gz UHLUNLSLURQCRA-UHFFFAOYSA-N 0 0 555.126 3.399 20 0 KGADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)c2)cc1 ZINC000514393256 1059481806 /nfs/dbraw/zinc/48/18/06/1059481806.db2.gz USUJDMAZAXRWGR-UHFFFAOYSA-N 0 0 528.631 3.179 20 0 KGADRN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)CC1 ZINC000514393264 1059481778 /nfs/dbraw/zinc/48/17/78/1059481778.db2.gz UWPAQOXQQNIGBB-UHFFFAOYSA-N 0 0 514.644 3.451 20 0 KGADRN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCn1cnc2sccc2c1=O ZINC000514393265 1059481862 /nfs/dbraw/zinc/48/18/62/1059481862.db2.gz UYMKDBGRRDQPLF-UHFFFAOYSA-N 0 0 504.634 3.449 20 0 KGADRN COc1ccc2cc(CN(C)C(=O)CSc3nnc(N4CCOCC4)n3C[C@H]3CCCO3)ccc2c1 ZINC000514393267 1059482595 /nfs/dbraw/zinc/48/25/95/1059482595.db2.gz VACIUTJMFGLPPT-HSZRJFAPSA-N 0 0 511.648 3.206 20 0 KGADRN COc1ccc2cc(CN(C)C(=O)CSc3nnc(N4CCOCC4)n3C[C@@H]3CCCO3)ccc2c1 ZINC000514393268 1059482578 /nfs/dbraw/zinc/48/25/78/1059482578.db2.gz VACIUTJMFGLPPT-QHCPKHFHSA-N 0 0 511.648 3.206 20 0 KGADRN COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC000514393277 1059482495 /nfs/dbraw/zinc/48/24/95/1059482495.db2.gz VFHOULJVLUVZKV-DYESRHJHSA-N 0 0 521.661 3.344 20 0 KGADRN COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC000514393278 1059482510 /nfs/dbraw/zinc/48/25/10/1059482510.db2.gz VFHOULJVLUVZKV-LAUBAEHRSA-N 0 0 521.661 3.344 20 0 KGADRN COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC000514393279 1059482611 /nfs/dbraw/zinc/48/26/11/1059482611.db2.gz VFHOULJVLUVZKV-UTKZUKDTSA-N 0 0 521.661 3.344 20 0 KGADRN COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000514393280 1059482477 /nfs/dbraw/zinc/48/24/77/1059482477.db2.gz VFHOULJVLUVZKV-UWJYYQICSA-N 0 0 521.661 3.344 20 0 KGADRN O=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000514393305 1059482559 /nfs/dbraw/zinc/48/25/59/1059482559.db2.gz WDATXUKOSHOZFK-UHFFFAOYSA-N 0 0 560.525 3.364 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)c1 ZINC000514393308 1059480026 /nfs/dbraw/zinc/48/00/26/1059480026.db2.gz WHBCHFGFALQDTE-UHFFFAOYSA-N 0 0 543.646 3.184 20 0 KGADRN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000514393316 1059480117 /nfs/dbraw/zinc/48/01/17/1059480117.db2.gz WMWGNJXQJRFUSU-UHFFFAOYSA-N 0 0 551.488 3.114 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)c1 ZINC000514393328 1059480043 /nfs/dbraw/zinc/48/00/43/1059480043.db2.gz WZKHVDJVXDQQJU-HSZRJFAPSA-N 0 0 516.664 3.068 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)c1 ZINC000514393329 1059480061 /nfs/dbraw/zinc/48/00/61/1059480061.db2.gz WZKHVDJVXDQQJU-QHCPKHFHSA-N 0 0 516.664 3.068 20 0 KGADRN COc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)ccc1N1CCCC1=O ZINC000514393336 1059480107 /nfs/dbraw/zinc/48/01/07/1059480107.db2.gz XFUALCLCURGKNK-UHFFFAOYSA-N 0 0 500.621 3.315 20 0 KGADRN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)c(=O)[nH]c1=O ZINC000514393344 1059480812 /nfs/dbraw/zinc/48/08/12/1059480812.db2.gz XJWUEIWMXHFQTM-JOCHJYFZSA-N 0 0 521.618 3.449 20 0 KGADRN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)c(=O)[nH]c1=O ZINC000514393345 1059480723 /nfs/dbraw/zinc/48/07/23/1059480723.db2.gz XJWUEIWMXHFQTM-QFIPXVFZSA-N 0 0 521.618 3.449 20 0 KGADRN CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)sc2c1CCS(=O)(=O)C2 ZINC000514393350 1059480778 /nfs/dbraw/zinc/48/07/78/1059480778.db2.gz XRSINAZAMQYZHF-HOTGVXAUSA-N 0 0 554.712 3.315 20 0 KGADRN CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)sc2c1CCS(=O)(=O)C2 ZINC000514393351 1059480827 /nfs/dbraw/zinc/48/08/27/1059480827.db2.gz XRSINAZAMQYZHF-HZPDHXFCSA-N 0 0 554.712 3.315 20 0 KGADRN CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)sc2c1CCS(=O)(=O)C2 ZINC000514393352 1059480849 /nfs/dbraw/zinc/48/08/49/1059480849.db2.gz XRSINAZAMQYZHF-IYBDPMFKSA-N 0 0 554.712 3.315 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(N3CCCS3(=O)=O)cc1)n2CC ZINC000514393358 1059480734 /nfs/dbraw/zinc/48/07/34/1059480734.db2.gz XTZBQKBQGICKGS-UHFFFAOYSA-N 0 0 547.703 3.198 20 0 KGADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000514393359 1059480796 /nfs/dbraw/zinc/48/07/96/1059480796.db2.gz XWASQDFAGGEOOU-FQEVSTJZSA-N 0 0 519.689 3.141 20 0 KGADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000514393360 1059480714 /nfs/dbraw/zinc/48/07/14/1059480714.db2.gz XWASQDFAGGEOOU-HXUWFJFHSA-N 0 0 519.689 3.141 20 0 KGADRN COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000514393373 1059480754 /nfs/dbraw/zinc/48/07/54/1059480754.db2.gz YHQLUIPEQPCOHF-HDICACEKSA-N 0 0 521.661 3.154 20 0 KGADRN COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000514393374 1059481764 /nfs/dbraw/zinc/48/17/64/1059481764.db2.gz YHQLUIPEQPCOHF-QZTJIDSGSA-N 0 0 521.661 3.154 20 0 KGADRN COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000514393375 1059481832 /nfs/dbraw/zinc/48/18/32/1059481832.db2.gz YHQLUIPEQPCOHF-ROUUACIJSA-N 0 0 521.661 3.154 20 0 KGADRN O=C(CCn1cnc2sccc2c1=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000514393377 1059481749 /nfs/dbraw/zinc/48/17/49/1059481749.db2.gz YKPXEPNSKZLSIZ-UHFFFAOYSA-N 0 0 568.521 3.419 20 0 KGADRN CCCCn1c(N)c(N(CC)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(=O)[nH]c1=O ZINC000514393381 1059504464 /nfs/dbraw/zinc/50/44/64/1059504464.db2.gz YQUHYVCLYKCMFQ-UHFFFAOYSA-N 0 0 509.529 3.255 20 0 KGADRN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000514393393 1059504394 /nfs/dbraw/zinc/50/43/94/1059504394.db2.gz ZFECGGDJXQDBES-UHFFFAOYSA-N 0 0 518.686 3.088 20 0 KGADRN Cc1ccc(-c2cnc(CCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)o2)cc1 ZINC000514393400 1059504453 /nfs/dbraw/zinc/50/44/53/1059504453.db2.gz ZOUVNLQRVPIKNH-UHFFFAOYSA-N 0 0 540.642 3.079 20 0 KGADRN COC(=O)c1cc(NC(=O)CSc2nnc(N3CCC[C@H](C)C3)n2Cc2ccco2)cc(C(=O)OC)c1 ZINC000514393405 1059504505 /nfs/dbraw/zinc/50/45/05/1059504505.db2.gz ZSRQUXOCYKJDDW-INIZCTEOSA-N 0 0 527.603 3.460 20 0 KGADRN COC(=O)c1cc(NC(=O)CSc2nnc(N3CCC[C@@H](C)C3)n2Cc2ccco2)cc(C(=O)OC)c1 ZINC000514393406 1059504432 /nfs/dbraw/zinc/50/44/32/1059504432.db2.gz ZSRQUXOCYKJDDW-MRXNPFEDSA-N 0 0 527.603 3.460 20 0 KGADRN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1 ZINC000514393420 1059504480 /nfs/dbraw/zinc/50/44/80/1059504480.db2.gz AJUPVUZLCIECQI-UHFFFAOYSA-N 0 0 520.681 3.486 20 0 KGADRN CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCC[C@H]2c2cccc(OC)c2)c(=O)[nH]c1=O ZINC000514393421 1059504607 /nfs/dbraw/zinc/50/46/07/1059504607.db2.gz ALHHZYCRQWTOCE-NRFANRHFSA-N 0 0 513.639 3.473 20 0 KGADRN CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCC[C@@H]2c2cccc(OC)c2)c(=O)[nH]c1=O ZINC000514393422 1059504411 /nfs/dbraw/zinc/50/44/11/1059504411.db2.gz ALHHZYCRQWTOCE-OAQYLSRUSA-N 0 0 513.639 3.473 20 0 KGADRN CCCn1c(CCC(=O)Nc2ccc(N3CCCCC3)nc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514393437 1059505203 /nfs/dbraw/zinc/50/52/03/1059505203.db2.gz AVUOLAJWKREPOD-UHFFFAOYSA-N 0 0 540.690 3.424 20 0 KGADRN COc1cc(OC)c(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1Cl ZINC000514393438 1059505092 /nfs/dbraw/zinc/50/50/92/1059505092.db2.gz AVVZIAOSEUZILG-UHFFFAOYSA-N 0 0 528.027 3.216 20 0 KGADRN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(N2CCCC2)n1Cc1ccco1 ZINC000514393448 1059505113 /nfs/dbraw/zinc/50/51/13/1059505113.db2.gz BJEDGJFHJVUEAI-UHFFFAOYSA-N 0 0 590.728 3.059 20 0 KGADRN O=C(CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000514393457 1059503911 /nfs/dbraw/zinc/50/39/11/1059503911.db2.gz BOHAQVGDWADQQD-GOSISDBHSA-N 0 0 501.609 3.066 20 0 KGADRN O=C(CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000514393458 1059503961 /nfs/dbraw/zinc/50/39/61/1059503961.db2.gz BOHAQVGDWADQQD-SFHVURJKSA-N 0 0 501.609 3.066 20 0 KGADRN 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C[C@H]1CCCN(c2nnc(SCC(=O)NCc3ccccc3CN3CCOCC3)n2Cc2ccco2)C1 ZINC000514393501 1059504000 /nfs/dbraw/zinc/50/40/00/1059504000.db2.gz CVUDOHDMLGBHBE-NRFANRHFSA-N 0 0 524.691 3.396 20 0 KGADRN C[C@@H]1CCCN(c2nnc(SCC(=O)NCc3ccccc3CN3CCOCC3)n2Cc2ccco2)C1 ZINC000514393502 1059504552 /nfs/dbraw/zinc/50/45/52/1059504552.db2.gz CVUDOHDMLGBHBE-OAQYLSRUSA-N 0 0 524.691 3.396 20 0 KGADRN CC1CCN(c2nnc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)n2Cc2ccco2)CC1 ZINC000514393525 1059504530 /nfs/dbraw/zinc/50/45/30/1059504530.db2.gz DLWONTLHDKFNIJ-UHFFFAOYSA-N 0 0 512.592 3.367 20 0 KGADRN O=C(NCCc1ccc(Br)s1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000514393538 