smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)CC2)cc1 ZINC000005280441 483415164 /nfs/dbraw/zinc/41/51/64/483415164.db2.gz RBMZRHBYSRCHHJ-UHFFFAOYSA-N 0 0 360.370 -0.236 20 10 FBCDRN OC[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccccc2O)[C@H](O)[C@@H]1O ZINC000006095328 484622965 /nfs/dbraw/zinc/62/29/65/484622965.db2.gz URVCVGNFSZHAOA-LSCFUAHRSA-N 0 0 373.369 -0.245 20 10 FBCDRN COC(=O)C[C@H]1C(=O)NCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000007356386 483881423 /nfs/dbraw/zinc/88/14/23/483881423.db2.gz HIJUIJDJMCZICK-HNNXBMFYSA-N 0 0 362.430 -0.268 20 10 FBCDRN COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000007356387 483881419 /nfs/dbraw/zinc/88/14/19/483881419.db2.gz HIJUIJDJMCZICK-OAHLLOKOSA-N 0 0 362.430 -0.268 20 10 FBCDRN CN(C)c1ccc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000015334885 220152431 /nfs/dbraw/zinc/15/24/31/220152431.db2.gz AQEBYBINIOEOMQ-UHFFFAOYSA-N 0 0 352.416 -0.372 20 10 FBCDRN COc1ccc(N2CCN(C(=O)CN3CCN(CCO)CC3)CC2)cc1 ZINC000022862011 483496052 /nfs/dbraw/zinc/49/60/52/483496052.db2.gz UGPXGUURIFLJHJ-UHFFFAOYSA-N 0 0 362.474 -0.046 20 10 FBCDRN CNC(=O)NC(=O)CN(CC(=O)NC(=O)NC)c1ccc2c(c1)CCO2 ZINC000031465930 484398711 /nfs/dbraw/zinc/39/87/11/484398711.db2.gz UMAMOBOBNLGPIP-UHFFFAOYSA-N 0 0 363.374 -0.661 20 10 FBCDRN COc1ccc(N2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)CC2)cc1 ZINC000048074942 483657869 /nfs/dbraw/zinc/65/78/69/483657869.db2.gz BXAKQKXJSJJXFX-UHFFFAOYSA-N 0 0 358.398 -0.096 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)NCC(=O)OC)n2c(NCC)n1 ZINC000049513525 483851363 /nfs/dbraw/zinc/85/13/63/483851363.db2.gz JQLJRIAEKWJROG-UHFFFAOYSA-N 0 0 368.423 -0.236 20 10 FBCDRN COc1ccc(N2CCN(C(=O)CN3CCO[C@H](C(N)=O)C3)CC2)cc1 ZINC000051104570 483663518 /nfs/dbraw/zinc/66/35/18/483663518.db2.gz IRDFQGYYNUNUFB-INIZCTEOSA-N 0 0 362.430 -0.470 20 10 FBCDRN COc1ccc(N2CCN(C(=O)CN3CCO[C@@H](C(N)=O)C3)CC2)cc1 ZINC000051104573 484057887 /nfs/dbraw/zinc/05/78/87/484057887.db2.gz IRDFQGYYNUNUFB-MRXNPFEDSA-N 0 0 362.430 -0.470 20 10 FBCDRN O=C(CN1CCNC(=O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051261170 657448958 /nfs/dbraw/zinc/44/89/58/657448958.db2.gz KSIMJZMUTJPYLN-UHFFFAOYSA-N 0 0 350.394 -0.290 20 10 FBCDRN CNC(=O)CN(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051739691 484060415 /nfs/dbraw/zinc/06/04/15/484060415.db2.gz QXLUHXUUXACMLJ-UHFFFAOYSA-N 0 0 352.410 -0.044 20 10 FBCDRN COCCN1C(=O)C(=CNCCCOC[C@@H]2CCCO2)C(=O)NC1=S ZINC000052536805 484266554 /nfs/dbraw/zinc/26/65/54/484266554.db2.gz XDRFTUAJMRHZFS-IXJPEXDMSA-N 0 0 371.459 -0.065 20 10 FBCDRN COCCN1C(=O)C(=CNCCCOC[C@H]2CCCO2)C(=O)NC1=S ZINC000052536806 484267965 /nfs/dbraw/zinc/26/79/65/484267965.db2.gz XDRFTUAJMRHZFS-YGYTWAPGSA-N 0 0 371.459 -0.065 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000053914768 483668638 /nfs/dbraw/zinc/66/86/38/483668638.db2.gz JMYPEPYFMODDMH-UHFFFAOYSA-N 0 0 357.370 -0.202 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)N[C@@H](C)C(N)=O)n2c(NCC)n1 ZINC000054134388 484418046 /nfs/dbraw/zinc/41/80/46/484418046.db2.gz TZGADHZGMUUDIQ-ZETCQYMHSA-N 0 0 367.439 -0.535 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)N[C@H](C)C(N)=O)n2c(NCC)n1 ZINC000054134390 484418386 /nfs/dbraw/zinc/41/83/86/484418386.db2.gz TZGADHZGMUUDIQ-SSDOTTSWSA-N 0 0 367.439 -0.535 20 10 FBCDRN CS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786015 484423042 /nfs/dbraw/zinc/42/30/42/484423042.db2.gz QVSRUUFWSZSZIN-UHFFFAOYSA-N 0 0 356.448 -0.128 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCC(=O)N2CCOCC2)c1 ZINC000055184448 484424000 /nfs/dbraw/zinc/42/40/00/484424000.db2.gz VUTRJDRAWQEDOK-UHFFFAOYSA-N 0 0 371.415 -0.258 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCS(=O)(=O)CC1)cc2=O ZINC000057846404 221095872 /nfs/dbraw/zinc/09/58/72/221095872.db2.gz DELSLGKDLGIWTD-UHFFFAOYSA-N 0 0 354.388 -0.158 20 10 FBCDRN CC(=O)NCC(=O)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000058967062 484430759 /nfs/dbraw/zinc/43/07/59/484430759.db2.gz APIKZBIFVPNIIO-UHFFFAOYSA-N 0 0 366.393 -0.469 20 10 FBCDRN COc1ccc(N2CCCN(C(=O)CNC(=O)CNC(C)=O)CC2)cc1 ZINC000060397538 484430606 /nfs/dbraw/zinc/43/06/06/484430606.db2.gz RIMWCMNFQUZDEG-UHFFFAOYSA-N 0 0 362.430 -0.014 20 10 FBCDRN COCCN1C(=O)C(=CNCCCN2CCCC2=O)C(=O)NC1=S ZINC000060861212 484432424 /nfs/dbraw/zinc/43/24/24/484432424.db2.gz LXLYXNZMFWMBIL-KHPPLWFESA-N 0 0 354.432 -0.638 20 10 FBCDRN CN1C(=O)C(=CNCCc2ccc(S(N)(=O)=O)cc2)C(=O)N(C)C1=O ZINC000060862090 660109287 /nfs/dbraw/zinc/10/92/87/660109287.db2.gz GHXPPBWMGKKYTG-UHFFFAOYSA-N 0 0 366.399 -0.600 20 10 FBCDRN COCCN1C(=O)C(=CN[C@@H](CC(C)C)C(=O)OC)C(=O)NC1=S ZINC000060864675 484431999 /nfs/dbraw/zinc/43/19/99/484431999.db2.gz BYNFTMDGQWEQEM-IEHMKBBKSA-N 0 0 357.432 -0.063 20 10 FBCDRN COc1cccc(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1O ZINC000068488742 484462912 /nfs/dbraw/zinc/46/29/12/484462912.db2.gz SMBKULOPKWLHEV-UHFFFAOYSA-N 0 0 373.369 -0.536 20 10 FBCDRN CCS(=O)(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000069534721 485013120 /nfs/dbraw/zinc/01/31/20/485013120.db2.gz COWRRCUDNURMFR-UHFFFAOYSA-N 0 0 350.418 -0.072 20 10 FBCDRN Cn1cc(/C=C/C(=O)N2C[C@H](C(N)=O)Cc3ccccc32)c(=O)n(C)c1=O ZINC000075607864 483877688 /nfs/dbraw/zinc/87/76/88/483877688.db2.gz KBOVUNVDHOBZJV-HSBSLETESA-N 0 0 368.393 -0.212 20 10 FBCDRN Cn1cc(/C=C/C(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)c(=O)n(C)c1=O ZINC000075607865 483877744 /nfs/dbraw/zinc/87/77/44/483877744.db2.gz KBOVUNVDHOBZJV-NPQIQWPPSA-N 0 0 368.393 -0.212 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN(C)C[C@H](O)CN2CCOCC2)cc1 ZINC000083245712 483762178 /nfs/dbraw/zinc/76/21/78/483762178.db2.gz MOOXRJCQUUFCHE-SFHVURJKSA-N 0 0 364.490 -0.006 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN(C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000083245713 483762501 /nfs/dbraw/zinc/76/25/01/483762501.db2.gz MOOXRJCQUUFCHE-GOSISDBHSA-N 0 0 364.490 -0.006 20 10 FBCDRN COc1ccc(N2CCN(CC(=O)N3CCNC(=O)C3)CC2)cc1F ZINC000084866369 483766141 /nfs/dbraw/zinc/76/61/41/483766141.db2.gz QXMFDSIRIWAWLP-UHFFFAOYSA-N 0 0 350.394 -0.085 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000108245135 483846828 /nfs/dbraw/zinc/84/68/28/483846828.db2.gz SJWPSYRTTUKHSR-UHFFFAOYSA-N 0 0 357.370 -0.202 20 10 FBCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000115592840 661361271 /nfs/dbraw/zinc/36/12/71/661361271.db2.gz YBWIDANQWQCUIA-UHFFFAOYSA-N 0 0 366.443 -0.063 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116888436 483876284 /nfs/dbraw/zinc/87/62/84/483876284.db2.gz IKTGDWLMZWBIKC-AWEZNQCLSA-N 0 0 354.476 -0.008 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116888437 483876156 /nfs/dbraw/zinc/87/61/56/483876156.db2.gz IKTGDWLMZWBIKC-CQSZACIVSA-N 0 0 354.476 -0.008 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCOCC2)c1 ZINC000138515288 679596586 /nfs/dbraw/zinc/59/65/86/679596586.db2.gz MSWIHLKJLSOSNH-UHFFFAOYSA-N 0 0 358.372 -0.221 20 10 FBCDRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc2c(cc1O)OCO2 ZINC000144906175 484084210 /nfs/dbraw/zinc/08/42/10/484084210.db2.gz PJOMEKQUSIDQEF-LLVKDONJSA-N 0 0 356.400 -0.144 20 10 FBCDRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc2c(cc1O)OCO2 ZINC000144906384 484083874 /nfs/dbraw/zinc/08/38/74/484083874.db2.gz PJOMEKQUSIDQEF-NSHDSACASA-N 0 0 356.400 -0.144 20 10 FBCDRN Cn1cnn(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1=O ZINC000179528056 483457016 /nfs/dbraw/zinc/45/70/16/483457016.db2.gz VOWOJDIKCRCWPM-UHFFFAOYSA-N 0 0 363.393 -0.002 20 10 FBCDRN NC(=O)C1(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000183832041 660293411 /nfs/dbraw/zinc/29/34/11/660293411.db2.gz YNFJUWOGEADRHQ-UHFFFAOYSA-N 0 0 350.394 -0.114 20 10 FBCDRN Cn1cnc2c1c(=O)n(CC(=O)NCCc1ccc(N)cc1)c(=O)n2C ZINC000237819229 483968698 /nfs/dbraw/zinc/96/86/98/483968698.db2.gz PKWNPZILYWRUTE-UHFFFAOYSA-N 0 0 356.386 -0.625 20 10 FBCDRN Cn1c2ncn(CC(=O)NCCc3ccc(N)cc3)c2c(=O)n(C)c1=O ZINC000237840352 483967707 /nfs/dbraw/zinc/96/77/07/483967707.db2.gz YZTSQJPNADAVQK-UHFFFAOYSA-N 0 0 356.386 -0.625 20 10 FBCDRN COc1ccc(N2CCN(C(=O)CNS(=O)(=O)N(C)C)CC2)cc1 ZINC000243184478 660240512 /nfs/dbraw/zinc/24/05/12/660240512.db2.gz JYCLFTARDIUACI-UHFFFAOYSA-N 0 0 356.448 -0.260 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)Nc3nn[nH]n3)n2c(NCC)n1 ZINC000263992889 484315075 /nfs/dbraw/zinc/31/50/75/484315075.db2.gz HBXAPIQVNWLJHT-UHFFFAOYSA-N 0 0 364.399 -0.373 20 10 FBCDRN COc1cccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1O ZINC000264290813 484316577 /nfs/dbraw/zinc/31/65/77/484316577.db2.gz UORIAXSRRKZEBW-UHFFFAOYSA-N 0 0 373.369 -0.536 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCN2C(=O)CNC2=O)c1 ZINC000264534573 484318370 /nfs/dbraw/zinc/31/83/70/484318370.db2.gz YQNXAEBZCAXNMU-UHFFFAOYSA-N 0 0 370.387 -0.565 20 10 FBCDRN COC(=O)CN(CC(=O)N1CCNC(=O)C1)Cc1cc(Cl)ccc1O ZINC000264589529 484322524 /nfs/dbraw/zinc/32/25/24/484322524.db2.gz GCZZPLYKCJSPKL-UHFFFAOYSA-N 0 0 369.805 -0.021 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](O)C[C@H]1C(=O)OC)cc2=O ZINC000264622729 484324291 /nfs/dbraw/zinc/32/42/91/484324291.db2.gz RTISGWQLLIXCEW-PWSUYJOCSA-N 0 0 364.358 -0.280 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(CC(N)=O)CC1)cc2=O ZINC000264653308 484325940 /nfs/dbraw/zinc/32/59/40/484325940.db2.gz XLBVGLARRLKMGL-UHFFFAOYSA-N 0 0 362.390 -0.786 20 10 FBCDRN O=C(CN(CCO)CCCO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000264759659 484333491 /nfs/dbraw/zinc/33/34/91/484333491.db2.gz XUHQGQDDLJIIQE-UHFFFAOYSA-N 0 0 369.437 -0.045 20 10 FBCDRN C[C@H](CS(C)(=O)=O)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000264943785 484343197 /nfs/dbraw/zinc/34/31/97/484343197.db2.gz ASJPJXWZEDPJDF-MRVPVSSYSA-N 0 0 350.418 -0.073 20 10 FBCDRN C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000264943788 484343696 /nfs/dbraw/zinc/34/36/96/484343696.db2.gz ASJPJXWZEDPJDF-QMMMGPOBSA-N 0 0 350.418 -0.073 20 10 FBCDRN CN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)C1=O ZINC000265029944 484348130 /nfs/dbraw/zinc/34/81/30/484348130.db2.gz ORNXCQOFUNBWBA-UHFFFAOYSA-N 0 0 360.370 -0.440 20 10 FBCDRN O=C(NCCN1C(=O)CNC1=O)NCc1ccc(N2CCOCC2)cc1 ZINC000265042729 484351034 /nfs/dbraw/zinc/35/10/34/484351034.db2.gz IOAOLOCMRWKDMQ-UHFFFAOYSA-N 0 0 361.402 -0.126 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2C(=O)CCC2=O)c1 ZINC000265061207 484350133 /nfs/dbraw/zinc/35/01/33/484350133.db2.gz WGWIFULPDQRJJH-UHFFFAOYSA-N 0 0 355.372 -0.358 20 10 FBCDRN COCCN1C(=O)C(=CNNc2nccnc2Cl)C(=O)NC1=S ZINC000265076067 484352229 /nfs/dbraw/zinc/35/22/29/484352229.db2.gz OYYUNHRTDRQRBT-SREVYHEPSA-N 0 0 356.795 -0.180 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2C(=O)CNC2=O)c1 ZINC000265096202 484353567 /nfs/dbraw/zinc/35/35/67/484353567.db2.gz VRWCTLZYXALDGK-UHFFFAOYSA-N 0 0 356.360 -0.955 20 10 FBCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000265205699 484357241 /nfs/dbraw/zinc/35/72/41/484357241.db2.gz CDEFYKNOPMFQDJ-KBPBESRZSA-N 0 0 371.415 -0.112 20 10 FBCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000265205702 484357322 /nfs/dbraw/zinc/35/73/22/484357322.db2.gz CDEFYKNOPMFQDJ-KGLIPLIRSA-N 0 0 371.415 -0.112 20 10 FBCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000265205705 484357066 /nfs/dbraw/zinc/35/70/66/484357066.db2.gz CDEFYKNOPMFQDJ-UONOGXRCSA-N 0 0 371.415 -0.112 20 10 FBCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000265205708 484357703 /nfs/dbraw/zinc/35/77/03/484357703.db2.gz CDEFYKNOPMFQDJ-ZIAGYGMSSA-N 0 0 371.415 -0.112 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)NCCC(N)=O)n2c(NCC)n1 ZINC000266110396 484400168 /nfs/dbraw/zinc/40/01/68/484400168.db2.gz SOSKGXQHLSTHMC-UHFFFAOYSA-N 0 0 367.439 -0.533 20 10 FBCDRN CS(=O)(=O)CCS(=O)(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000266113467 484400664 /nfs/dbraw/zinc/40/06/64/484400664.db2.gz CDWMXHNFMOJFTE-UHFFFAOYSA-N 0 0 362.473 -0.013 20 10 FBCDRN COc1ccc(N2CCN(CCNC(=O)NC(CO)CO)CC2)cc1 ZINC000266696818 484419192 /nfs/dbraw/zinc/41/91/92/484419192.db2.gz FXOAIUZONJQPRD-UHFFFAOYSA-N 0 0 352.435 -0.530 20 10 FBCDRN CN(C)c1ccc2c(c1)OCCN2CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000266871646 484428442 /nfs/dbraw/zinc/42/84/42/484428442.db2.gz QNPBPGFOGKPTIQ-UHFFFAOYSA-N 0 0 373.413 -0.186 20 10 FBCDRN CNC(=O)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000267231163 484443097 /nfs/dbraw/zinc/44/30/97/484443097.db2.gz PMBYSSYSYIDCTH-UHFFFAOYSA-N 0 0 356.404 -0.139 20 10 FBCDRN CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1O ZINC000267353966 484448145 /nfs/dbraw/zinc/44/81/45/484448145.db2.gz GMALUEHJSDFATP-GFCCVEGCSA-N 0 0 355.416 -0.163 20 10 FBCDRN CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccccc1O ZINC000267353969 661628714 /nfs/dbraw/zinc/62/87/14/661628714.db2.gz GMALUEHJSDFATP-LBPRGKRZSA-N 0 0 355.416 -0.163 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000267398425 484450476 /nfs/dbraw/zinc/45/04/76/484450476.db2.gz WSKOUGBJBATVCM-UHFFFAOYSA-N 0 0 354.476 -0.054 20 10 FBCDRN COC(=O)/C=C/c1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000267519872 484455594 /nfs/dbraw/zinc/45/55/94/484455594.db2.gz XIVHDRNZTDSODR-OGOUPESXSA-N 0 0 374.353 -0.072 20 10 FBCDRN COC(=O)/C=C/c1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000267519875 484456387 /nfs/dbraw/zinc/45/63/87/484456387.db2.gz XIVHDRNZTDSODR-PYEVWLCESA-N 0 0 374.353 -0.072 20 10 FBCDRN CNS(=O)(=O)CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000267562828 484458533 /nfs/dbraw/zinc/45/85/33/484458533.db2.gz FSUPHCKHZATQMZ-UHFFFAOYSA-N 0 0 370.475 -0.517 20 10 FBCDRN Cc1ccc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c(O)c1O ZINC000267641583 484464927 /nfs/dbraw/zinc/46/49/27/484464927.db2.gz ZECDQEVDKAGUCW-JTQLQIEISA-N 0 0 356.400 -0.218 20 10 FBCDRN Cc1ccc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c(O)c1O ZINC000267641589 484464765 /nfs/dbraw/zinc/46/47/65/484464765.db2.gz ZECDQEVDKAGUCW-SNVBAGLBSA-N 0 0 356.400 -0.218 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCOC[C@@H]1C(=O)OC)cc2=O ZINC000267791089 484474545 /nfs/dbraw/zinc/47/45/45/484474545.db2.gz JNVCJKFVFUGBEW-GFCCVEGCSA-N 0 0 364.358 -0.015 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCOC[C@H]1C(=O)OC)cc2=O ZINC000267791090 484475042 /nfs/dbraw/zinc/47/50/42/484475042.db2.gz JNVCJKFVFUGBEW-LBPRGKRZSA-N 0 0 364.358 -0.015 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN3C(=O)NC[C@@H]3C1)cc2=O ZINC000267862129 484477380 /nfs/dbraw/zinc/47/73/80/484477380.db2.gz YJFNRMYGOQNOCR-LLVKDONJSA-N 0 0 360.374 -0.179 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN3C(=O)NC[C@H]3C1)cc2=O ZINC000267862134 484476753 /nfs/dbraw/zinc/47/67/53/484476753.db2.gz YJFNRMYGOQNOCR-NSHDSACASA-N 0 0 360.374 -0.179 20 10 FBCDRN COc1ccc(N2CCN(C(=O)CNC(=O)CNC(C)=O)CC2)cc1F ZINC000268014149 484484305 /nfs/dbraw/zinc/48/43/05/484484305.db2.gz VKLJHNHZPDKRGY-UHFFFAOYSA-N 0 0 366.393 -0.265 20 10 FBCDRN Cc1nn(C)c2c1N(C(=O)C1=CC=CN3CCS(=O)(=O)N=C13)CCO2 ZINC000268127262 484490601 /nfs/dbraw/zinc/49/06/01/484490601.db2.gz DPUQUFFQZOWAEY-UHFFFAOYSA-N 0 0 363.399 -0.048 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1 ZINC000268458044 483422357 /nfs/dbraw/zinc/42/23/57/483422357.db2.gz ZJWZQZGEHABODW-BXKDBHETSA-N 0 0 357.388 -0.474 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000268458048 483423059 /nfs/dbraw/zinc/42/30/59/483423059.db2.gz ZJWZQZGEHABODW-CABZTGNLSA-N 0 0 357.388 -0.474 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000268458050 483422537 /nfs/dbraw/zinc/42/25/37/483422537.db2.gz ZJWZQZGEHABODW-JOYOIKCWSA-N 0 0 357.388 -0.474 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000268458052 483423030 /nfs/dbraw/zinc/42/30/30/483423030.db2.gz ZJWZQZGEHABODW-SKDRFNHKSA-N 0 0 357.388 -0.474 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)O[C@@H](C(N)=O)C1)cc2=O ZINC000268487808 483424258 /nfs/dbraw/zinc/42/42/58/483424258.db2.gz UHKFAGZAMJGPEU-BXKDBHETSA-N 0 0 363.374 -0.314 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)O[C@H](C(N)=O)C1)cc2=O ZINC000268487816 483424293 /nfs/dbraw/zinc/42/42/93/483424293.db2.gz UHKFAGZAMJGPEU-SKDRFNHKSA-N 0 0 363.374 -0.314 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)N3CC(O)C3)n2c(NCC)n1 ZINC000268840200 483438629 /nfs/dbraw/zinc/43/86/29/483438629.db2.gz ALUWFAGMILSJSO-UHFFFAOYSA-N 0 0 352.424 -0.322 20 10 FBCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000268976637 483441588 /nfs/dbraw/zinc/44/15/88/483441588.db2.gz CAAKRPHLXKIDMV-INIZCTEOSA-N 0 0 373.457 -0.646 20 10 FBCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000268976641 483441055 /nfs/dbraw/zinc/44/10/55/483441055.db2.gz CAAKRPHLXKIDMV-MRXNPFEDSA-N 0 0 373.457 -0.646 20 10 FBCDRN Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(O)c(O)c1)c(=O)n2C ZINC000269087559 483446360 /nfs/dbraw/zinc/44/63/60/483446360.db2.gz KEPJOUKIXQQXID-UHFFFAOYSA-N 0 0 359.342 -0.839 20 10 FBCDRN Cn1c2ncn(CCC(=O)NCCc3ccc(N)cc3)c2c(=O)n(C)c1=O ZINC000269151727 483449137 /nfs/dbraw/zinc/44/91/37/483449137.db2.gz RTGXWACZMFZHLE-UHFFFAOYSA-N 0 0 370.413 -0.235 20 10 FBCDRN Cn1cnc2c1c(=O)n(CC(=O)NCCc1ccc(O)c(O)c1)c(=O)n2C ZINC000269194140 483450279 /nfs/dbraw/zinc/45/02/79/483450279.db2.gz KUOALHNGYWYHNH-UHFFFAOYSA-N 0 0 373.369 -0.796 20 10 FBCDRN Nc1ccc(CC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000269212370 483451658 /nfs/dbraw/zinc/45/16/58/483451658.db2.gz QXIZVVVXZZDMSD-UHFFFAOYSA-N 0 0 360.414 -0.659 20 10 FBCDRN COc1cccc(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)c1O ZINC000269214315 483451092 /nfs/dbraw/zinc/45/10/92/483451092.db2.gz XJTUXAQDNJTQKV-UHFFFAOYSA-N 0 0 357.432 -0.406 20 10 FBCDRN COc1cccc(CNC(=O)CNS(=O)(=O)c2cn(C)cn2)c1O ZINC000269216558 483451141 /nfs/dbraw/zinc/45/11/41/483451141.db2.gz YKSYQOYCQWZXOQ-UHFFFAOYSA-N 0 0 354.388 -0.271 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN(CCOC)[C@@H](C)C(N)=O)cc2=O ZINC000269473372 483463214 /nfs/dbraw/zinc/46/32/14/483463214.db2.gz UZZXWAJMFHQEOP-JTQLQIEISA-N 0 0 365.390 -0.066 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN(CCOC)[C@H](C)C(N)=O)cc2=O ZINC000269473375 483463367 /nfs/dbraw/zinc/46/33/67/483463367.db2.gz UZZXWAJMFHQEOP-SNVBAGLBSA-N 0 0 365.390 -0.066 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)N[C@@H](C)CO)n2c(NCC)n1 ZINC000269569239 483468395 /nfs/dbraw/zinc/46/83/95/483468395.db2.gz PGBZCCNQTLLDDX-QMMMGPOBSA-N 0 0 354.440 -0.028 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000269645191 483473381 /nfs/dbraw/zinc/47/33/81/483473381.db2.gz TZSSSLSWHCERCE-GFCCVEGCSA-N 0 0 354.432 -0.507 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000269645196 483473846 /nfs/dbraw/zinc/47/38/46/483473846.db2.gz TZSSSLSWHCERCE-LBPRGKRZSA-N 0 0 354.432 -0.507 20 10 FBCDRN CCS(=O)(=O)NCCS(=O)(=O)NCc1cccc(OC)c1O ZINC000269757297 483480119 /nfs/dbraw/zinc/48/01/19/483480119.db2.gz BPWSWDWQLMKYPB-UHFFFAOYSA-N 0 0 352.434 -0.241 20 10 FBCDRN COc1cccc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1O ZINC000269863308 483487152 /nfs/dbraw/zinc/48/71/52/483487152.db2.gz ZMZKBZNXAQRMLO-UHFFFAOYSA-N 0 0 355.372 -0.723 20 10 FBCDRN CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2 ZINC000270369526 483505761 /nfs/dbraw/zinc/50/57/61/483505761.db2.gz TZPSPEDNUIIDHT-JTQLQIEISA-N 0 0 369.399 -0.136 20 10 FBCDRN CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2 ZINC000270369529 483505745 /nfs/dbraw/zinc/50/57/45/483505745.db2.gz TZPSPEDNUIIDHT-SNVBAGLBSA-N 0 0 369.399 -0.136 20 10 FBCDRN O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000270750929 483517954 /nfs/dbraw/zinc/51/79/54/483517954.db2.gz UUVZXVIVQXJSPU-LBPRGKRZSA-N 0 0 350.350 -0.123 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCN2CCNC(=O)C2)c1 ZINC000270823918 483522317 /nfs/dbraw/zinc/52/23/17/483522317.db2.gz ZTXJATCRILUHAX-UHFFFAOYSA-N 0 0 370.431 -0.685 20 10 FBCDRN C[C@H](O)C(=O)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000270837330 483522519 /nfs/dbraw/zinc/52/25/19/483522519.db2.gz FGEIFLIPKDJVGS-JTQLQIEISA-N 0 0 371.415 -0.571 20 10 FBCDRN C[C@@H](O)C(=O)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000270837335 483522181 /nfs/dbraw/zinc/52/21/81/483522181.db2.gz FGEIFLIPKDJVGS-SNVBAGLBSA-N 0 0 371.415 -0.571 20 10 FBCDRN COc1cccc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1O ZINC000271048316 483532210 /nfs/dbraw/zinc/53/22/10/483532210.db2.gz SRJOBJHAVAKHOY-UHFFFAOYSA-N 0 0 363.414 -0.096 20 10 FBCDRN COc1cc([N+](=O)[O-])c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1OC ZINC000271050547 483531869 /nfs/dbraw/zinc/53/18/69/483531869.db2.gz PSSKANYXDAFSLL-SECBINFHSA-N 0 0 350.331 -0.241 20 10 FBCDRN COc1cc([N+](=O)[O-])c(N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1OC ZINC000271050548 483532562 /nfs/dbraw/zinc/53/25/62/483532562.db2.gz PSSKANYXDAFSLL-VIFPVBQESA-N 0 0 350.331 -0.241 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)NC[C@@H](C)O)n2c(NCC)n1 ZINC000271088238 483533734 /nfs/dbraw/zinc/53/37/34/483533734.db2.gz QXYMPMJZJJOTLS-MRVPVSSYSA-N 0 0 354.440 -0.028 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)NC[C@H](C)O)n2c(NCC)n1 ZINC000271088240 483534036 /nfs/dbraw/zinc/53/40/36/483534036.db2.gz QXYMPMJZJJOTLS-QMMMGPOBSA-N 0 0 354.440 -0.028 20 10 FBCDRN COCCN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1=O ZINC000271133750 483535056 /nfs/dbraw/zinc/53/50/56/483535056.db2.gz QDRJWBXBVGRYRY-UHFFFAOYSA-N 0 0 371.415 -0.306 20 10 FBCDRN COC(=O)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)OC ZINC000271188556 483538699 /nfs/dbraw/zinc/53/86/99/483538699.db2.gz FJGCKGHPVHPDFY-JTQLQIEISA-N 0 0 374.371 -0.402 20 10 FBCDRN COC(=O)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)OC ZINC000271188560 483537869 /nfs/dbraw/zinc/53/78/69/483537869.db2.gz FJGCKGHPVHPDFY-SNVBAGLBSA-N 0 0 374.371 -0.402 20 10 FBCDRN COC(=O)[C@H]1COCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000271217728 483538395 /nfs/dbraw/zinc/53/83/95/483538395.db2.gz BSCICBIWZSCNLJ-LLVKDONJSA-N 0 0 358.372 -0.222 20 10 FBCDRN COC(=O)[C@@H]1COCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000271217729 483538042 /nfs/dbraw/zinc/53/80/42/483538042.db2.gz BSCICBIWZSCNLJ-NSHDSACASA-N 0 0 358.372 -0.222 20 10 FBCDRN COCCN(CC(=O)N(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000271284691 483541806 /nfs/dbraw/zinc/54/18/06/483541806.db2.gz OLOSBNADCHMODQ-UHFFFAOYSA-N 0 0 373.431 -0.060 20 10 FBCDRN COC(=O)[C@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCOC1 ZINC000271363874 483544361 /nfs/dbraw/zinc/54/43/61/483544361.db2.gz IMYGBKHINQRVPE-AWEZNQCLSA-N 0 0 358.372 -0.174 20 10 FBCDRN COC(=O)[C@@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCOC1 ZINC000271363875 483545219 /nfs/dbraw/zinc/54/52/19/483545219.db2.gz IMYGBKHINQRVPE-CQSZACIVSA-N 0 0 358.372 -0.174 20 10 FBCDRN COc1ccc(O)c(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000271838181 483564070 /nfs/dbraw/zinc/56/40/70/483564070.db2.gz SISDDEPXJOKIHX-UHFFFAOYSA-N 0 0 363.414 -0.096 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC(=O)N2CCOCC2)c1 ZINC000271998944 483569044 /nfs/dbraw/zinc/56/90/44/483569044.db2.gz GVYMDXFWURKLMV-UHFFFAOYSA-N 0 0 357.388 -0.648 