1059503266 /nfs/dbraw/zinc/50/32/66/1059503266.db2.gz DTWCXYICHSVJLO-UHFFFAOYSA-N 0 0 529.478 3.432 20 0 KGADRN COc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)ccc1N1CCCC1=O ZINC000514393541 1059503483 /nfs/dbraw/zinc/50/34/83/1059503483.db2.gz DUQYTJDWSISVAX-IBGZPJMESA-N 0 0 522.421 3.376 20 0 KGADRN COc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)ccc1N1CCCC1=O 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1059497037 /nfs/dbraw/zinc/49/70/37/1059497037.db2.gz QWOXHHBJUUGSFQ-OALUTQOASA-N 0 0 560.702 3.048 20 0 KGADRN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(N4CCCC4)n3Cc3ccco3)cc2)C[C@@H](C)O1 ZINC000514394142 1059497005 /nfs/dbraw/zinc/49/70/05/1059497005.db2.gz QWOXHHBJUUGSFQ-RTBURBONSA-N 0 0 560.702 3.048 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(-c3nnnn3C3CC3)c1)n2C ZINC000514394143 1059497060 /nfs/dbraw/zinc/49/70/60/1059497060.db2.gz QYKRSIWFRXHYGH-UHFFFAOYSA-N 0 0 522.635 3.164 20 0 KGADRN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 ZINC000514394144 1059496990 /nfs/dbraw/zinc/49/69/90/1059496990.db2.gz QZLUYQDXUSDXDV-KRWDZBQOSA-N 0 0 564.734 3.427 20 0 KGADRN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1 ZINC000514394145 1059497073 /nfs/dbraw/zinc/49/70/73/1059497073.db2.gz QZLUYQDXUSDXDV-QGZVFWFLSA-N 0 0 564.734 3.427 20 0 KGADRN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000514394160 1059497079 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C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000514394962 1059511071 /nfs/dbraw/zinc/51/10/71/1059511071.db2.gz XYUDFANDPLEHCD-MRXNPFEDSA-N 0 0 506.575 3.025 20 0 KGADRN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000514394965 1059510834 /nfs/dbraw/zinc/51/08/34/1059510834.db2.gz YECFCKMUBKGCAV-FQEVSTJZSA-N 0 0 512.657 3.411 20 0 KGADRN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000514394966 1059510913 /nfs/dbraw/zinc/51/09/13/1059510913.db2.gz YECFCKMUBKGCAV-HXUWFJFHSA-N 0 0 512.657 3.411 20 0 KGADRN COc1ccc(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1S(=O)(=O)NC1CCCC1 ZINC000514394968 1059511725 /nfs/dbraw/zinc/51/17/25/1059511725.db2.gz YFLPUTAOHIKGSX-NRFANRHFSA-N 0 0 516.620 3.469 20 0 KGADRN COc1ccc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1S(=O)(=O)NC1CCCC1 ZINC000514394969 1059511740 /nfs/dbraw/zinc/51/17/40/1059511740.db2.gz YFLPUTAOHIKGSX-OAQYLSRUSA-N 0 0 516.620 3.469 20 0 KGADRN CCOC(=O)c1c2c(sc1NC(=O)Cn1ncc(Br)c(Br)c1=O)CCC2 ZINC000514394981 1059511556 /nfs/dbraw/zinc/51/15/56/1059511556.db2.gz ZIYDSKCFASXSSO-UHFFFAOYSA-N 0 0 505.188 3.134 20 0 KGADRN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC ZINC000514394990 1059509975 /nfs/dbraw/zinc/50/99/75/1059509975.db2.gz ZRUWWHLQXIEHSK-NRFANRHFSA-N 0 0 518.632 3.485 20 0 KGADRN COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC ZINC000514394991 1059509878 /nfs/dbraw/zinc/50/98/78/1059509878.db2.gz ZRUWWHLQXIEHSK-OAQYLSRUSA-N 0 0 518.632 3.485 20 0 KGADRN COc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc(OC)c1OC ZINC000514394994 1059509995 /nfs/dbraw/zinc/50/99/95/1059509995.db2.gz ZULVMJHKUCLHHW-AWEZNQCLSA-N 0 0 533.466 3.254 20 0 KGADRN COc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc(OC)c1OC ZINC000514394995 1059509801 /nfs/dbraw/zinc/50/98/01/1059509801.db2.gz ZULVMJHKUCLHHW-CQSZACIVSA-N 0 0 533.466 3.254 20 0 KGADRN CC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2 ZINC000514395005 1059509859 /nfs/dbraw/zinc/50/98/59/1059509859.db2.gz AJANJYHEOAXDQR-MOPGFXCFSA-N 0 0 587.724 3.138 20 0 KGADRN CC[C@H](C)NC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2 ZINC000514395006 1059509896 /nfs/dbraw/zinc/50/98/96/1059509896.db2.gz AJANJYHEOAXDQR-OALUTQOASA-N 0 0 587.724 3.138 20 0 KGADRN CC[C@H](C)NC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2 ZINC000514395007 1059509835 /nfs/dbraw/zinc/50/98/35/1059509835.db2.gz AJANJYHEOAXDQR-RBUKOAKNSA-N 0 0 587.724 3.138 20 0 KGADRN CC[C@@H](C)NC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2 ZINC000514395008 1059509919 /nfs/dbraw/zinc/50/99/19/1059509919.db2.gz AJANJYHEOAXDQR-RTBURBONSA-N 0 0 587.724 3.138 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)n2CC