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)Nn3cnnc3)n2c(NCC)n1 ZINC000272210043 483575925 /nfs/dbraw/zinc/57/59/25/483575925.db2.gz ITMBCCWDCHHLBL-UHFFFAOYSA-N 0 0 363.411 -0.163 20 10 FBCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000272293193 483577482 /nfs/dbraw/zinc/57/74/82/483577482.db2.gz HLAMCKQTDICNSG-AWEZNQCLSA-N 0 0 363.414 -0.105 20 10 FBCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000272293196 483576931 /nfs/dbraw/zinc/57/69/31/483576931.db2.gz HLAMCKQTDICNSG-CQSZACIVSA-N 0 0 363.414 -0.105 20 10 FBCDRN Cn1c2ncn(CCC(=O)NCc3ccc(O)c(O)c3)c2c(=O)n(C)c1=O ZINC000272298020 483577472 /nfs/dbraw/zinc/57/74/72/483577472.db2.gz IFEIMDODFWONGT-UHFFFAOYSA-N 0 0 373.369 -0.449 20 10 FBCDRN Cn1cc([C@@H](CO)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1 ZINC000272313126 483578532 /nfs/dbraw/zinc/57/85/32/483578532.db2.gz IKBHIWNIPCJMQQ-GFCCVEGCSA-N 0 0 354.388 -0.039 20 10 FBCDRN Cn1cc([C@H](CO)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1 ZINC000272313130 483578622 /nfs/dbraw/zinc/57/86/22/483578622.db2.gz IKBHIWNIPCJMQQ-LBPRGKRZSA-N 0 0 354.388 -0.039 20 10 FBCDRN COc1ccc(N2CCN(CCNC(=O)Cn3ncn(C)c3=O)CC2)cc1 ZINC000272381596 483579323 /nfs/dbraw/zinc/57/93/23/483579323.db2.gz HTWJGRUHHYPTBZ-UHFFFAOYSA-N 0 0 374.445 -0.471 20 10 FBCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000272402812 483580395 /nfs/dbraw/zinc/58/03/95/483580395.db2.gz IAAASQZLAKXCQI-JOAKQRRISA-N 0 0 368.411 -0.127 20 10 FBCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000272402815 483580765 /nfs/dbraw/zinc/58/07/65/483580765.db2.gz IAAASQZLAKXCQI-TZNOJPMFSA-N 0 0 368.411 -0.127 20 10 FBCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000272467433 483582403 /nfs/dbraw/zinc/58/24/03/483582403.db2.gz PGUZFDVCWHRADW-DUXPYHPUSA-N 0 0 358.358 -0.532 20 10 FBCDRN COCCNC(=O)CN1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000272679856 483591573 /nfs/dbraw/zinc/59/15/73/483591573.db2.gz RYZDIXGIPMGSPJ-UHFFFAOYSA-N 0 0 351.403 -0.073 20 10 FBCDRN Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(O)c1O ZINC000272745023 483595299 /nfs/dbraw/zinc/59/52/99/483595299.db2.gz IYVLRHDBCNZROI-JTQLQIEISA-N 0 0 356.400 -0.171 20 10 FBCDRN Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(O)c1O ZINC000272745031 483595095 /nfs/dbraw/zinc/59/50/95/483595095.db2.gz IYVLRHDBCNZROI-SNVBAGLBSA-N 0 0 356.400 -0.171 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCO[C@@H](C(=O)NC)C1)cc2=O ZINC000272893291 483603191 /nfs/dbraw/zinc/60/31/91/483603191.db2.gz OEKBYTLAEPCDCA-GFCCVEGCSA-N 0 0 363.374 -0.442 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCO[C@H](C(=O)NC)C1)cc2=O ZINC000272893293 483603616 /nfs/dbraw/zinc/60/36/16/483603616.db2.gz OEKBYTLAEPCDCA-LBPRGKRZSA-N 0 0 363.374 -0.442 20 10 FBCDRN O=C(NCCN1CCNC(=O)C1)NCc1ccc(N2CCOCC2)cc1 ZINC000273012549 483608802 /nfs/dbraw/zinc/60/88/02/483608802.db2.gz SIUYVXBTMHXVHN-UHFFFAOYSA-N 0 0 361.446 -0.246 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)N3CC(CO)C3)n2c(NCC)n1 ZINC000273205816 483614184 /nfs/dbraw/zinc/61/41/84/483614184.db2.gz JJNFCHDKXFQWKI-UHFFFAOYSA-N 0 0 366.451 -0.074 20 10 FBCDRN COCCN1C(=O)C(=CNNc2nccnc2OC)C(=O)NC1=S ZINC000273923378 483630095 /nfs/dbraw/zinc/63/00/95/483630095.db2.gz JEDYGJZAXPHZLP-FPLPWBNLSA-N 0 0 352.376 -0.825 20 10 FBCDRN O=C(CN1C[C@@H](O)C[C@H]1CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000274154738 483635485 /nfs/dbraw/zinc/63/54/85/483635485.db2.gz JIJSETQIYDSAOL-GJZGRUSLSA-N 0 0 367.421 -0.294 20 10 FBCDRN O=C(CN1C[C@H](O)C[C@H]1CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000274154742 483635577 /nfs/dbraw/zinc/63/55/77/483635577.db2.gz JIJSETQIYDSAOL-LSDHHAIUSA-N 0 0 367.421 -0.294 20 10 FBCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000274905760 483661707 /nfs/dbraw/zinc/66/17/07/483661707.db2.gz HKOAQUSZCDWJAM-GFCCVEGCSA-N 0 0 371.459 -0.278 20 10 FBCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000274905762 483662075 /nfs/dbraw/zinc/66/20/75/483662075.db2.gz HKOAQUSZCDWJAM-LBPRGKRZSA-N 0 0 371.459 -0.278 20 10 FBCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000274980811 483664497 /nfs/dbraw/zinc/66/44/97/483664497.db2.gz XINYXABTGMAGDJ-JTQLQIEISA-N 0 0 368.415 -0.143 20 10 FBCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000274980812 483664559 /nfs/dbraw/zinc/66/45/59/483664559.db2.gz XINYXABTGMAGDJ-SNVBAGLBSA-N 0 0 368.415 -0.143 20 10 FBCDRN C[C@H](O)CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000275141186 483667289 /nfs/dbraw/zinc/66/72/89/483667289.db2.gz OEGBHBLGPPOZCW-NSHDSACASA-N 0 0 357.432 -0.098 20 10 FBCDRN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000275253735 483669782 /nfs/dbraw/zinc/66/97/82/483669782.db2.gz IVPKSZUJDAWCRI-JOAKQRRISA-N 0 0 355.368 -0.090 20 10 FBCDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000275253738 483670027 /nfs/dbraw/zinc/67/00/27/483670027.db2.gz IVPKSZUJDAWCRI-TZNOJPMFSA-N 0 0 355.368 -0.090 20 10 FBCDRN COc1ccc(N2CCN(C(=O)C(=O)NCC(=O)N(C)C)CC2)cc1F ZINC000275387292 483672296 /nfs/dbraw/zinc/67/22/96/483672296.db2.gz FUGYNTPMXFAZBL-UHFFFAOYSA-N 0 0 366.393 -0.313 20 10 FBCDRN C[C@@H](O)CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000275452641 483674036 /nfs/dbraw/zinc/67/40/36/483674036.db2.gz OEGBHBLGPPOZCW-LLVKDONJSA-N 0 0 357.432 -0.098 20 10 FBCDRN CN(C)C(=O)CNC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000275508865 483674650 /nfs/dbraw/zinc/67/46/50/483674650.db2.gz UQUGVWFDTNZMCS-UHFFFAOYSA-N 0 0 362.430 -0.314 20 10 FBCDRN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000275536599 483675291 /nfs/dbraw/zinc/67/52/91/483675291.db2.gz KRNQVFQMIILAMD-CHWSQXEVSA-N 0 0 372.399 -0.098 20 10 FBCDRN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000275536603 483675084 /nfs/dbraw/zinc/67/50/84/483675084.db2.gz KRNQVFQMIILAMD-OLZOCXBDSA-N 0 0 372.399 -0.098 20 10 FBCDRN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000275536607 483675327 /nfs/dbraw/zinc/67/53/27/483675327.db2.gz KRNQVFQMIILAMD-QWHCGFSZSA-N 0 0 372.399 -0.098 20 10 FBCDRN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000275536610 483675175 /nfs/dbraw/zinc/67/51/75/483675175.db2.gz KRNQVFQMIILAMD-STQMWFEESA-N 0 0 372.399 -0.098 20 10 FBCDRN CN(C)C(=O)CNC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000275628399 483675938 /nfs/dbraw/zinc/67/59/38/483675938.db2.gz NEKZVPHLZLQARB-UHFFFAOYSA-N 0 0 366.393 -0.517 20 10 FBCDRN CNS(=O)(=O)CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000275939603 483676508 /nfs/dbraw/zinc/67/65/08/483676508.db2.gz SKUBEBYXDVNFLM-UHFFFAOYSA-N 0 0 356.448 -0.128 20 10 FBCDRN COc1ccc(O)c(CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 ZINC000276144680 483676846 /nfs/dbraw/zinc/67/68/46/483676846.db2.gz OANIAFSLTIIGNZ-UHFFFAOYSA-N 0 0 361.402 -0.137 20 10 FBCDRN O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1c(F)ccc(O)c1O ZINC000276549739 483677840 /nfs/dbraw/zinc/67/78/40/483677840.db2.gz KEGDITNHCFKTEI-LLVKDONJSA-N 0 0 367.377 -0.100 20 10 FBCDRN O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1c(F)ccc(O)c1O ZINC000276549742 483677423 /nfs/dbraw/zinc/67/74/23/483677423.db2.gz KEGDITNHCFKTEI-NSHDSACASA-N 0 0 367.377 -0.100 20 10 FBCDRN O=C(NC1CC1)C(=O)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276581752 483677976 /nfs/dbraw/zinc/67/79/76/483677976.db2.gz OSFRSRZFCCOZQV-UHFFFAOYSA-N 0 0 351.334 -0.200 20 10 FBCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)C(=O)N1CCS(=O)(=O)CC1 ZINC000276620755 483677616 /nfs/dbraw/zinc/67/76/16/483677616.db2.gz QXIFKBIVXBLKLP-MRVPVSSYSA-N 0 0 360.363 -0.388 20 10 FBCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)C(=O)N1CCS(=O)(=O)CC1 ZINC000276620759 483677664 /nfs/dbraw/zinc/67/76/64/483677664.db2.gz QXIFKBIVXBLKLP-QMMMGPOBSA-N 0 0 360.363 -0.388 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](O)C[C@@H]1C(=O)OC)cc2=O ZINC000276649860 483678011 /nfs/dbraw/zinc/67/80/11/483678011.db2.gz RTISGWQLLIXCEW-CMPLNLGQSA-N 0 0 364.358 -0.280 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](O)C[C@H]1C(=O)OC)cc2=O ZINC000276649864 483677622 /nfs/dbraw/zinc/67/76/22/483677622.db2.gz RTISGWQLLIXCEW-JQWIXIFHSA-N 0 0 364.358 -0.280 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](O)C[C@@H]1C(=O)OC)cc2=O ZINC000276649868 483677964 /nfs/dbraw/zinc/67/79/64/483677964.db2.gz RTISGWQLLIXCEW-ZYHUDNBSSA-N 0 0 364.358 -0.280 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CC(C(N)=O)=NO2)c1 ZINC000276665844 483678414 /nfs/dbraw/zinc/67/84/14/483678414.db2.gz UGIKZBBEAPYEJZ-MRVPVSSYSA-N 0 0 356.360 -0.876 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)c1 ZINC000276665847 483678368 /nfs/dbraw/zinc/67/83/68/483678368.db2.gz UGIKZBBEAPYEJZ-QMMMGPOBSA-N 0 0 356.360 -0.876 20 10 FBCDRN O=C(CN1CCOCC1)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276756325 483678725 /nfs/dbraw/zinc/67/87/25/483678725.db2.gz WQAWDABSAKMTAP-UHFFFAOYSA-N 0 0 367.377 -0.147 20 10 FBCDRN CN(C)C(=O)CNC(=O)C(=O)NCc1cccc(Br)c1O ZINC000277450956 483679387 /nfs/dbraw/zinc/67/93/87/483679387.db2.gz HXCQJDQXQHILNG-UHFFFAOYSA-N 0 0 358.192 -0.025 20 10 FBCDRN O=C(CN1C[C@H](O)[C@@H](O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000278601192 483681531 /nfs/dbraw/zinc/68/15/31/483681531.db2.gz DWLCAIQRRZHHNL-HOTGVXAUSA-N 0 0 353.394 -0.684 20 10 FBCDRN O=C(CN1C[C@@H](O)[C@H](O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000278601197 483681727 /nfs/dbraw/zinc/68/17/27/483681727.db2.gz DWLCAIQRRZHHNL-HZPDHXFCSA-N 0 0 353.394 -0.684 20 10 FBCDRN O=C(CN1C[C@@H](O)[C@@H](O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000278601201 483681265 /nfs/dbraw/zinc/68/12/65/483681265.db2.gz DWLCAIQRRZHHNL-IYBDPMFKSA-N 0 0 353.394 -0.684 20 10 FBCDRN COc1c(O)c(CN2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000278887973 483682681 /nfs/dbraw/zinc/68/26/81/483682681.db2.gz PCWVBLHKTFOGBL-JTQLQIEISA-N 0 0 350.331 -0.548 20 10 FBCDRN COc1c(O)c(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000278887976 483682166 /nfs/dbraw/zinc/68/21/66/483682166.db2.gz PCWVBLHKTFOGBL-SNVBAGLBSA-N 0 0 350.331 -0.548 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC(=O)NCC(F)F)c1 ZINC000280145820 483684630 /nfs/dbraw/zinc/68/46/30/483684630.db2.gz COSOJHZLZUSUJX-UHFFFAOYSA-N 0 0 351.331 -0.125 20 10 FBCDRN CC(=O)N1CCN(c2ccc(CNC(=O)CN3CCOCC3=O)cc2)CC1 ZINC000280517214 483684353 /nfs/dbraw/zinc/68/43/53/483684353.db2.gz QSDGEPBCDGDUIQ-UHFFFAOYSA-N 0 0 374.441 -0.170 20 10 FBCDRN O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc(O)c1O ZINC000280656098 483684722 /nfs/dbraw/zinc/68/47/22/483684722.db2.gz OCQXAUDHRJDWRP-NEPJUHHUSA-N 0 0 356.400 -0.675 20 10 FBCDRN O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(O)c1O ZINC000280656102 483684196 /nfs/dbraw/zinc/68/41/96/483684196.db2.gz OCQXAUDHRJDWRP-NWDGAFQWSA-N 0 0 356.400 -0.675 20 10 FBCDRN O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc(O)c1O ZINC000280656106 483684207 /nfs/dbraw/zinc/68/42/07/483684207.db2.gz OCQXAUDHRJDWRP-RYUDHWBXSA-N 0 0 356.400 -0.675 20 10 FBCDRN O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(O)c1O ZINC000280656111 483684220 /nfs/dbraw/zinc/68/42/20/483684220.db2.gz OCQXAUDHRJDWRP-VXGBXAGGSA-N 0 0 356.400 -0.675 20 10 FBCDRN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)CCOCCOC)cc1 ZINC000281889586 483687179 /nfs/dbraw/zinc/68/71/79/483687179.db2.gz DLYPQNDOUFBWDX-UHFFFAOYSA-N 0 0 367.449 -0.033 20 10 FBCDRN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)N2CCOCC2)cc1 ZINC000282016107 483687231 /nfs/dbraw/zinc/68/72/31/483687231.db2.gz PWGPHXVQJDDJTG-UHFFFAOYSA-N 0 0 350.422 -0.448 20 10 FBCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000282474544 483689130 /nfs/dbraw/zinc/68/91/30/483689130.db2.gz MSVBZLWZUBRIQO-UHFFFAOYSA-N 0 0 374.397 -0.098 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CC(=O)N(CCOC)C1)cc2=O ZINC000282541941 483689285 /nfs/dbraw/zinc/68/92/85/483689285.db2.gz SQNKKRHCFJZDSB-UHFFFAOYSA-N 0 0 363.374 -0.140 20 10 FBCDRN COCCN1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1=O ZINC000282566065 483688706 /nfs/dbraw/zinc/68/87/06/483688706.db2.gz ZALQIWRLDHANAV-UHFFFAOYSA-N 0 0 357.388 -0.348 20 10 FBCDRN COCC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000283374595 483691803 /nfs/dbraw/zinc/69/18/03/483691803.db2.gz GDTZIXGUCOKCKC-UHFFFAOYSA-N 0 0 362.430 -0.314 20 10 FBCDRN CC(=O)NC[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000283438240 483691725 /nfs/dbraw/zinc/69/17/25/483691725.db2.gz JTHJSKBUDGKAQI-INIZCTEOSA-N 0 0 362.430 -0.268 20 10 FBCDRN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000283438242 483691686 /nfs/dbraw/zinc/69/16/86/483691686.db2.gz JTHJSKBUDGKAQI-MRXNPFEDSA-N 0 0 362.430 -0.268 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000283579125 483691347 /nfs/dbraw/zinc/69/13/47/483691347.db2.gz SKBNMKSRLHQRDO-UHFFFAOYSA-N 0 0 368.459 -0.527 20 10 FBCDRN CN(CCOCCO)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000283651923 483692019 /nfs/dbraw/zinc/69/20/19/483692019.db2.gz AUANYRLYRFHXKS-UHFFFAOYSA-N 0 0 365.430 -0.393 20 10 FBCDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000283856126 483692317 /nfs/dbraw/zinc/69/23/17/483692317.db2.gz DOIDIOCFLOGRBS-INIZCTEOSA-N 0 0 374.441 -0.124 20 10 FBCDRN CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000283856129 483692455 /nfs/dbraw/zinc/69/24/55/483692455.db2.gz DOIDIOCFLOGRBS-MRXNPFEDSA-N 0 0 374.441 -0.124 20 10 FBCDRN COCCOCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000283936823 483692358 /nfs/dbraw/zinc/69/23/58/483692358.db2.gz HGGVZGMGTMPXCM-UHFFFAOYSA-N 0 0 365.430 -0.081 20 10 FBCDRN CN1CCCc2cc(CNC(=O)C(=O)NCCS(C)(=O)=O)ccc21 ZINC000283940347 483692590 /nfs/dbraw/zinc/69/25/90/483692590.db2.gz HKRYRHHZNALORP-UHFFFAOYSA-N 0 0 353.444 -0.154 20 10 FBCDRN C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000283950532 483692983 /nfs/dbraw/zinc/69/29/83/483692983.db2.gz HUERZZZSRZKVPY-CYBMUJFWSA-N 0 0 360.414 -0.514 20 10 FBCDRN C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000283950538 483692953 /nfs/dbraw/zinc/69/29/53/483692953.db2.gz HUERZZZSRZKVPY-ZDUSSCGKSA-N 0 0 360.414 -0.514 20 10 FBCDRN CCN1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000283987639 483692810 /nfs/dbraw/zinc/69/28/10/483692810.db2.gz JKEVJVFFWOVCNK-UHFFFAOYSA-N 0 0 374.441 -0.170 20 10 FBCDRN CNC(=O)CCN(C)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000284033245 483692518 /nfs/dbraw/zinc/69/25/18/483692518.db2.gz LSBQPPOIRBWHPD-UHFFFAOYSA-N 0 0 362.430 -0.266 20 10 FBCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCNC(=O)C1 ZINC000284061214 483692570 /nfs/dbraw/zinc/69/25/70/483692570.db2.gz UDTQYJYEULMRMT-UHFFFAOYSA-N 0 0 364.377 -0.763 20 10 FBCDRN C[C@]1(C(N)=O)CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000284095318 483692794 /nfs/dbraw/zinc/69/27/94/483692794.db2.gz PICAEHLBCVFQNM-IBGZPJMESA-N 0 0 374.441 -0.137 20 10 FBCDRN C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000284095323 483692888 /nfs/dbraw/zinc/69/28/88/483692888.db2.gz PICAEHLBCVFQNM-LJQANCHMSA-N 0 0 374.441 -0.137 20 10 FBCDRN CN1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CCC1=O ZINC000284144398 483692512 /nfs/dbraw/zinc/69/25/12/483692512.db2.gz SBJVKOCCKJILLF-HNNXBMFYSA-N 0 0 374.441 -0.124 20 10 FBCDRN CN1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CCC1=O ZINC000284144400 483692951 /nfs/dbraw/zinc/69/29/51/483692951.db2.gz SBJVKOCCKJILLF-OAHLLOKOSA-N 0 0 374.441 -0.124 20 10 FBCDRN C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC(=O)N1C ZINC000284204460 483692963 /nfs/dbraw/zinc/69/29/63/483692963.db2.gz WJHPETHLXHVRAG-AWEZNQCLSA-N 0 0 374.441 -0.172 20 10 FBCDRN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC(=O)N1C ZINC000284204464 483692995 /nfs/dbraw/zinc/69/29/95/483692995.db2.gz WJHPETHLXHVRAG-CQSZACIVSA-N 0 0 374.441 -0.172 20 10 FBCDRN NC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000284309120 483692847 /nfs/dbraw/zinc/69/28/47/483692847.db2.gz VQWYVBVQPPXXLD-HNNXBMFYSA-N 0 0 360.414 -0.384 20 10 FBCDRN NC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000284309124 483692557 /nfs/dbraw/zinc/69/25/57/483692557.db2.gz VQWYVBVQPPXXLD-OAHLLOKOSA-N 0 0 360.414 -0.384 20 10 FBCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC000284316652 483692651 /nfs/dbraw/zinc/69/26/51/483692651.db2.gz WCCZUOWCDOWJJM-HNNXBMFYSA-N 0 0 362.430 -0.138 20 10 FBCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC000284316655 483692670 /nfs/dbraw/zinc/69/26/70/483692670.db2.gz WCCZUOWCDOWJJM-OAHLLOKOSA-N 0 0 362.430 -0.138 20 10 FBCDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 ZINC000285636195 483721574 /nfs/dbraw/zinc/72/15/74/483721574.db2.gz FQJIKTAPEJRXPA-AWEZNQCLSA-N 0 0 366.393 -0.519 20 10 FBCDRN CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 ZINC000285636197 483721557 /nfs/dbraw/zinc/72/15/57/483721557.db2.gz FQJIKTAPEJRXPA-CQSZACIVSA-N 0 0 366.393 -0.519 20 10 FBCDRN CN1CCCc2cc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)ccc21 ZINC000285708219 483722586 /nfs/dbraw/zinc/72/25/86/483722586.db2.gz LZVPQDPIHUTOAY-HNNXBMFYSA-N 0 0 360.414 -0.602 20 10 FBCDRN CN1CCCc2cc(CNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)ccc21 ZINC000285708225 483722899 /nfs/dbraw/zinc/72/28/99/483722899.db2.gz LZVPQDPIHUTOAY-OAHLLOKOSA-N 0 0 360.414 -0.602 20 10 FBCDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000285726868 483722697 /nfs/dbraw/zinc/72/26/97/483722697.db2.gz NVOKAHNFCANPMI-INIZCTEOSA-N 0 0 374.441 -0.341 20 10 FBCDRN CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000285726870 483722769 /nfs/dbraw/zinc/72/27/69/483722769.db2.gz NVOKAHNFCANPMI-MRXNPFEDSA-N 0 0 374.441 -0.341 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1F ZINC000285829617 483724263 /nfs/dbraw/zinc/72/42/63/483724263.db2.gz YNZLLDOWCXSFDJ-CYBMUJFWSA-N 0 0 352.366 -0.779 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1F ZINC000285829620 483724519 /nfs/dbraw/zinc/72/45/19/483724519.db2.gz YNZLLDOWCXSFDJ-ZDUSSCGKSA-N 0 0 352.366 -0.779 20 10 FBCDRN CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1COC[C@H]1O ZINC000285837728 483724349 /nfs/dbraw/zinc/72/43/49/483724349.db2.gz HKWCXEQXPKORRR-IAGOWNOFSA-N 0 0 367.421 -0.030 20 10 FBCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)CCO)CC2)cc1 ZINC000285858629 483725100 /nfs/dbraw/zinc/72/51/00/483725100.db2.gz YQIYOMLXIYAPRG-UHFFFAOYSA-N 0 0 364.446 -0.616 20 10 FBCDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000288520521 483773028 /nfs/dbraw/zinc/77/30/28/483773028.db2.gz KGPHSOLZDCTCCA-INIZCTEOSA-N 0 0 372.425 -0.348 20 10 FBCDRN CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000288520524 483773015 /nfs/dbraw/zinc/77/30/15/483773015.db2.gz KGPHSOLZDCTCCA-MRXNPFEDSA-N 0 0 372.425 -0.348 20 10 FBCDRN NC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000288562897 483773437 /nfs/dbraw/zinc/77/34/37/483773437.db2.gz NFDKSVVQZQNPII-HNNXBMFYSA-N 0 0 358.398 -0.608 20 10 FBCDRN NC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000288562936 483773352 /nfs/dbraw/zinc/77/33/52/483773352.db2.gz NFDKSVVQZQNPII-OAHLLOKOSA-N 0 0 358.398 -0.608 20 10 FBCDRN COc1cc(O)c(CN2CCN(C(=O)Cn3cnnn3)CC2)cc1OC ZINC000289821698 483789667 /nfs/dbraw/zinc/78/96/67/483789667.db2.gz ODZZGTMPNODOME-UHFFFAOYSA-N 0 0 362.390 -0.260 20 10 FBCDRN C[C@H](O)CN(CCO)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000289995933 483791753 /nfs/dbraw/zinc/79/17/53/483791753.db2.gz YQCUSQCHLVJSHM-AWEZNQCLSA-N 0 0 369.437 -0.046 20 10 FBCDRN C[C@@H](O)CN(CCO)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000289995941 483792158 /nfs/dbraw/zinc/79/21/58/483792158.db2.gz YQCUSQCHLVJSHM-CQSZACIVSA-N 0 0 369.437 -0.046 20 10 FBCDRN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)CCC(=O)OC)cc1 ZINC000290489283 484067369 /nfs/dbraw/zinc/06/73/69/484067369.db2.gz JAXWODNNTWJEPG-UHFFFAOYSA-N 0 0 351.406 -0.133 20 10 FBCDRN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000290645680 483799099 /nfs/dbraw/zinc/79/90/99/483799099.db2.gz NBFSWXBIQXMCCQ-GZMMTYOYSA-N 0 0 362.429 -0.073 20 10 FBCDRN COC(=O)c1cnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1 ZINC000295397548 483825150 /nfs/dbraw/zinc/82/51/50/483825150.db2.gz VTQRGQSZWZLLOK-UHFFFAOYSA-N 0 0 370.412 -0.116 20 10 FBCDRN O=C(CN1CCOC[C@@H](O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000295504467 484084171 /nfs/dbraw/zinc/08/41/71/484084171.db2.gz HLTVOKUUMJPGFP-HNNXBMFYSA-N 0 0 367.421 -0.028 20 10 FBCDRN O=C(CN1CCOC[C@H](O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000295504480 484084416 /nfs/dbraw/zinc/08/44/16/484084416.db2.gz HLTVOKUUMJPGFP-OAHLLOKOSA-N 0 0 367.421 -0.028 20 10 FBCDRN CNS(=O)(=O)N1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000295934116 484087439 /nfs/dbraw/zinc/08/74/39/484087439.db2.gz KLSKIVSJCFKYCQ-UHFFFAOYSA-N 0 0 369.491 -0.549 20 10 FBCDRN COc1ccc(N2CCN(CCNC(=O)N[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000297247723 484088569 /nfs/dbraw/zinc/08/85/69/484088569.db2.gz OGRHIWMBIVEWBV-IAGOWNOFSA-N 0 0 364.446 -0.124 20 10 FBCDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000297750102 483836809 /nfs/dbraw/zinc/83/68/09/483836809.db2.gz GWCQCDZXMJLHJY-HNNXBMFYSA-N 0 0 362.430 -0.316 20 10 FBCDRN CNC(=O)[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000297750106 483837053 /nfs/dbraw/zinc/83/70/53/483837053.db2.gz GWCQCDZXMJLHJY-OAHLLOKOSA-N 0 0 362.430 -0.316 20 10 FBCDRN CN(C)c1ccc(CN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)C2CC2)cc1 ZINC000297751800 483836884 /nfs/dbraw/zinc/83/68/84/483836884.db2.gz HSAQYYPKOMKXSV-INIZCTEOSA-N 0 0 374.441 -0.044 20 10 FBCDRN CN(C)c1ccc(CN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)C2CC2)cc1 ZINC000297751804 483836834 /nfs/dbraw/zinc/83/68/34/483836834.db2.gz HSAQYYPKOMKXSV-MRXNPFEDSA-N 0 0 374.441 -0.044 20 10 FBCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)N1CCNC(=O)C1 ZINC000297768356 483505279 /nfs/dbraw/zinc/50/52/79/483505279.db2.gz HCMNVZSYWIJWNM-UHFFFAOYSA-N 0 0 360.414 -0.560 20 10 FBCDRN O=C(C(=O)N1CCNC(=O)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000297773818 483505235 /nfs/dbraw/zinc/50/52/35/483505235.db2.gz HJEYDGVUKRNPFD-AWEZNQCLSA-N 0 0 361.398 -0.142 20 10 FBCDRN O=C(C(=O)N1CCNC(=O)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000297773822 483505383 /nfs/dbraw/zinc/50/53/83/483505383.db2.gz HJEYDGVUKRNPFD-CQSZACIVSA-N 0 0 361.398 -0.142 20 10 FBCDRN C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC(=O)N1 ZINC000297797634 483505274 /nfs/dbraw/zinc/50/52/74/483505274.db2.gz KWWGWLPDJMVIKW-AWEZNQCLSA-N 0 0 374.441 -0.172 20 10 FBCDRN C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC(=O)N1 ZINC000297797637 483505306 /nfs/dbraw/zinc/50/53/06/483505306.db2.gz KWWGWLPDJMVIKW-CQSZACIVSA-N 0 0 374.441 -0.172 20 10 FBCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000297800880 483837975 /nfs/dbraw/zinc/83/79/75/483837975.db2.gz KGJGUEUCHNBCLO-HNNXBMFYSA-N 0 0 362.430 -0.186 20 10 FBCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000297800885 483838104 /nfs/dbraw/zinc/83/81/04/483838104.db2.gz KGJGUEUCHNBCLO-OAHLLOKOSA-N 0 0 362.430 -0.186 20 10 FBCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCN(S(N)(=O)=O)CC2)cc1 ZINC000298059249 