ZINC000514395012 1059510283 /nfs/dbraw/zinc/51/02/83/1059510283.db2.gz AQNNEARLVDTMMG-DLBZAZTESA-N 0 0 567.759 3.092 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)n2CC ZINC000514395013 1059510391 /nfs/dbraw/zinc/51/03/91/1059510391.db2.gz AQNNEARLVDTMMG-IAGOWNOFSA-N 0 0 567.759 3.092 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)n2CC ZINC000514395014 1059510196 /nfs/dbraw/zinc/51/01/96/1059510196.db2.gz AQNNEARLVDTMMG-IRXDYDNUSA-N 0 0 567.759 3.092 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)n2CC ZINC000514395015 1059510218 /nfs/dbraw/zinc/51/02/18/1059510218.db2.gz AQNNEARLVDTMMG-SJORKVTESA-N 0 0 567.759 3.092 20 0 KGADRN CN(C(=O)CSc1nnc(CCC(N)=O)n1C[C@H]1CCCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000514395062 1059508190 /nfs/dbraw/zinc/50/81/90/1059508190.db2.gz BPNDFWCKXZLYJL-BWKNWUBXSA-N 0 0 511.623 3.354 20 0 KGADRN CN(C(=O)CSc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000514395063 1059508906 /nfs/dbraw/zinc/50/89/06/1059508906.db2.gz BPNDFWCKXZLYJL-OFVILXPXSA-N 0 0 511.623 3.354 20 0 KGADRN CN(C(=O)CSc1nnc(CCC(N)=O)n1C[C@H]1CCCO1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000514395064 1059508834 /nfs/dbraw/zinc/50/88/34/1059508834.db2.gz BPNDFWCKXZLYJL-PXDATVDWSA-N 0 0 511.623 3.354 20 0 KGADRN CN(C(=O)CSc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000514395065 1059508874 /nfs/dbraw/zinc/50/88/74/1059508874.db2.gz BPNDFWCKXZLYJL-SQJMNOBHSA-N 0 0 511.623 3.354 20 0 KGADRN COc1ccc([C@@H](CNC(=O)CSc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)c2c[nH]c3ccccc32)cc1 ZINC000514395068 1059508813 /nfs/dbraw/zinc/50/88/13/1059508813.db2.gz BRTLDTWQUVVZHZ-FYYLOGMGSA-N 0 0 562.696 3.405 20 0 KGADRN COc1ccc([C@H](CNC(=O)CSc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)c2c[nH]c3ccccc32)cc1 ZINC000514395069 1059508855 /nfs/dbraw/zinc/50/88/55/1059508855.db2.gz BRTLDTWQUVVZHZ-GGAORHGYSA-N 0 0 562.696 3.405 20 0 KGADRN COc1ccc([C@H](CNC(=O)CSc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)c2c[nH]c3ccccc32)cc1 ZINC000514395070 1059508789 /nfs/dbraw/zinc/50/87/89/1059508789.db2.gz BRTLDTWQUVVZHZ-GMAHTHKFSA-N 0 0 562.696 3.405 20 0 KGADRN COc1ccc([C@@H](CNC(=O)CSc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)c2c[nH]c3ccccc32)cc1 ZINC000514395071 1059508764 /nfs/dbraw/zinc/50/87/64/1059508764.db2.gz BRTLDTWQUVVZHZ-JTHBVZDNSA-N 0 0 562.696 3.405 20 0 KGADRN Cc1cc(Br)c(NC(=O)CSc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)c(Br)c1 ZINC000514395081 1059508922 /nfs/dbraw/zinc/50/89/22/1059508922.db2.gz BUVYSMQCVMEHEO-GFCCVEGCSA-N 0 0 561.300 3.439 20 0 KGADRN Cc1cc(Br)c(NC(=O)CSc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)c(Br)c1 ZINC000514395082 1059508890 /nfs/dbraw/zinc/50/88/90/1059508890.db2.gz BUVYSMQCVMEHEO-LBPRGKRZSA-N 0 0 561.300 3.439 20 0 KGADRN CCCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000514395083 1059508941 /nfs/dbraw/zinc/50/89/41/1059508941.db2.gz BVWKLVMMFNYHSY-MOPGFXCFSA-N 0 0 509.694 3.118 20 0 KGADRN CCCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000514395084 1059509292 /nfs/dbraw/zinc/50/92/92/1059509292.db2.gz BVWKLVMMFNYHSY-OALUTQOASA-N 0 0 509.694 3.118 20 0 KGADRN CCCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000514395085 1059509338 /nfs/dbraw/zinc/50/93/38/1059509338.db2.gz BVWKLVMMFNYHSY-RBUKOAKNSA-N 0 0 509.694 3.118 20 0 KGADRN CCCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000514395086 1059509232 /nfs/dbraw/zinc/50/92/32/1059509232.db2.gz BVWKLVMMFNYHSY-RTBURBONSA-N 0 0 509.694 3.118 20 0 KGADRN CCC(C)(C)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC000514395093 1059509209 /nfs/dbraw/zinc/50/92/09/1059509209.db2.gz CEIZWWRKPSOVQJ-INIZCTEOSA-N 0 0 502.662 3.072 20 0 KGADRN CCC(C)(C)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC000514395094 1059509250 /nfs/dbraw/zinc/50/92/50/1059509250.db2.gz CEIZWWRKPSOVQJ-MRXNPFEDSA-N 0 0 502.662 3.072 20 0 KGADRN C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000514395111 1059509359 /nfs/dbraw/zinc/50/93/59/1059509359.db2.gz CPIJKPPTHZUVOT-CVEARBPZSA-N 0 0 506.650 3.343 20 0 KGADRN C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000514395112 1059509187 /nfs/dbraw/zinc/50/91/87/1059509187.db2.gz CPIJKPPTHZUVOT-HOTGVXAUSA-N 0 0 506.650 3.343 20 0 KGADRN C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000514395113 1059509273 /nfs/dbraw/zinc/50/92/73/1059509273.db2.gz CPIJKPPTHZUVOT-HZPDHXFCSA-N 0 0 506.650 3.343 20 0 KGADRN C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000514395114 1059509380 /nfs/dbraw/zinc/50/93/80/1059509380.db2.gz CPIJKPPTHZUVOT-JKSUJKDBSA-N 0 0 506.650 3.343 20 0 KGADRN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000514395130 1059509314 /nfs/dbraw/zinc/50/93/14/1059509314.db2.gz CUUITXIDLARHPR-JOCHJYFZSA-N 0 0 560.680 3.486 20 0 KGADRN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000514395131 1059509820 /nfs/dbraw/zinc/50/98/20/1059509820.db2.gz CUUITXIDLARHPR-QFIPXVFZSA-N 0 0 560.680 3.486 20 0 KGADRN CCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000514395146 1059507570 /nfs/dbraw/zinc/50/75/70/1059507570.db2.gz DGJSLCKHQWRMCC-CABCVRRESA-N 0 0 504.634 3.223 20 0 KGADRN CCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000514395147 1059507619 /nfs/dbraw/zinc/50/76/19/1059507619.db2.gz DGJSLCKHQWRMCC-GJZGRUSLSA-N 0 0 504.634 3.223 20 0 KGADRN CCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000514395148 1059507680 /nfs/dbraw/zinc/50/76/80/1059507680.db2.gz DGJSLCKHQWRMCC-HUUCEWRRSA-N 0 0 504.634 3.223 20 0 KGADRN CCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000514395149 1059507598 /nfs/dbraw/zinc/50/75/98/1059507598.db2.gz DGJSLCKHQWRMCC-LSDHHAIUSA-N 0 0 504.634 3.223 20 0 KGADRN CCOC(=O)c1sc2nc(CSCCC(=O)NCc3ccc(C(=O)N(C)C)cc3)[nH]c(=O)c2c1C ZINC000514395150 1059507746 /nfs/dbraw/zinc/50/77/46/1059507746.db2.gz DGSYCBLBQAIWGA-UHFFFAOYSA-N 0 0 516.645 3.111 20 0 KGADRN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)C1 ZINC000514395165 1059507704 /nfs/dbraw/zinc/50/77/04/1059507704.db2.gz DQUFGJKQASSFIG-AEFFLSMTSA-N 0 0 524.665 3.049 20 0 KGADRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)C1 ZINC000514395166 1059507659 /nfs/dbraw/zinc/50/76/59/1059507659.db2.gz DQUFGJKQASSFIG-FUHWJXTLSA-N 0 0 524.665 3.049 20 0 KGADRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)C1 ZINC000514395167 1059508277 /nfs/dbraw/zinc/50/82/77/1059508277.db2.gz DQUFGJKQASSFIG-SJLPKXTDSA-N 0 0 524.665 3.049 20 0 KGADRN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)C1 ZINC000514395168 1059508215 /nfs/dbraw/zinc/50/82/15/1059508215.db2.gz DQUFGJKQASSFIG-WMZOPIPTSA-N 0 0 524.665 3.049 20 0 KGADRN O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(NC(=O)NC2CC2)cc1 ZINC000514395169 1059508308 /nfs/dbraw/zinc/50/83/08/1059508308.db2.gz DSPZZYIEVNLQPA-UHFFFAOYSA-N 0 0 502.593 3.219 20 0 KGADRN CCCCSc1nnc(S[C@H](C)C(=O)N(CCOC)c2c(N)n(CCCC)c(=O)[nH]c2=O)s1 ZINC000514395185 1059508170 /nfs/dbraw/zinc/50/81/70/1059508170.db2.gz FEOGJBRPFIWSFV-CYBMUJFWSA-N 0 0 516.715 3.235 20 0 KGADRN CCCCSc1nnc(S[C@@H](C)C(=O)N(CCOC)c2c(N)n(CCCC)c(=O)[nH]c2=O)s1 ZINC000514395186 1059508130 /nfs/dbraw/zinc/50/81/30/1059508130.db2.gz FEOGJBRPFIWSFV-ZDUSSCGKSA-N 0 0 516.715 3.235 20 0 KGADRN CCCN(C(=O)[C@H](C)Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000514395187 1059508149 /nfs/dbraw/zinc/50/81/49/1059508149.db2.gz FFKDCBGOHRDMJM-AZUAARDMSA-N 0 0 543.715 3.167 20 0 KGADRN CCCN(C(=O)[C@H](C)Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000514395188 1059508255 /nfs/dbraw/zinc/50/82/55/1059508255.db2.gz FFKDCBGOHRDMJM-ICSRJNTNSA-N 0 0 543.715 3.167 20 0 KGADRN CCCN(C(=O)[C@@H](C)Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000514395189 1059508241 /nfs/dbraw/zinc/50/82/41/1059508241.db2.gz FFKDCBGOHRDMJM-QUCCMNQESA-N 0 0 543.715 3.167 20 0 KGADRN CCCN(C(=O)[C@@H](C)Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000514395190 1059508334 /nfs/dbraw/zinc/50/83/34/1059508334.db2.gz FFKDCBGOHRDMJM-UYAOXDASSA-N 0 0 543.715 3.167 20 0 KGADRN CCCN(C(=O)[C@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000514395222 1059506518 /nfs/dbraw/zinc/50/65/18/1059506518.db2.gz FWZHRMIEZNEJIQ-BBRMVZONSA-N 0 0 510.041 3.081 20 0 KGADRN CCCN(C(=O)[C@@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000514395223 1059506209 /nfs/dbraw/zinc/50/62/09/1059506209.db2.gz FWZHRMIEZNEJIQ-CJNGLKHVSA-N 0 0 510.041 3.081 20 0 KGADRN