483531080 /nfs/dbraw/zinc/53/10/80/483531080.db2.gz DOPHEVILHYKBEF-UHFFFAOYSA-N 0 0 369.491 -0.468 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CCN(S(N)(=O)=O)CC2)cc1 ZINC000298075718 483543478 /nfs/dbraw/zinc/54/34/78/483543478.db2.gz SJBFCQWRHCDLIC-UHFFFAOYSA-N 0 0 355.464 -0.810 20 10 FBCDRN COCCN1C(=O)C(=CNNc2cncc(Cl)n2)C(=O)NC1=S ZINC000298289352 483577810 /nfs/dbraw/zinc/57/78/10/483577810.db2.gz DXMRRIDXYCGPRN-DAXSKMNVSA-N 0 0 356.795 -0.180 20 10 FBCDRN C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298349883 483578744 /nfs/dbraw/zinc/57/87/44/483578744.db2.gz SSAWMZKWFYPGAT-LLVKDONJSA-N 0 0 354.432 -0.224 20 10 FBCDRN C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298349889 483579030 /nfs/dbraw/zinc/57/90/30/483579030.db2.gz SSAWMZKWFYPGAT-NSHDSACASA-N 0 0 354.432 -0.224 20 10 FBCDRN CN(C)c1ccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000298569678 483851153 /nfs/dbraw/zinc/85/11/53/483851153.db2.gz CWZSNPWCFBWAFS-UHFFFAOYSA-N 0 0 372.433 -0.207 20 10 FBCDRN C[C@H]1C(=O)NCCN1C(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000298693053 483587847 /nfs/dbraw/zinc/58/78/47/483587847.db2.gz NFFRTQXLFJZFGS-AWEZNQCLSA-N 0 0 374.441 -0.172 20 10 FBCDRN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000298693058 483587902 /nfs/dbraw/zinc/58/79/02/483587902.db2.gz NFFRTQXLFJZFGS-CQSZACIVSA-N 0 0 374.441 -0.172 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)NCCCO)n2c(NCC)n1 ZINC000298767248 483587865 /nfs/dbraw/zinc/58/78/65/483587865.db2.gz BWFHJXKNMNCBNB-UHFFFAOYSA-N 0 0 354.440 -0.026 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)N(C)CCO)n2c(NCC)n1 ZINC000298785230 483587474 /nfs/dbraw/zinc/58/74/74/483587474.db2.gz NEXVIJWJXFFTPF-UHFFFAOYSA-N 0 0 354.440 -0.074 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)N[C@H](C)CO)n2c(NCC)n1 ZINC000298788895 483587494 /nfs/dbraw/zinc/58/74/94/483587494.db2.gz PGBZCCNQTLLDDX-MRVPVSSYSA-N 0 0 354.440 -0.028 20 10 FBCDRN Cn1c2ncn(CC(=O)NCCc3ccc(O)c(O)c3)c2c(=O)n(C)c1=O ZINC000298808949 483855517 /nfs/dbraw/zinc/85/55/17/483855517.db2.gz WIFSJZOUZKFLJM-UHFFFAOYSA-N 0 0 373.369 -0.796 20 10 FBCDRN NS(=O)(=O)CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000298999395 483599948 /nfs/dbraw/zinc/59/99/48/483599948.db2.gz SUFFORGYFKVDDE-UHFFFAOYSA-N 0 0 360.411 -0.250 20 10 FBCDRN COCC(=O)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000299070725 483601108 /nfs/dbraw/zinc/60/11/08/483601108.db2.gz FYNTUAQPDQYGBN-UHFFFAOYSA-N 0 0 371.415 -0.306 20 10 FBCDRN CC(=O)NCC(=O)NCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000299080182 483860053 /nfs/dbraw/zinc/86/00/53/483860053.db2.gz YDGCEDYAZOKTAQ-UHFFFAOYSA-N 0 0 362.430 -0.266 20 10 FBCDRN CS(=O)(=O)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000299084322 483601345 /nfs/dbraw/zinc/60/13/45/483601345.db2.gz KYDXICWSLIDODR-UHFFFAOYSA-N 0 0 350.418 -0.072 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCS(N)(=O)=O)c1 ZINC000299091595 483601057 /nfs/dbraw/zinc/60/10/57/483601057.db2.gz NOEOMKRSTPIACL-UHFFFAOYSA-N 0 0 351.406 -0.828 20 10 FBCDRN O=C(CN1CCS(=O)(=O)CC1)NCc1ccc(N2CCOCC2)cc1 ZINC000299100601 483601423 /nfs/dbraw/zinc/60/14/23/483601423.db2.gz MNSSNQNSENFYTF-UHFFFAOYSA-N 0 0 367.471 -0.130 20 10 FBCDRN Cn1c(=O)ccn(CC(=O)NCc2ccc(N3CCOCC3)cc2)c1=O ZINC000299105264 483859814 /nfs/dbraw/zinc/85/98/14/483859814.db2.gz NTDOXDURBBCTLM-UHFFFAOYSA-N 0 0 358.398 -0.300 20 10 FBCDRN CS(=O)(=O)NCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000299108892 483602542 /nfs/dbraw/zinc/60/25/42/483602542.db2.gz XEFNHIQPQQSZFA-UHFFFAOYSA-N 0 0 365.433 -0.567 20 10 FBCDRN CCS(=O)(=O)NCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000299109018 483602593 /nfs/dbraw/zinc/60/25/93/483602593.db2.gz XIORWKFVRMVAOD-UHFFFAOYSA-N 0 0 365.433 -0.567 20 10 FBCDRN CCN1CCN(CC(=O)NCc2ccc(N3CCOCC3)cc2)C(=O)C1=O ZINC000299149746 483860324 /nfs/dbraw/zinc/86/03/24/483860324.db2.gz SIVMYFVZROMYES-UHFFFAOYSA-N 0 0 374.441 -0.170 20 10 FBCDRN COCCN1C(=O)C(=CN[C@H](CC(C)C)C(=O)OC)C(=O)NC1=S ZINC000299250652 483607635 /nfs/dbraw/zinc/60/76/35/483607635.db2.gz BYNFTMDGQWEQEM-HIJJYWJESA-N 0 0 357.432 -0.063 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)N(C)CC(N)=O)n2c(NCC)n1 ZINC000299276060 483862512 /nfs/dbraw/zinc/86/25/12/483862512.db2.gz XEZPJEACBTWGLZ-UHFFFAOYSA-N 0 0 367.439 -0.581 20 10 FBCDRN COc1ccc(N2CCN(CCNC(=O)N3CCNC(=O)C3)CC2)cc1 ZINC000299337560 483609927 /nfs/dbraw/zinc/60/99/27/483609927.db2.gz LOAXTMWTBALHKZ-UHFFFAOYSA-N 0 0 361.446 -0.041 20 10 FBCDRN Cn1c2ncn(CCC(=O)NCc3ccccc3O)c2c(=O)n(C)c1=O ZINC000299470068 483864390 /nfs/dbraw/zinc/86/43/90/483864390.db2.gz GAUVWKUMGLQAJU-UHFFFAOYSA-N 0 0 357.370 -0.154 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)NCC(N)=O)n2c(NCC)n1 ZINC000299471690 483864240 /nfs/dbraw/zinc/86/42/40/483864240.db2.gz HDIISFSEPSATTN-UHFFFAOYSA-N 0 0 353.412 -0.924 20 10 FBCDRN CCNc1nc2nnc(SCC(=O)NCC(=O)NC)n2c(NCC)n1 ZINC000299526199 483864634 /nfs/dbraw/zinc/86/46/34/483864634.db2.gz XTTORUJDUULBME-UHFFFAOYSA-N 0 0 367.439 -0.663 20 10 FBCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCN4C(=O)C(=O)NC[C@@H]4C3)cc2N1 ZINC000359864212 484666149 /nfs/dbraw/zinc/66/61/49/484666149.db2.gz AXYNGRWCHKZMLR-MRVPVSSYSA-N 0 0 361.314 -0.927 20 10 FBCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCN4C(=O)C(=O)NC[C@H]4C3)cc2N1 ZINC000359864221 484665918 /nfs/dbraw/zinc/66/59/18/484665918.db2.gz AXYNGRWCHKZMLR-QMMMGPOBSA-N 0 0 361.314 -0.927 20 10 FBCDRN CN1C[C@@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CCN2C1=O ZINC000365915952 483915194 /nfs/dbraw/zinc/91/51/94/483915194.db2.gz QYDILMVPPVLTMS-LLVKDONJSA-N 0 0 368.415 -0.045 20 10 FBCDRN CN1C[C@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CCN2C1=O ZINC000365915953 483914838 /nfs/dbraw/zinc/91/48/38/483914838.db2.gz QYDILMVPPVLTMS-NSHDSACASA-N 0 0 368.415 -0.045 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCn3c(nn(C)c3=O)C1)cc2=O ZINC000367078988 484104567 /nfs/dbraw/zinc/10/45/67/484104567.db2.gz RJOJZTNWEGZCEO-UHFFFAOYSA-N 0 0 373.373 -0.477 20 10 FBCDRN COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)C(C)=O ZINC000367934840 483915561 /nfs/dbraw/zinc/91/55/61/483915561.db2.gz KQTIHPKSDPUTFO-UHFFFAOYSA-N 0 0 364.339 -0.489 20 10 FBCDRN Cc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(O)c1O ZINC000367999399 483916601 /nfs/dbraw/zinc/91/66/01/483916601.db2.gz JUDXWFGXIQCMPD-CHWSQXEVSA-N 0 0 370.427 -0.366 20 10 FBCDRN Cc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(O)c1O ZINC000367999400 483916513 /nfs/dbraw/zinc/91/65/13/483916513.db2.gz JUDXWFGXIQCMPD-OLZOCXBDSA-N 0 0 370.427 -0.366 20 10 FBCDRN Cc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(O)c1O ZINC000367999401 483916348 /nfs/dbraw/zinc/91/63/48/483916348.db2.gz JUDXWFGXIQCMPD-QWHCGFSZSA-N 0 0 370.427 -0.366 20 10 FBCDRN Cc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(O)c1O ZINC000367999402 483916505 /nfs/dbraw/zinc/91/65/05/483916505.db2.gz JUDXWFGXIQCMPD-STQMWFEESA-N 0 0 370.427 -0.366 20 10 FBCDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cccc(O)c1O)C2 ZINC000368952236 483926493 /nfs/dbraw/zinc/92/64/93/483926493.db2.gz UNOZTYYQUDGPJH-UHFFFAOYSA-N 0 0 361.358 -0.800 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CCCN(S(N)(=O)=O)CC2)cc1 ZINC000369186580 483938016 /nfs/dbraw/zinc/93/80/16/483938016.db2.gz DDEXNIUJMASWTR-UHFFFAOYSA-N 0 0 369.491 -0.420 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CCN3C(=O)N(C)C(=O)[C@@H]3C2)cc1 ZINC000369474489 483964204 /nfs/dbraw/zinc/96/42/04/483964204.db2.gz ZDJHIPOUWUQXST-HNNXBMFYSA-N 0 0 359.430 -0.053 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CCN3C(=O)N(C)C(=O)[C@H]3C2)cc1 ZINC000369474490 483962843 /nfs/dbraw/zinc/96/28/43/483962843.db2.gz ZDJHIPOUWUQXST-OAHLLOKOSA-N 0 0 359.430 -0.053 20 10 FBCDRN COc1cccc(CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1O ZINC000370003366 483995422 /nfs/dbraw/zinc/99/54/22/483995422.db2.gz AGYNJJOATUZFTG-UHFFFAOYSA-N 0 0 361.402 -0.137 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000371864378 484108484 /nfs/dbraw/zinc/10/84/84/484108484.db2.gz LHHAXIVRJFBBLJ-GFCCVEGCSA-N 0 0 355.416 -0.080 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000371864386 484108282 /nfs/dbraw/zinc/10/82/82/484108282.db2.gz LHHAXIVRJFBBLJ-LBPRGKRZSA-N 0 0 355.416 -0.080 20 10 FBCDRN CN1CCc2cc(CNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)ccc21 ZINC000372581237 484153427 /nfs/dbraw/zinc/15/34/27/484153427.db2.gz CCTONLJEPOFJIB-UHFFFAOYSA-N 0 0 364.427 -0.445 20 10 FBCDRN COc1ccc(N2CCCN(C(=O)C(=O)NCC(=O)N(C)C)CC2)cc1 ZINC000372905686 484181409 /nfs/dbraw/zinc/18/14/09/484181409.db2.gz QHBPVAFCRWBRNR-UHFFFAOYSA-N 0 0 362.430 -0.062 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000374206930 484249366 /nfs/dbraw/zinc/24/93/66/484249366.db2.gz GREPNXZFGKMQEG-HNNXBMFYSA-N 0 0 359.430 -0.989 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000374206932 484250019 /nfs/dbraw/zinc/25/00/19/484250019.db2.gz GREPNXZFGKMQEG-OAHLLOKOSA-N 0 0 359.430 -0.989 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@]2(C(N)=O)CCCOC2)c1 ZINC000376805809 484374895 /nfs/dbraw/zinc/37/48/95/484374895.db2.gz FQEHPRWFUMQFFT-AWEZNQCLSA-N 0 0 357.388 -0.472 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@]2(C(N)=O)CCCOC2)c1 ZINC000376805816 484374411 /nfs/dbraw/zinc/37/44/11/484374411.db2.gz FQEHPRWFUMQFFT-CQSZACIVSA-N 0 0 357.388 -0.472 20 10 FBCDRN CNS(=O)(=O)C1=CC(C(=O)Nc2n[nH]c(-c3ccncc3)n2)=S=C1 ZINC000433088708 483968405 /nfs/dbraw/zinc/96/84/05/483968405.db2.gz MNLDEIZYMRACFP-UHFFFAOYSA-N 0 0 364.412 -0.040 20 10 FBCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C(N)=O)C(N)=O)C1 ZINC000435915487 484065893 /nfs/dbraw/zinc/06/58/93/484065893.db2.gz RASKPJYYNNZQDX-UHFFFAOYSA-N 0 0 371.441 -0.137 20 10 FBCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000567137399 485243042 /nfs/dbraw/zinc/24/30/42/485243042.db2.gz IENGWMMBFBHLCH-HNNXBMFYSA-N 0 0 358.398 -0.184 20 10 FBCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000567137400 485242990 /nfs/dbraw/zinc/24/29/90/485242990.db2.gz IENGWMMBFBHLCH-OAHLLOKOSA-N 0 0 358.398 -0.184 20 10 FBCDRN CCOC(=O)C1=S=C(NC(=O)C(=O)Nc2ccnn2CCO)C=C1C ZINC000570694599 484229431 /nfs/dbraw/zinc/22/94/31/484229431.db2.gz QGZMCVBNGXNUKE-UHFFFAOYSA-N 0 0 366.399 -0.511 20 10 FBCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC(C(N)=O)C(N)=O)CCCC1 ZINC000649848500 485253381 /nfs/dbraw/zinc/25/33/81/485253381.db2.gz SODUXFJFSYAHSF-UHFFFAOYSA-N 0 0 358.398 -0.016 20 10 FBCDRN COCCS(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000726975843 658999133 /nfs/dbraw/zinc/99/91/33/658999133.db2.gz FNWFPNXBVFMTCZ-UHFFFAOYSA-N 0 0 362.473 -0.013 20 10 FBCDRN Cc1ccc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)c(O)c1O ZINC000727003724 659003062 /nfs/dbraw/zinc/00/30/62/659003062.db2.gz DDKDXXVRSGXLHX-UHFFFAOYSA-N 0 0 374.415 -0.039 20 10 FBCDRN COc1ccc(N2CCN(CCNC(=S)NCC(N)=O)CC2)cc1 ZINC000727083467 659018826 /nfs/dbraw/zinc/01/88/26/659018826.db2.gz BXQGJSNAJPXNBO-UHFFFAOYSA-N 0 0 351.476 -0.233 20 10 FBCDRN CS(=O)(=O)N1CCN(CCNC(=O)NCc2ccccc2O)CC1 ZINC000727240581 659022954 /nfs/dbraw/zinc/02/29/54/659022954.db2.gz RAPYVCXIHBBZMF-UHFFFAOYSA-N 0 0 356.448 -0.231 20 10 FBCDRN COC(=O)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1 ZINC000728610117 659875490 /nfs/dbraw/zinc/87/54/90/659875490.db2.gz VDIKRLNTCOIRGX-GFCCVEGCSA-N 0 0 358.372 -0.222 20 10 FBCDRN COC(=O)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1 ZINC000728610118 659875188 /nfs/dbraw/zinc/87/51/88/659875188.db2.gz VDIKRLNTCOIRGX-LBPRGKRZSA-N 0 0 358.372 -0.222 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(CC(N)=O)CC2)c1 ZINC000729526483 659966583 /nfs/dbraw/zinc/96/65/83/659966583.db2.gz DFOZZSIKHJKBEV-UHFFFAOYSA-N 0 0 356.404 -0.993 20 10 FBCDRN COc1cccc(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)c1O ZINC000729859820 659970275 /nfs/dbraw/zinc/97/02/75/659970275.db2.gz XAQJSXGOAIWNDD-UHFFFAOYSA-N 0 0 354.388 -0.271 20 10 FBCDRN COc1cccc(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)c1O ZINC000729859825 659970312 /nfs/dbraw/zinc/97/03/12/659970312.db2.gz XHQHMHUQKPLIRT-UHFFFAOYSA-N 0 0 354.388 -0.049 20 10 FBCDRN CS(=O)(=O)NCCOC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000730602212 660137316 /nfs/dbraw/zinc/13/73/16/660137316.db2.gz FNQBDMBOUDWJOL-UHFFFAOYSA-N 0 0 352.390 -0.530 20 10 FBCDRN O=C1COc2cc([N+](=O)[O-])c(NC=C3C(=O)NC(=S)NC3=O)cc2N1 ZINC000730996651 662208268 /nfs/dbraw/zinc/20/82/68/662208268.db2.gz VFLUTBLJXHNXGA-UHFFFAOYSA-N 0 0 363.311 -0.248 20 10 FBCDRN CCS(=O)(=O)NCCOC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000731715853 660148688 /nfs/dbraw/zinc/14/86/88/660148688.db2.gz PKPTYWDLFPVUSN-UHFFFAOYSA-N 0 0 366.417 -0.140 20 10 FBCDRN CCNS(=O)(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000731835304 660150052 /nfs/dbraw/zinc/15/00/52/660150052.db2.gz YIBZLCBPXJGIEI-UHFFFAOYSA-N 0 0 365.433 -0.567 20 10 FBCDRN O=C(C(=O)N1CCN(C(=O)C2=CC(=O)CS2)CC1)N1CCOCC1 ZINC000731866771 660150635 /nfs/dbraw/zinc/15/06/35/660150635.db2.gz ZTNXQIVZKAUVPG-UHFFFAOYSA-N 0 0 353.400 -0.403 20 10 FBCDRN O=C(C1=CC(=O)CS1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000732267789 660155371 /nfs/dbraw/zinc/15/53/71/660155371.db2.gz WIVKUTZIBUDYLM-UHFFFAOYSA-N 0 0 361.445 -0.212 20 10 FBCDRN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732274274 660155448 /nfs/dbraw/zinc/15/54/48/660155448.db2.gz QFTSWACOQQTXRV-UHFFFAOYSA-N 0 0 351.384 -0.113 20 10 FBCDRN O=C(CN1CC(=O)NC1=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732274567 660155364 /nfs/dbraw/zinc/15/53/64/660155364.db2.gz RMIZJBCYXZZESH-UHFFFAOYSA-N 0 0 350.350 -0.170 20 10 FBCDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)C2=CC(=O)CS2)CC1 ZINC000732354349 660155837 /nfs/dbraw/zinc/15/58/37/660155837.db2.gz SNJNICJIAPKSRK-UHFFFAOYSA-N 0 0 355.416 -0.157 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCCN2C(=O)CNC2=O)c1 ZINC000733464665 660359549 /nfs/dbraw/zinc/35/95/49/660359549.db2.gz QNUQPWSDDBNYKS-UHFFFAOYSA-N 0 0 371.371 -0.138 20 10 FBCDRN COc1ccc(O)c(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)c1 ZINC000734018394 660364940 /nfs/dbraw/zinc/36/49/40/660364940.db2.gz PDIFAGRGMUDZQU-UHFFFAOYSA-N 0 0 354.388 -0.271 20 10 FBCDRN COc1ccc(O)c(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)c1 ZINC000734019106 660364980 /nfs/dbraw/zinc/36/49/80/660364980.db2.gz XFUWQJKPOXXJMD-UHFFFAOYSA-N 0 0 354.388 -0.049 20 10 FBCDRN COc1ccc(O)c(CNC(=O)NCCS(=O)(=O)N2CCOCC2)c1 ZINC000734070326 660365486 /nfs/dbraw/zinc/36/54/86/660365486.db2.gz ZTSRHZLGDQFBHC-UHFFFAOYSA-N 0 0 373.431 -0.138 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)NC1CC1 ZINC000734422552 660367241 /nfs/dbraw/zinc/36/72/41/660367241.db2.gz CAOHRQHXWYVXSN-UHFFFAOYSA-N 0 0 351.428 -0.184 20 10 FBCDRN CN1C(=O)C(=Cc2cnc3ccc(-c4nn[nH]n4)cn23)C(=O)N(C)C1=O ZINC000736844647 599458506 /nfs/dbraw/zinc/45/85/06/599458506.db2.gz WQASFYDAUCFASG-UHFFFAOYSA-N 0 0 352.314 -0.052 20 10 FBCDRN O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CC(=O)Nc2cnccc21 ZINC000742224843 660567096 /nfs/dbraw/zinc/56/70/96/660567096.db2.gz JMDONHLEJAFTOJ-UHFFFAOYSA-N 0 0 359.367 -0.136 20 10 FBCDRN COc1ccc(N2CCN(CCNC(=O)CS(C)(=O)=O)CC2)cc1 ZINC000742916523 660571948 /nfs/dbraw/zinc/57/19/48/660571948.db2.gz KZKIXHBLYKJPOV-UHFFFAOYSA-N 0 0 355.460 -0.022 20 10 FBCDRN Cn1cc([C@H](O)CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1 ZINC000743648723 660574801 /nfs/dbraw/zinc/57/48/01/660574801.db2.gz OZTUCCCZFGYUEI-CYBMUJFWSA-N 0 0 354.388 -0.039 20 10 FBCDRN Cn1cc([C@@H](O)CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1 ZINC000743648725 660574787 /nfs/dbraw/zinc/57/47/87/660574787.db2.gz OZTUCCCZFGYUEI-ZDUSSCGKSA-N 0 0 354.388 -0.039 20 10 FBCDRN O=C(CN(CCO)CCO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000743846656 660575372 /nfs/dbraw/zinc/57/53/72/660575372.db2.gz TWTFVPFSCJAZFB-UHFFFAOYSA-N 0 0 355.410 -0.435 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCCS(N)(=O)=O)c1 ZINC000744854301 660580939 /nfs/dbraw/zinc/58/09/39/660580939.db2.gz HXGFBQLZUXQPCR-UHFFFAOYSA-N 0 0 352.390 -0.401 20 10 FBCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC(CO)CO)cc2)C1 ZINC000745691860 660585549 /nfs/dbraw/zinc/58/55/49/660585549.db2.gz PGCFFZHOAPQALA-CYBMUJFWSA-N 0 0 350.419 -0.459 20 10 FBCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC(CO)CO)cc2)C1 ZINC000745691861 660585578 /nfs/dbraw/zinc/58/55/78/660585578.db2.gz PGCFFZHOAPQALA-ZDUSSCGKSA-N 0 0 350.419 -0.459 20 10 FBCDRN COc1cccc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)c1O ZINC000745789358 660586430 /nfs/dbraw/zinc/58/64/30/660586430.db2.gz JFDLKBYYUFKZHH-UHFFFAOYSA-N 0 0 373.431 -0.138 20 10 FBCDRN CN1CCO[C@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000746136273 660588589 /nfs/dbraw/zinc/58/85/89/660588589.db2.gz KRABBHUOGJMBMZ-INIZCTEOSA-N 0 0 367.471 -0.132 20 10 FBCDRN CN1CCO[C@@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000746136274 660588584 /nfs/dbraw/zinc/58/85/84/660588584.db2.gz KRABBHUOGJMBMZ-MRXNPFEDSA-N 0 0 367.471 -0.132 20 10 FBCDRN Nc1ccc(CC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000746410475 660591092 /nfs/dbraw/zinc/59/10/92/660591092.db2.gz FQLPVJIUHCTAML-UHFFFAOYSA-N 0 0 368.459 -0.468 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000748027962 660600826 /nfs/dbraw/zinc/60/08/26/660600826.db2.gz VBLODTXAUYRWMP-UHFFFAOYSA-N 0 0 366.399 -0.244 20 10 FBCDRN COCCCNC(=O)CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000748843485 660607237 /nfs/dbraw/zinc/60/72/37/660607237.db2.gz LPLYLZZUOARTBH-UHFFFAOYSA-N 0 0 373.431 -0.012 20 10 FBCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000751319321 660629204 /nfs/dbraw/zinc/62/92/04/660629204.db2.gz VPTQDDLCHIZTNQ-SECBINFHSA-N 0 0 369.399 -0.162 20 10 FBCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000751319348 660629219 /nfs/dbraw/zinc/62/92/19/660629219.db2.gz VPTQDDLCHIZTNQ-VIFPVBQESA-N 0 0 369.399 -0.162 20 10 FBCDRN COc1ccc(O)c(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000751415118 660630335 /nfs/dbraw/zinc/63/03/35/660630335.db2.gz KTXNVQUYLWCNIP-UHFFFAOYSA-N 0 0 355.372 -0.723 20 10 FBCDRN CCS(=O)(=O)NCCS(=O)(=O)NCc1cc(OC)ccc1O ZINC000751415841 660630278 /nfs/dbraw/zinc/63/02/78/660630278.db2.gz ZOPSGVHTPDDLBF-UHFFFAOYSA-N 0 0 352.434 -0.241 20 10 FBCDRN CNS(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000751564114 660632856 /nfs/dbraw/zinc/63/28/56/660632856.db2.gz VOKBUGVSMLUTKZ-CYBMUJFWSA-N 0 0 368.459 -0.446 20 10 FBCDRN CNS(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000751564120 660632742 /nfs/dbraw/zinc/63/27/42/660632742.db2.gz VOKBUGVSMLUTKZ-ZDUSSCGKSA-N 0 0 368.459 -0.446 20 10 FBCDRN CNS(=O)(=O)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000751584956 660633640 /nfs/dbraw/zinc/63/36/40/660633640.db2.gz FPNZDUOHWJBACA-UHFFFAOYSA-N 0 0 359.423 -0.048 20 10 FBCDRN CN(C)C(=O)COC1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000752821612 660644116 /nfs/dbraw/zinc/64/41/16/660644116.db2.gz YAPKBVXNOAECQV-UHFFFAOYSA-N 0 0 371.415 -0.307 20 10 FBCDRN C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)S(C)(=O)=O ZINC000754508071 660658438 /nfs/dbraw/zinc/65/84/38/660658438.db2.gz QELLSNMBRNHRSZ-MRVPVSSYSA-N 0 0 350.418 -0.073 20 10 FBCDRN C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)S(C)(=O)=O ZINC000754508075 660658478 /nfs/dbraw/zinc/65/84/78/660658478.db2.gz QELLSNMBRNHRSZ-QMMMGPOBSA-N 0 0 350.418 -0.073 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)C(C)(CO)CO)cc2=O ZINC000754862536 660660525 /nfs/dbraw/zinc/66/05/25/660660525.db2.gz FWYZXRCQPGVACX-UHFFFAOYSA-N 0 0 353.331 -0.354 20 10 FBCDRN COC[C@](C)(O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000754992295 660661083 /nfs/dbraw/zinc/66/10/83/660661083.db2.gz YKVVSLPXQPMFLZ-INIZCTEOSA-N 0 0 356.444 -0.065 20 10 FBCDRN COC[C@@](C)(O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000754992335 660661192 /nfs/dbraw/zinc/66/11/92/660661192.db2.gz YKVVSLPXQPMFLZ-MRXNPFEDSA-N 0 0 356.444 -0.065 20 10 FBCDRN O=S(=O)(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1COC1 ZINC000755085338 660661781 /nfs/dbraw/zinc/66/17/81/660661781.db2.gz SDPQVCUXSGJLDD-UHFFFAOYSA-N 0 0 360.457 -0.260 20 10 FBCDRN COc1ccc(O)c(CNC(=O)CNS(=O)(=O)c2cn(C)cn2)c1 ZINC000756764130 660674146 /nfs/dbraw/zinc/67/41/46/660674146.db2.gz FVVKVTQSQKYQQW-UHFFFAOYSA-N 0 0 354.388 -0.271 20 10 FBCDRN O=C(COC(=O)c1cccc(O)c1O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000758557334 660689242 /nfs/dbraw/zinc/68/92/42/660689242.db2.gz IREKAWOKBOTPDE-MRVPVSSYSA-N 0 0 372.355 -0.733 20 10 FBCDRN O=C(COC(=O)c1cccc(O)c1O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000758557392 660689294 /nfs/dbraw/zinc/68/92/94/660689294.db2.gz IREKAWOKBOTPDE-QMMMGPOBSA-N 0 0 372.355 -0.733 20 10 FBCDRN CN(CCCNC(=O)COC(=O)c1cccc(O)c1O)S(C)(=O)=O ZINC000758560725 660689347 /nfs/dbraw/zinc/68/93/47/660689347.db2.gz WEMLJBXYLLUNKX-UHFFFAOYSA-N 0 0 360.388 -0.348 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2cc(C(N)=O)no2)c1 ZINC000759627339 660695389 /nfs/dbraw/zinc/69/53/89/660695389.db2.gz PASKEJUWVXQGEK-UHFFFAOYSA-N 0 0 354.344 -0.219 20 10 FBCDRN COc1ccc(O)c(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)c1 ZINC000759637254 660695368 /nfs/dbraw/zinc/69/53/68/660695368.db2.gz QSTXUGRTAGZTJU-UHFFFAOYSA-N 0 0 357.432 -0.406 20 10 FBCDRN CNC(=O)NCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000761146490 660708085 /nfs/dbraw/zinc/70/80/85/660708085.db2.gz RMDXPYXKOHQKLV-UHFFFAOYSA-N 0 0 354.432 -0.533 20 10 FBCDRN Cn1cc(S(=O)(=O)NCC(=O)NCCc2ccc(O)c(O)c2)cn1 ZINC000762261731 660711163 /nfs/dbraw/zinc/71/11/63/660711163.db2.gz POAZSMUTOOWNIT-UHFFFAOYSA-N 0 0 354.388 -0.532 20 10 FBCDRN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000762263271 660711173 /nfs/dbraw/zinc/71/11/73/660711173.db2.gz DLJIAHGPVYFSLQ-JTQLQIEISA-N 0 0 368.415 -0.143 20 10 FBCDRN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000762263273 660711181 /nfs/dbraw/zinc/71/11/81/660711181.db2.gz DLJIAHGPVYFSLQ-SNVBAGLBSA-N 0 0 368.415 -0.143 20 10 FBCDRN Cc1nc(S(=O)(=O)NCC(=O)NCCc2ccc(O)c(O)c2)cn1C ZINC000762267281 660711157 /nfs/dbraw/zinc/71/11/57/660711157.db2.gz AITUMOIYULQXOC-UHFFFAOYSA-N 0 0 368.415 -0.223 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)CO)CC2)c1 ZINC000763236324 660716610 /nfs/dbraw/zinc/71/66/10/660716610.db2.gz DDKIOJSLVLOMLS-UHFFFAOYSA-N 0 0 357.388 -0.960 20 10 FBCDRN CCOC(=O)[C@@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000763279948 660717013 /nfs/dbraw/zinc/71/70/13/660717013.db2.gz OBECYSKQADVSAR-AWEZNQCLSA-N 0 0 360.388 -0.192 20 10 FBCDRN CCOC(=O)[C@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000763279953 660716832 /nfs/dbraw/zinc/71/68/32/660716832.db2.gz OBECYSKQADVSAR-CQSZACIVSA-N 0 0 360.388 -0.192 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3C(=O)N=NC3C2)c1 ZINC000763281560 660716971 /nfs/dbraw/zinc/71/69/71/660716971.db2.gz VWJROPAONAHMBN-UHFFFAOYSA-N 0 0 353.360 -0.283 20 10 FBCDRN CN1C(=O)C(=CNNc2ccccc2S(C)(=O)=O)C(=O)N(C)C1=O ZINC000764412980 660724966 /nfs/dbraw/zinc/72/49/66/660724966.db2.gz IGKPTHXPHNHNNG-UHFFFAOYSA-N 0 0 