CCCN(C(=O)[C@@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000514395224 1059506345 /nfs/dbraw/zinc/50/63/45/1059506345.db2.gz FWZHRMIEZNEJIQ-CZUORRHYSA-N 0 0 510.041 3.081 20 0 KGADRN CCCN(C(=O)[C@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000514395225 1059506564 /nfs/dbraw/zinc/50/65/64/1059506564.db2.gz FWZHRMIEZNEJIQ-XJKSGUPXSA-N 0 0 510.041 3.081 20 0 KGADRN COc1ccc(CN2CCCN(C(=O)CSc3nnc([C@H]4COc5ccccc5O4)n3C)CC2)cc1 ZINC000514395226 1059506447 /nfs/dbraw/zinc/50/64/47/1059506447.db2.gz FXTOEFWVFQMTPU-HSZRJFAPSA-N 0 0 509.632 3.163 20 0 KGADRN COc1ccc(CN2CCCN(C(=O)CSc3nnc([C@@H]4COc5ccccc5O4)n3C)CC2)cc1 ZINC000514395227 1059506279 /nfs/dbraw/zinc/50/62/79/1059506279.db2.gz FXTOEFWVFQMTPU-QHCPKHFHSA-N 0 0 509.632 3.163 20 0 KGADRN COC(=O)CCCCCn1c(=O)c2ccccc2nc1SCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000514395228 1059506420 /nfs/dbraw/zinc/50/64/20/1059506420.db2.gz FYJWUASHKHUVMB-UHFFFAOYSA-N 0 0 566.680 3.011 20 0 KGADRN CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)c(=O)[nH]c1=O ZINC000514395239 1059506394 /nfs/dbraw/zinc/50/63/94/1059506394.db2.gz GEWPNKIIGGTUDD-AWEZNQCLSA-N 0 0 533.680 3.146 20 0 KGADRN CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)c(=O)[nH]c1=O ZINC000514395240 1059507106 /nfs/dbraw/zinc/50/71/06/1059507106.db2.gz GEWPNKIIGGTUDD-CQSZACIVSA-N 0 0 533.680 3.146 20 0 KGADRN COc1cccc(-n2c(S[C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)nc3sc4c(c3c2=O)CCC4)c1 ZINC000514395241 1059507073 /nfs/dbraw/zinc/50/70/73/1059507073.db2.gz GFZJDHBQRLMLCE-CABCVRRESA-N 0 0 512.657 3.149 20 0 KGADRN COc1cccc(-n2c(S[C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)nc3sc4c(c3c2=O)CCC4)c1 ZINC000514395242 1059507139 /nfs/dbraw/zinc/50/71/39/1059507139.db2.gz GFZJDHBQRLMLCE-GJZGRUSLSA-N 0 0 512.657 3.149 20 0 KGADRN COc1cccc(-n2c(S[C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)nc3sc4c(c3c2=O)CCC4)c1 ZINC000514395243 1059507156 /nfs/dbraw/zinc/50/71/56/1059507156.db2.gz GFZJDHBQRLMLCE-HUUCEWRRSA-N 0 0 512.657 3.149 20 0 KGADRN COc1cccc(-n2c(S[C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)nc3sc4c(c3c2=O)CCC4)c1 ZINC000514395244 1059507122 /nfs/dbraw/zinc/50/71/22/1059507122.db2.gz GFZJDHBQRLMLCE-LSDHHAIUSA-N 0 0 512.657 3.149 20 0 KGADRN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000514395247 1059507059 /nfs/dbraw/zinc/50/70/59/1059507059.db2.gz GIFKICXLYQVTKQ-DEOSSOPVSA-N 0 0 514.673 3.437 20 0 KGADRN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000514395248 1059507186 /nfs/dbraw/zinc/50/71/86/1059507186.db2.gz GIFKICXLYQVTKQ-XMMPIXPASA-N 0 0 514.673 3.437 20 0 KGADRN O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000514395249 1059507088 /nfs/dbraw/zinc/50/70/88/1059507088.db2.gz GIIDBMMDLNMGOS-NRFANRHFSA-N 0 0 520.449 3.023 20 0 KGADRN O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000514395250 1059507031 /nfs/dbraw/zinc/50/70/31/1059507031.db2.gz GIIDBMMDLNMGOS-OAQYLSRUSA-N 0 0 520.449 3.023 20 0 KGADRN CC(C)c1noc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)n1 ZINC000514395306 1059505759 /nfs/dbraw/zinc/50/57/59/1059505759.db2.gz HOVCNMNTORJQKG-UHFFFAOYSA-N 0 0 530.632 3.406 20 0 KGADRN Cc1cc(NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)ccc1Br ZINC000514395312 1059505646 /nfs/dbraw/zinc/50/56/46/1059505646.db2.gz HRWMGSAELMLWLT-DOTOQJQBSA-N 0 0 510.458 3.484 20 0 KGADRN Cc1cc(NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)ccc1Br ZINC000514395313 1059505663 /nfs/dbraw/zinc/50/56/63/1059505663.db2.gz HRWMGSAELMLWLT-NVXWUHKLSA-N 0 0 510.458 3.484 20 0 KGADRN Cc1cc(NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)ccc1Br ZINC000514395314 1059505623 /nfs/dbraw/zinc/50/56/23/1059505623.db2.gz HRWMGSAELMLWLT-RDJZCZTQSA-N 0 0 510.458 3.484 20 0 KGADRN Cc1cc(NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)ccc1Br ZINC000514395315 1059505741 /nfs/dbraw/zinc/50/57/41/1059505741.db2.gz HRWMGSAELMLWLT-WBVHZDCISA-N 0 0 510.458 3.484 20 0 KGADRN COc1ccc([C@H](CNC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)N2CCOCC2)cc1OC ZINC000514395374 1059505785 /nfs/dbraw/zinc/50/57/85/1059505785.db2.gz JBWJJLYQMFTWRA-DEOSSOPVSA-N 0 0 571.721 3.316 20 0 KGADRN