352.372 -0.059 20 10 FBCDRN C[C@@H](O)C(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000765648453 660732738 /nfs/dbraw/zinc/73/27/38/660732738.db2.gz KTARECSMVSYPHX-SECBINFHSA-N 0 0 350.331 -0.045 20 10 FBCDRN C[C@H](O)C(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000765648456 660732834 /nfs/dbraw/zinc/73/28/34/660732834.db2.gz KTARECSMVSYPHX-VIFPVBQESA-N 0 0 350.331 -0.045 20 10 FBCDRN COC[C@H](O)C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000766138476 660736693 /nfs/dbraw/zinc/73/66/93/660736693.db2.gz PXFWOAMDANUZTL-HNNXBMFYSA-N 0 0 352.387 -0.106 20 10 FBCDRN COC[C@@H](O)C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000766138478 660736764 /nfs/dbraw/zinc/73/67/64/660736764.db2.gz PXFWOAMDANUZTL-OAHLLOKOSA-N 0 0 352.387 -0.106 20 10 FBCDRN CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCS(=O)(=O)CC1 ZINC000767182677 660748162 /nfs/dbraw/zinc/74/81/62/660748162.db2.gz AIOYWWKOCOVICD-UHFFFAOYSA-N 0 0 374.484 -0.108 20 10 FBCDRN CS(=O)(=O)N1CCN(CC(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000767775893 660752632 /nfs/dbraw/zinc/75/26/32/660752632.db2.gz SKOCDFCCVHBCKW-UHFFFAOYSA-N 0 0 357.432 -0.666 20 10 FBCDRN CN(C)S(=O)(=O)N1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768440746 660756677 /nfs/dbraw/zinc/75/66/77/660756677.db2.gz GHBLTEUMWCXOEF-AWEZNQCLSA-N 0 0 357.432 -0.258 20 10 FBCDRN CN(C)S(=O)(=O)N1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768440748 660756549 /nfs/dbraw/zinc/75/65/49/660756549.db2.gz GHBLTEUMWCXOEF-CQSZACIVSA-N 0 0 357.432 -0.258 20 10 FBCDRN C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)S(N)(=O)=O ZINC000768613687 660757708 /nfs/dbraw/zinc/75/77/08/660757708.db2.gz JSMSTFSCTZDASM-SSDOTTSWSA-N 0 0 351.406 -0.830 20 10 FBCDRN C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)S(N)(=O)=O ZINC000768613703 660757741 /nfs/dbraw/zinc/75/77/41/660757741.db2.gz JSMSTFSCTZDASM-ZETCQYMHSA-N 0 0 351.406 -0.830 20 10 FBCDRN Cn1cnc(S(=O)(=O)NCC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000768903550 660759521 /nfs/dbraw/zinc/75/95/21/660759521.db2.gz INXUSQKDZYWAMJ-UHFFFAOYSA-N 0 0 354.388 -0.532 20 10 FBCDRN NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2O)o1 ZINC000769358864 660762342 /nfs/dbraw/zinc/76/23/42/660762342.db2.gz CBZSEUAFXHTQDA-UHFFFAOYSA-N 0 0 353.356 -0.321 20 10 FBCDRN NC(=O)c1cc(S(=O)(=O)NCC(=O)NCc2ccccc2O)c[nH]1 ZINC000769363498 660762308 /nfs/dbraw/zinc/76/23/08/660762308.db2.gz RKTAOLIEILFEFP-UHFFFAOYSA-N 0 0 352.372 -0.586 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCNC(=O)C1 ZINC000769441679 660762971 /nfs/dbraw/zinc/76/29/71/660762971.db2.gz OZLJUBVNCJIVTD-UHFFFAOYSA-N 0 0 366.443 -0.437 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](S(N)(=O)=O)C1)cc2=O ZINC000769655910 660764806 /nfs/dbraw/zinc/76/48/06/660764806.db2.gz KDUWAJGPNIVPOV-JTQLQIEISA-N 0 0 369.403 -0.526 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](S(N)(=O)=O)C1)cc2=O ZINC000769655911 660764862 /nfs/dbraw/zinc/76/48/62/660764862.db2.gz KDUWAJGPNIVPOV-SNVBAGLBSA-N 0 0 369.403 -0.526 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccn(CC(N)=O)n2)c1 ZINC000769717679 660765532 /nfs/dbraw/zinc/76/55/32/660765532.db2.gz WXPDEZRNXFHNCC-UHFFFAOYSA-N 0 0 353.360 -0.302 20 10 FBCDRN CCOC(=O)CN(CC(N)=O)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769734856 660765537 /nfs/dbraw/zinc/76/55/37/660765537.db2.gz NEAFNMLDAMOZQR-UHFFFAOYSA-N 0 0 373.387 -0.746 20 10 FBCDRN COC(=O)CN(CC(=O)OC)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769758194 660765831 /nfs/dbraw/zinc/76/58/31/660765831.db2.gz AMKDWKQZAUDYKQ-UHFFFAOYSA-N 0 0 374.371 -0.448 20 10 FBCDRN O=C(CN1CCN(Cc2ccccc2O)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000770510893 660774070 /nfs/dbraw/zinc/77/40/70/660774070.db2.gz UNRVFRWRDIDKIQ-HNNXBMFYSA-N 0 0 367.471 -0.187 20 10 FBCDRN O=C(CN1CCN(Cc2ccccc2O)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000770510894 660774116 /nfs/dbraw/zinc/77/41/16/660774116.db2.gz UNRVFRWRDIDKIQ-OAHLLOKOSA-N 0 0 367.471 -0.187 20 10 FBCDRN CNS(=O)(=O)NCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000773726007 660794672 /nfs/dbraw/zinc/79/46/72/660794672.db2.gz LTWREYJRAALHKN-UHFFFAOYSA-N 0 0 356.448 -0.465 20 10 FBCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000773749039 660794736 /nfs/dbraw/zinc/79/47/36/660794736.db2.gz NYTUSUICDXNPDC-JTQLQIEISA-N 0 0 368.415 -0.143 20 10 FBCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000773749055 660794900 /nfs/dbraw/zinc/79/49/00/660794900.db2.gz NYTUSUICDXNPDC-SNVBAGLBSA-N 0 0 368.415 -0.143 20 10 FBCDRN C[C@@H](NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1ccc(N(C)C)cc1 ZINC000773859491 660795376 /nfs/dbraw/zinc/79/53/76/660795376.db2.gz VGFJCHREJCUWNU-GHMZBOCLSA-N 0 0 356.448 -0.277 20 10 FBCDRN C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)S(N)(=O)=O ZINC000773859492 660795332 /nfs/dbraw/zinc/79/53/32/660795332.db2.gz VGFJCHREJCUWNU-MNOVXSKESA-N 0 0 356.448 -0.277 20 10 FBCDRN C[C@H](NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1ccc(N(C)C)cc1 ZINC000773859494 660795438 /nfs/dbraw/zinc/79/54/38/660795438.db2.gz VGFJCHREJCUWNU-QWRGUYRKSA-N 0 0 356.448 -0.277 20 10 FBCDRN C[C@@H](NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1ccc(N(C)C)cc1 ZINC000773859496 660795371 /nfs/dbraw/zinc/79/53/71/660795371.db2.gz VGFJCHREJCUWNU-WDEREUQCSA-N 0 0 356.448 -0.277 20 10 FBCDRN CNS(=O)(=O)NCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000773979416 660796633 /nfs/dbraw/zinc/79/66/33/660796633.db2.gz PCZBUBSEYBGSIV-UHFFFAOYSA-N 0 0 370.475 -0.435 20 10 FBCDRN CNS(=O)(=O)NCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000774015541 660796837 /nfs/dbraw/zinc/79/68/37/660796837.db2.gz ZHIXCGXPKQFGFH-UHFFFAOYSA-N 0 0 374.438 -0.543 20 10 FBCDRN Cn1[nH]cnc1=NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000774049979 660797172 /nfs/dbraw/zinc/79/71/72/660797172.db2.gz LCCOSUJLYIOPIK-UHFFFAOYSA-N 0 0 364.431 -0.207 20 10 FBCDRN CNS(=O)(=O)NCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000774067539 660797145 /nfs/dbraw/zinc/79/71/45/660797145.db2.gz YLKVCRYIODBBBN-CYBMUJFWSA-N 0 0 357.432 -0.046 20 10 FBCDRN CNS(=O)(=O)NCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000774067540 660797184 /nfs/dbraw/zinc/79/71/84/660797184.db2.gz YLKVCRYIODBBBN-ZDUSSCGKSA-N 0 0 357.432 -0.046 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](CO)CN2CCOCC2)c1 ZINC000774247654 660799212 /nfs/dbraw/zinc/79/92/12/660799212.db2.gz CHIRYRYHOSGYGS-GFCCVEGCSA-N 0 0 373.431 -0.813 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](CO)CN2CCOCC2)c1 ZINC000774247655 660799252 /nfs/dbraw/zinc/79/92/52/660799252.db2.gz CHIRYRYHOSGYGS-LBPRGKRZSA-N 0 0 373.431 -0.813 20 10 FBCDRN CNS(=O)(=O)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000774380949 660800125 /nfs/dbraw/zinc/80/01/25/660800125.db2.gz PQYZOSZGNJMTMO-UHFFFAOYSA-N 0 0 360.411 -0.668 20 10 FBCDRN CNS(=O)(=O)CCCOC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000777071662 660819205 /nfs/dbraw/zinc/81/92/05/660819205.db2.gz KFQJMCPKAMBPIC-UHFFFAOYSA-N 0 0 366.417 -0.140 20 10 FBCDRN O=C(COC(=O)C1=CC(=O)CS1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000778119566 660824458 /nfs/dbraw/zinc/82/44/58/660824458.db2.gz ZRPBCTPQRBJKLJ-SSDOTTSWSA-N 0 0 362.385 -0.377 20 10 FBCDRN O=C(COC(=O)C1=CC(=O)CS1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000778119567 660824392 /nfs/dbraw/zinc/82/43/92/660824392.db2.gz ZRPBCTPQRBJKLJ-ZETCQYMHSA-N 0 0 362.385 -0.377 20 10 FBCDRN Cc1nc(S(=O)(=O)NCC(=O)NCc2ccc(O)c(O)c2)cn1C ZINC000778927200 660832010 /nfs/dbraw/zinc/83/20/10/660832010.db2.gz KPJOLJIOWZYHDA-UHFFFAOYSA-N 0 0 354.388 -0.266 20 10 FBCDRN O=C(CN1CCOCC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000779178871 660833238 /nfs/dbraw/zinc/83/32/38/660833238.db2.gz VMXVBIVSTHDRIO-UHFFFAOYSA-N 0 0 367.471 -0.130 20 10 FBCDRN C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCN1CCO ZINC000779312106 660833706 /nfs/dbraw/zinc/83/37/06/660833706.db2.gz XAJZVXOQSKWUCZ-LLVKDONJSA-N 0 0 357.432 -0.098 20 10 FBCDRN C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCN1CCO ZINC000779312107 660833949 /nfs/dbraw/zinc/83/39/49/660833949.db2.gz XAJZVXOQSKWUCZ-NSHDSACASA-N 0 0 357.432 -0.098 20 10 FBCDRN CS(=O)(=O)N1CCN(CCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779496783 660834997 /nfs/dbraw/zinc/83/49/97/660834997.db2.gz BJLFMGGDVHGYLY-HWKANZROSA-N 0 0 369.443 -0.196 20 10 FBCDRN CS(=O)(=O)N1CCN(CCNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779496787 660834980 /nfs/dbraw/zinc/83/49/80/660834980.db2.gz BJLFMGGDVHGYLY-HYXAFXHYSA-N 0 0 369.443 -0.196 20 10 FBCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCS(=O)(=O)N1CCOCC1 ZINC000779508217 660835016 /nfs/dbraw/zinc/83/50/16/660835016.db2.gz GVIJUUUIHMPZAR-DUXPYHPUSA-N 0 0 356.400 -0.111 20 10 FBCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCS(=O)(=O)N1CCOCC1 ZINC000779508218 660834924 /nfs/dbraw/zinc/83/49/24/660834924.db2.gz GVIJUUUIHMPZAR-RQOWECAXSA-N 0 0 356.400 -0.111 20 10 FBCDRN COCCN1C(=O)C(=CNNc2ncncc2Cl)C(=O)NC1=S ZINC000780142095 660839976 /nfs/dbraw/zinc/83/99/76/660839976.db2.gz CEBVQDUKBARRGA-DAXSKMNVSA-N 0 0 356.795 -0.180 20 10 FBCDRN COCCN1C(=O)C(=CNNc2ncncc2Cl)C(=O)NC1=S ZINC000780142096 660839936 /nfs/dbraw/zinc/83/99/36/660839936.db2.gz CEBVQDUKBARRGA-QPJJXVBHSA-N 0 0 356.795 -0.180 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCNC(=O)c2ccn[nH]2)c1 ZINC000780800826 660841989 /nfs/dbraw/zinc/84/19/89/660841989.db2.gz RKVIYDOQBNPLJY-UHFFFAOYSA-N 0 0 367.387 -0.353 20 10 FBCDRN Cc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c(O)c1O ZINC000780907609 660842478 /nfs/dbraw/zinc/84/24/78/660842478.db2.gz QNGDZVNVNHSWBW-UHFFFAOYSA-N 0 0 357.432 -0.287 20 10 FBCDRN C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)S(N)(=O)=O ZINC000781959933 660847950 /nfs/dbraw/zinc/84/79/50/660847950.db2.gz BYQWLNKOTPRXEN-GFCCVEGCSA-N 0 0 368.459 -0.304 20 10 FBCDRN C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)S(N)(=O)=O ZINC000781959935 660848087 /nfs/dbraw/zinc/84/80/87/660848087.db2.gz BYQWLNKOTPRXEN-LBPRGKRZSA-N 0 0 368.459 -0.304 20 10 FBCDRN C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)S(N)(=O)=O ZINC000781960290 660848029 /nfs/dbraw/zinc/84/80/29/660848029.db2.gz GFRAFLNJFLFMOQ-LLVKDONJSA-N 0 0 356.448 -0.496 20 10 FBCDRN C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)S(N)(=O)=O ZINC000781960291 660847929 /nfs/dbraw/zinc/84/79/29/660847929.db2.gz GFRAFLNJFLFMOQ-NSHDSACASA-N 0 0 356.448 -0.496 20 10 FBCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)cc1 ZINC000781961489 660847905 /nfs/dbraw/zinc/84/79/05/660847905.db2.gz ICCLVPRCVRVFQF-GFCCVEGCSA-N 0 0 370.475 -0.058 20 10 FBCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)cc1 ZINC000781961495 660848088 /nfs/dbraw/zinc/84/80/88/660848088.db2.gz ICCLVPRCVRVFQF-LBPRGKRZSA-N 0 0 370.475 -0.058 20 10 FBCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000781961669 660847898 /nfs/dbraw/zinc/84/78/98/660847898.db2.gz PAAKLNRNLDHLDY-GFCCVEGCSA-N 0 0 370.475 -0.106 20 10 FBCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000781961682 660848083 /nfs/dbraw/zinc/84/80/83/660848083.db2.gz PAAKLNRNLDHLDY-LBPRGKRZSA-N 0 0 370.475 -0.106 20 10 FBCDRN C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)S(N)(=O)=O ZINC000781963480 660848454 /nfs/dbraw/zinc/84/84/54/660848454.db2.gz BYJMMHBJWVVIOS-SECBINFHSA-N 0 0 360.411 -0.699 20 10 FBCDRN C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)S(N)(=O)=O ZINC000781963481 660848336 /nfs/dbraw/zinc/84/83/36/660848336.db2.gz