COc1ccc([C@@H](CNC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)N2CCOCC2)cc1OC ZINC000514395375 1059505830 /nfs/dbraw/zinc/50/58/30/1059505830.db2.gz JBWJJLYQMFTWRA-XMMPIXPASA-N 0 0 571.721 3.316 20 0 KGADRN CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2C)c(=O)[nH]c1=O ZINC000514395390 1059522447 /nfs/dbraw/zinc/52/24/47/1059522447.db2.gz JGOQDIKUPRRBLS-IBGZPJMESA-N 0 0 578.699 3.443 20 0 KGADRN CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2C)c(=O)[nH]c1=O ZINC000514395391 1059522487 /nfs/dbraw/zinc/52/24/87/1059522487.db2.gz JGOQDIKUPRRBLS-LJQANCHMSA-N 0 0 578.699 3.443 20 0 KGADRN O=C(CCSc1nnc(N2CCOCC2)n1C1CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000514395397 1059522404 /nfs/dbraw/zinc/52/24/04/1059522404.db2.gz JIXXYTZOSUYZKF-UHFFFAOYSA-N 0 0 541.099 3.008 20 0 KGADRN CCCn1c(=O)c2cc(Br)ccc2nc1S[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000514395413 1059522303 /nfs/dbraw/zinc/52/23/03/1059522303.db2.gz JTEBYUQTHLHGAX-HNNXBMFYSA-N 0 0 517.453 3.188 20 0 KGADRN CCCn1c(=O)c2cc(Br)ccc2nc1S[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000514395414 1059522383 /nfs/dbraw/zinc/52/23/83/1059522383.db2.gz JTEBYUQTHLHGAX-OAHLLOKOSA-N 0 0 517.453 3.188 20 0 KGADRN NC(=O)CCn1c(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)nnc1-c1cccs1 ZINC000514395484 1059521752 /nfs/dbraw/zinc/52/17/52/1059521752.db2.gz LQZYBHSEJGGRIF-UHFFFAOYSA-N 0 0 524.594 3.342 20 0 KGADRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Sc3nnc(N4CCCCC4)n3Cc3ccco3)CC2)cc1 ZINC000514395485 1059521855 /nfs/dbraw/zinc/52/18/55/1059521855.db2.gz LRYHEYYSVSRMBO-NRFANRHFSA-N 0 0 558.730 3.232 20 0 KGADRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Sc3nnc(N4CCCCC4)n3Cc3ccco3)CC2)cc1 ZINC000514395486 1059522337 /nfs/dbraw/zinc/52/23/37/1059522337.db2.gz LRYHEYYSVSRMBO-OAQYLSRUSA-N 0 0 558.730 3.232 20 0 KGADRN Cc1nc(C)c(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)o2)s1 ZINC000514395487 1059522467 /nfs/dbraw/zinc/52/24/67/1059522467.db2.gz LSNYYLOYYSWUNV-UHFFFAOYSA-N 0 0 514.054 3.089 20 0 KGADRN Cc1nc(SCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)n(C2CCCCC2)c1C ZINC000514395502 1059521349 /nfs/dbraw/zinc/52/13/49/1059521349.db2.gz MBXJAMJPGFUSJJ-UHFFFAOYSA-N 0 0 506.694 3.435 20 0 KGADRN CCn1c(SCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)nnc1-c1ccc(Cl)cc1Cl ZINC000514395515 1059521400 /nfs/dbraw/zinc/52/14/00/1059521400.db2.gz MJUMMNQJNSVFIJ-UHFFFAOYSA-N 0 0 532.461 3.389 20 0 KGADRN Cc1ccc(-n2c(S[C@@H](C)C(=O)NCCc3ccc4c(c3)OCCO4)nnc2N2CCOCC2)cc1 ZINC000514395530 1059521970 /nfs/dbraw/zinc/52/19/70/1059521970.db2.gz MRLQHTVBUFFFEO-IBGZPJMESA-N 0 0 509.632 3.023 20 0 KGADRN Cc1ccc(-n2c(S[C@H](C)C(=O)NCCc3ccc4c(c3)OCCO4)nnc2N2CCOCC2)cc1 ZINC000514395531 1059521813 /nfs/dbraw/zinc/52/18/13/1059521813.db2.gz MRLQHTVBUFFFEO-LJQANCHMSA-N 0 0 509.632 3.023 20 0 KGADRN Cc1ccccc1-n1c(S[C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)nnc1N1CCOCC1 ZINC000514395532 1059521769 /nfs/dbraw/zinc/52/17/69/1059521769.db2.gz MRLYINLIOJKTDF-JOCHJYFZSA-N 0 0 536.702 3.042 20 0 KGADRN Cc1ccccc1-n1c(S[C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)nnc1N1CCOCC1 ZINC000514395533 1059521877 /nfs/dbraw/zinc/52/18/77/1059521877.db2.gz MRLYINLIOJKTDF-QFIPXVFZSA-N 0 0 536.702 3.042 20 0 KGADRN CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000514395534 1059521939 /nfs/dbraw/zinc/52/19/39/1059521939.db2.gz MTORZBVPQFEHLY-UHFFFAOYSA-N 0 0 573.741 3.333 20 0 KGADRN COCCCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2OC)nc2cc(C(=O)OC)ccc2c1=O ZINC000514395567 1059521714 /nfs/dbraw/zinc/52/17/14/1059521714.db2.gz NJTXLFUJOVFAQV-HNNXBMFYSA-N 0 0 515.588 3.356 20 0 KGADRN COCCCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2OC)nc2cc(C(=O)OC)ccc2c1=O ZINC000514395568 1059521926 /nfs/dbraw/zinc/52/19/26/1059521926.db2.gz NJTXLFUJOVFAQV-OAHLLOKOSA-N 0 0 515.588 3.356 20 0 KGADRN CCN1CCc2c(sc3nc(S[C@@H](C)C(=O)N4CCC[C@@H](C(N)=O)C4)n(-c4cccc(OC)c4)c(=O)c23)C1 ZINC000514395576 1059520179 /nfs/dbraw/zinc/52/01/79/1059520179.db2.gz NXSWVVFPKVKOND-DLBZAZTESA-N 0 0 555.726 3.038 20 0 KGADRN CCN1CCc2c(sc3nc(S[C@H](C)C(=O)N4CCC[C@@H](C(N)=O)C4)n(-c4cccc(OC)c4)c(=O)c23)C1 ZINC000514395577 1059519993 /nfs/dbraw/zinc/51/99/93/1059519993.db2.gz NXSWVVFPKVKOND-IAGOWNOFSA-N 0 0 555.726 3.038 20 0 KGADRN CCN1CCc2c(sc3nc(S[C@@H](C)C(=O)N4CCC[C@H](C(N)=O)C4)n(-c4cccc(OC)c4)c(=O)c23)C1 ZINC000514395578 1059520070 /nfs/dbraw/zinc/52/00/70/1059520070.db2.gz NXSWVVFPKVKOND-IRXDYDNUSA-N 0 0 555.726 3.038 20 0 KGADRN CCN1CCc2c(sc3nc(S[C@H](C)C(=O)N4CCC[C@H](C(N)=O)C4)n(-c4cccc(OC)c4)c(=O)c23)C1 ZINC000514395579 1059520239 /nfs/dbraw/zinc/52/02/39/1059520239.db2.gz NXSWVVFPKVKOND-SJORKVTESA-N 0 0 555.726 3.038 20 0 KGADRN Cc1ccc(-c2csc(NC(=O)CSc3nnc(CCC(N)=O)n3C[C@@H]3CCCO3)n2)cc1C ZINC000514395589 1059520647 /nfs/dbraw/zinc/52/06/47/1059520647.db2.gz ODXKYAICWWZNFS-KRWDZBQOSA-N 0 0 500.650 3.346 20 0 KGADRN Cc1ccc(-c2csc(NC(=O)CSc3nnc(CCC(N)=O)n3C[C@H]3CCCO3)n2)cc1C ZINC000514395590 1059520803 /nfs/dbraw/zinc/52/08/03/1059520803.db2.gz ODXKYAICWWZNFS-QGZVFWFLSA-N 0 0 500.650 3.346 20 0 KGADRN COc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)N2CCOCC2)cc1OC ZINC000514395597 1059520873 /nfs/dbraw/zinc/52/08/73/1059520873.db2.gz OGFMQBYSHJGGCS-NFBKMPQASA-N 0 0 596.544 3.057 20 0 KGADRN COc1ccc([C@@H](CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)N2CCOCC2)cc1OC ZINC000514395598 1059520723 /nfs/dbraw/zinc/52/07/23/1059520723.db2.gz OGFMQBYSHJGGCS-NZQKXSOJSA-N 0 0 596.544 3.057 20 0 KGADRN COc1ccc([C@H](CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)N2CCOCC2)cc1OC ZINC000514395599 1059520856 /nfs/dbraw/zinc/52/08/56/1059520856.db2.gz OGFMQBYSHJGGCS-OFNKIYASSA-N 0 0 596.544 3.057 20 0 KGADRN COc1ccc([C@H](CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)N2CCOCC2)cc1OC ZINC000514395600 1059520762 /nfs/dbraw/zinc/52/07/62/1059520762.db2.gz OGFMQBYSHJGGCS-REWPJTCUSA-N 0 0 596.544 3.057 20 0 KGADRN CCCn1c2nc(C(C)C)nc(S[C@@H](C)C(=O)Nc3cc(NC(C)=O)ccc3OC)c2c(=O)n(C)c1=O ZINC000514395612 1059520832 /nfs/dbraw/zinc/52/08/32/1059520832.db2.gz OMSPBKRZBPMGSI-AWEZNQCLSA-N 0 0 528.635 3.110 20 0 KGADRN CCCn1c2nc(C(C)C)nc(S[C@H](C)C(=O)Nc3cc(NC(C)=O)ccc3OC)c2c(=O)n(C)c1=O ZINC000514395613 1059520742 /nfs/dbraw/zinc/52/07/42/1059520742.db2.gz OMSPBKRZBPMGSI-CQSZACIVSA-N 0 0 528.635 3.110 20 0 KGADRN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000514395626 1059521301 /nfs/dbraw/zinc/52/13/01/1059521301.db2.gz OUVXZCICCOTIDD-UHFFFAOYSA-N 0 0 585.752 3.112 20 0 KGADRN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1S[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000514395641 1059521270 /nfs/dbraw/zinc/52/12/70/1059521270.db2.gz PHYVUGBLXLSREJ-INIZCTEOSA-N 0 0 520.702 3.204 20 0 KGADRN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1S[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000514395642 1059521287 /nfs/dbraw/zinc/52/12/87/1059521287.db2.gz PHYVUGBLXLSREJ-MRXNPFEDSA-N 0 0 520.702 3.204 20 0 KGADRN Cn1ccnc1[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1ccccc1 ZINC000514395645 1059519421 /nfs/dbraw/zinc/51/94/21/1059519421.db2.gz PIXRZDQZTIXHCP-AREMUKBSSA-N 0 0 520.659 3.320 20 0 KGADRN Cn1ccnc1[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1ccccc1 ZINC000514395646 1059519977 /nfs/dbraw/zinc/51/99/77/1059519977.db2.gz PIXRZDQZTIXHCP-SANMLTNESA-N 0 0 520.659 3.320 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)n2c1 ZINC000514395647 1059520302 /nfs/dbraw/zinc/52/03/02/1059520302.db2.gz PJITXQGGBYGSOP-HNNXBMFYSA-N 0 0 505.622 3.040 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)n2c1 ZINC000514395648 1059519956 /nfs/dbraw/zinc/51/99/56/1059519956.db2.gz PJITXQGGBYGSOP-OAHLLOKOSA-N 0 0 505.622 3.040 20 0 KGADRN COc1ccc(CN2CCCN(C(=O)CSc3nnc(N4CCOCC4)n3-c3ccc(C)cc3)CC2)cc1 ZINC000514395653 1059520121 /nfs/dbraw/zinc/52/01/21/1059520121.db2.gz PLWHSUAIVSDULR-UHFFFAOYSA-N 0 0 536.702 3.248 20 0 KGADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(NC(=O)NC)c1)n2CC ZINC000514395676 1059519932 /nfs/dbraw/zinc/51/99/32/1059519932.db2.gz QEDMSIMDEIOWHR-UHFFFAOYSA-N 0 0 500.625 3.409 20 0 KGADRN CCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)NC(C1CC1)C1CC1 ZINC000514395688 1059520052 /nfs/dbraw/zinc/52/00/52/1059520052.db2.gz QKHMZNDFRPHQIS-UHFFFAOYSA-N 0 0 506.694 3.254 20 0 KGADRN 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