BYJMMHBJWVVIOS-VIFPVBQESA-N 0 0 360.411 -0.699 20 10 FBCDRN C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)S(N)(=O)=O ZINC000781965579 660848440 /nfs/dbraw/zinc/84/84/40/660848440.db2.gz VGXMSDOJMPCOAZ-LLVKDONJSA-N 0 0 368.459 -0.522 20 10 FBCDRN C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)S(N)(=O)=O ZINC000781965582 660848379 /nfs/dbraw/zinc/84/83/79/660848379.db2.gz VGXMSDOJMPCOAZ-NSHDSACASA-N 0 0 368.459 -0.522 20 10 FBCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000781968149 660848375 /nfs/dbraw/zinc/84/83/75/660848375.db2.gz WWTCCZMXYADKMO-LLVKDONJSA-N 0 0 356.448 -0.530 20 10 FBCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000781968151 660848427 /nfs/dbraw/zinc/84/84/27/660848427.db2.gz WWTCCZMXYADKMO-NSHDSACASA-N 0 0 356.448 -0.530 20 10 FBCDRN C[C@@H](CNC(=O)C(=O)NCc1c(O)ccc2c1CCCC2)S(N)(=O)=O ZINC000781968250 660848330 /nfs/dbraw/zinc/84/83/30/660848330.db2.gz BIDODGBVPGFQDC-JTQLQIEISA-N 0 0 369.443 -0.320 20 10 FBCDRN C[C@H](CNC(=O)C(=O)NCc1c(O)ccc2c1CCCC2)S(N)(=O)=O ZINC000781968253 660848384 /nfs/dbraw/zinc/84/83/84/660848384.db2.gz BIDODGBVPGFQDC-SNVBAGLBSA-N 0 0 369.443 -0.320 20 10 FBCDRN C[C@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)S(N)(=O)=O ZINC000781970558 660848694 /nfs/dbraw/zinc/84/86/94/660848694.db2.gz PIQZIQYIRVMEAR-GFCCVEGCSA-N 0 0 366.443 -0.528 20 10 FBCDRN C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)S(N)(=O)=O ZINC000781970562 660848616 /nfs/dbraw/zinc/84/86/16/660848616.db2.gz PIQZIQYIRVMEAR-LBPRGKRZSA-N 0 0 366.443 -0.528 20 10 FBCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1 ZINC000781974107 660848587 /nfs/dbraw/zinc/84/85/87/660848587.db2.gz ZTKRAKJUJNHIPZ-BDAKNGLRSA-N 0 0 359.404 -0.629 20 10 FBCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1 ZINC000781974108 660848692 /nfs/dbraw/zinc/84/86/92/660848692.db2.gz ZTKRAKJUJNHIPZ-DTWKUNHWSA-N 0 0 359.404 -0.629 20 10 FBCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1 ZINC000781974109 660848673 /nfs/dbraw/zinc/84/86/73/660848673.db2.gz ZTKRAKJUJNHIPZ-IUCAKERBSA-N 0 0 359.404 -0.629 20 10 FBCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1 ZINC000781974110 660848663 /nfs/dbraw/zinc/84/86/63/660848663.db2.gz ZTKRAKJUJNHIPZ-RKDXNWHRSA-N 0 0 359.404 -0.629 20 10 FBCDRN NS(=O)(=O)N1CCC(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1 ZINC000782678147 660854218 /nfs/dbraw/zinc/85/42/18/660854218.db2.gz ZHASDMGJMGHAPQ-UHFFFAOYSA-N 0 0 358.372 -0.261 20 10 FBCDRN Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(O)c(O)c2)cn1 ZINC000782857873 660855684 /nfs/dbraw/zinc/85/56/84/660855684.db2.gz OVSUIGGCNPWDAR-UHFFFAOYSA-N 0 0 369.355 -0.464 20 10 FBCDRN CCN1CCN(CC(=O)OCC(=O)c2ccc(O)c(O)c2)C(=O)C1=O ZINC000782895133 660856038 /nfs/dbraw/zinc/85/60/38/660856038.db2.gz ZNYCMFBGJRMIDK-UHFFFAOYSA-N 0 0 350.327 -0.486 20 10 FBCDRN NS(=O)(=O)c1cnn(CC(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000783322622 660858342 /nfs/dbraw/zinc/85/83/42/660858342.db2.gz DUZGSEPIPHLLIJ-UHFFFAOYSA-N 0 0 355.328 -0.632 20 10 FBCDRN NS(=O)(=O)c1cnn(CCC(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000783338406 660858351 /nfs/dbraw/zinc/85/83/51/660858351.db2.gz WYKMDZNERXKFDL-UHFFFAOYSA-N 0 0 369.355 -0.242 20 10 FBCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000784026673 660861729 /nfs/dbraw/zinc/86/17/29/660861729.db2.gz XUKSCJMJCFEIFA-LLVKDONJSA-N 0 0 357.432 -0.076 20 10 FBCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000784026674 660861686 /nfs/dbraw/zinc/86/16/86/660861686.db2.gz XUKSCJMJCFEIFA-NSHDSACASA-N 0 0 357.432 -0.076 20 10 FBCDRN Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000784085680 660861805 /nfs/dbraw/zinc/86/18/05/660861805.db2.gz UIQYYDATBNGFPS-UHFFFAOYSA-N 0 0 369.355 -0.464 20 10 FBCDRN CCOCCS(=O)(=O)NCC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784123745 660862021 /nfs/dbraw/zinc/86/20/21/660862021.db2.gz VFRLIFJLCGJNFJ-UHFFFAOYSA-N 0 0 361.372 -0.220 20 10 FBCDRN COCCCS(=O)(=O)NCC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784261022 660862563 /nfs/dbraw/zinc/86/25/63/660862563.db2.gz HVGUQOTWIQJYDM-UHFFFAOYSA-N 0 0 361.372 -0.220 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000785421228 660870193 /nfs/dbraw/zinc/87/01/93/660870193.db2.gz AWINFVBFKGBFGQ-CYBMUJFWSA-N 0 0 354.432 -0.742 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000785421245 660870255 /nfs/dbraw/zinc/87/02/55/660870255.db2.gz AWINFVBFKGBFGQ-ZDUSSCGKSA-N 0 0 354.432 -0.742 20 10 FBCDRN CNS(=O)(=O)CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000787326585 660884573 /nfs/dbraw/zinc/88/45/73/660884573.db2.gz ILLQHIRHTAEPPB-UHFFFAOYSA-N 0 0 368.459 -0.480 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](CO)[C@@H](O)C1)cc2=O ZINC000787997584 660890588 /nfs/dbraw/zinc/89/05/88/660890588.db2.gz USBHEXUMXRKOBN-GWCFXTLKSA-N 0 0 350.375 -0.213 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](CO)[C@H](O)C1)cc2=O ZINC000787997585 660890632 /nfs/dbraw/zinc/89/06/32/660890632.db2.gz USBHEXUMXRKOBN-GXFFZTMASA-N 0 0 350.375 -0.213 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](CO)[C@@H](O)C1)cc2=O ZINC000787997587 660890572 /nfs/dbraw/zinc/89/05/72/660890572.db2.gz USBHEXUMXRKOBN-MFKMUULPSA-N 0 0 350.375 -0.213 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](CO)[C@H](O)C1)cc2=O ZINC000787997589 660890583 /nfs/dbraw/zinc/89/05/83/660890583.db2.gz USBHEXUMXRKOBN-ZWNOBZJWSA-N 0 0 350.375 -0.213 20 10 FBCDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C1=CC(=O)CS1)C2 ZINC000788006435 660891147 /nfs/dbraw/zinc/89/11/47/660891147.db2.gz WUTZLPJGWCLTNO-UHFFFAOYSA-N 0 0 351.388 -0.444 20 10 FBCDRN CS(=O)(=O)CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000788393170 660893820 /nfs/dbraw/zinc/89/38/20/660893820.db2.gz QAQNJDDQTWRKGX-UHFFFAOYSA-N 0 0 351.475 -0.098 20 10 FBCDRN CS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000788395788 660894023 /nfs/dbraw/zinc/89/40/23/660894023.db2.gz JPFZDBHICHGPNK-UHFFFAOYSA-N 0 0 351.428 -0.160 20 10 FBCDRN COC(=O)CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000788601347 660894813 /nfs/dbraw/zinc/89/48/13/660894813.db2.gz ZDYBNRMFHBXKLB-UHFFFAOYSA-N 0 0 371.415 -0.306 20 10 FBCDRN C[S@@](=O)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000789800364 660901244 /nfs/dbraw/zinc/90/12/44/660901244.db2.gz OCSSCQRQOOEREA-RUZDIDTESA-N 0 0 371.434 -0.227 20 10 FBCDRN C[S@](=O)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000789800368 660901147 /nfs/dbraw/zinc/90/11/47/660901147.db2.gz OCSSCQRQOOEREA-VWLOTQADSA-N 0 0 371.434 -0.227 20 10 FBCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CC(CO)C1 ZINC000789811734 660901217 /nfs/dbraw/zinc/90/12/17/660901217.db2.gz GUUZNRDULSRDQE-UHFFFAOYSA-N 0 0 351.378 -0.271 20 10 FBCDRN CN(CCO)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000789841090 660901463 /nfs/dbraw/zinc/90/14/63/660901463.db2.gz RICMZUSNKUVAGF-UHFFFAOYSA-N 0 0 353.394 -0.146 20 10 FBCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N1CCNC(=O)C1 ZINC000789855128 660901454 /nfs/dbraw/zinc/90/14/54/660901454.db2.gz KIGBEQIHVSCABD-UHFFFAOYSA-N 0 0 362.455 -0.186 20 10 FBCDRN O=C(c1cccc(O)c1O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000790619761 660906040 /nfs/dbraw/zinc/90/60/40/660906040.db2.gz ZGJZDPNHTYYRIQ-AAEUAGOBSA-N 0 0 356.400 -0.987 20 10 FBCDRN O=C(c1cccc(O)c1O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000790619767 660906110 /nfs/dbraw/zinc/90/61/10/660906110.db2.gz ZGJZDPNHTYYRIQ-DGCLKSJQSA-N 0 0 356.400 -0.987 20 10 FBCDRN O=C(c1cccc(O)c1O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000790619771 660906081 /nfs/dbraw/zinc/90/60/81/660906081.db2.gz ZGJZDPNHTYYRIQ-WCQYABFASA-N 0 0 356.400 -0.987 20 10 FBCDRN O=C(c1cccc(O)c1O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000790619774 660906130 /nfs/dbraw/zinc/90/61/30/660906130.db2.gz ZGJZDPNHTYYRIQ-YPMHNXCESA-N 0 0 356.400 -0.987 20 10 FBCDRN Cn1ncc(C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1 ZINC000791777387 660912761 /nfs/dbraw/zinc/91/27/61/660912761.db2.gz RUSISKIIZRLDNN-UHFFFAOYSA-N 0 0 354.344 -0.068 20 10 FBCDRN COc1ccc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)c(O)c1 ZINC000792879683 660919582 /nfs/dbraw/zinc/91/95/82/660919582.db2.gz NZCHOJMWIVMXEX-UHFFFAOYSA-N 0 0 373.431 -0.138 20 10 FBCDRN COc1ccc(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000794376708 660931341 /nfs/dbraw/zinc/93/13/41/660931341.db2.gz ARLKIDKEXGYIDL-UHFFFAOYSA-N 0 0 357.432 -0.406 20 10 FBCDRN COc1ccc(CNC(=O)CNS(=O)(=O)c2cn(C)cn2)c(O)c1 ZINC000794378244 660931373 /nfs/dbraw/zinc/93/13/73/660931373.db2.gz QTMWMQLWNOQKQD-UHFFFAOYSA-N 0 0 354.388 -0.271 20 10 FBCDRN COc1ccc(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)c(O)c1 ZINC000794378473 660931324 /nfs/dbraw/zinc/93/13/24/660931324.db2.gz IJYSFEPMRPXTAS-UHFFFAOYSA-N 0 0 354.388 -0.271 20 10 FBCDRN COc1ccc(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)c(O)c1 ZINC000794379922 660931233 /nfs/dbraw/zinc/93/12/33/660931233.db2.gz ZUYPZICBBZEZTD-UHFFFAOYSA-N 0 0 354.388 -0.049 20 10 FBCDRN CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(OC)cc1O ZINC000795358446 660939325 /nfs/dbraw/zinc/93/93/25/660939325.db2.gz QFRWQHDMDWBOEW-UHFFFAOYSA-N 0 0 352.434 -0.241 20 10 FBCDRN COc1ccc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(O)c1 ZINC000795363471 660939424 /nfs/dbraw/zinc/93/94/24/660939424.db2.gz YXWIMQLMXJDJCB-UHFFFAOYSA-N 0 0 355.372 -0.723 20 10 FBCDRN O=S(=O)(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC1 ZINC000795826714 660942761 /nfs/dbraw/zinc/94/27/61/660942761.db2.gz XARQUBNLBDMRLG-UHFFFAOYSA-N 0 0 359.473 -0.039 20 10 FBCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000798338524 660955017 /nfs/dbraw/zinc/95/50/17/660955017.db2.gz VMDXBWYZMUCWPH-SECBINFHSA-N 0 0 354.388 -0.311 20 10 FBCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000798338525 660955110 /nfs/dbraw/zinc/95/51/10/660955110.db2.gz VMDXBWYZMUCWPH-VIFPVBQESA-N 0 0 354.388 -0.311 20 10 FBCDRN C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)S(N)(=O)=O ZINC000799889459 660963267 /nfs/dbraw/zinc/96/32/67/660963267.db2.gz PUICRUFMJQGJFJ-GFCCVEGCSA-N 0 0 356.448 -0.001 20 10 FBCDRN C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)S(N)(=O)=O ZINC000799889475 660963226 /nfs/dbraw/zinc/96/32/26/660963226.db2.gz PUICRUFMJQGJFJ-LBPRGKRZSA-N 0 0 356.448 -0.001 20 10 FBCDRN Cn1nncc1C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000803306536 662344669 /nfs/dbraw/zinc/34/46/69/662344669.db2.gz RSKGKAKZRCPCTP-UHFFFAOYSA-N 0 0 354.344 -0.068 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1F ZINC000803663436 662351321 /nfs/dbraw/zinc/35/13/21/662351321.db2.gz OYTDVLOQIDXAEK-LLVKDONJSA-N 0 0 372.422 -0.603 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1F ZINC000803663439 662351102 /nfs/dbraw/zinc/35/11/02/662351102.db2.gz OYTDVLOQIDXAEK-NSHDSACASA-N 0 0 372.422 -0.603 20 10 FBCDRN CNS(=O)(=O)N1CCC(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1 ZINC000803934875 662364249 /nfs/dbraw/zinc/36/42/49/662364249.db2.gz JCFAQXITUQKKJQ-UHFFFAOYSA-N 0 0 372.399 0.000 20 10 FBCDRN CNS(=O)(=O)NCC(=O)NCc1cc(Br)ccc1O ZINC000804735364 657256292 /nfs/dbraw/zinc/25/62/92/657256292.db2.gz WBKPABWPEHARAI-UHFFFAOYSA-N 0 0 352.210 -0.175 20 10 FBCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCC[S@@](C)=O ZINC000804998541 660630700 /nfs/dbraw/zinc/63/07/00/660630700.db2.gz IOQHIPBOGPBZHC-RUZDIDTESA-N 0 0 367.471 -0.024 20 10 FBCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCC[S@](C)=O ZINC000804998542 660630729 /nfs/dbraw/zinc/63/07/29/660630729.db2.gz IOQHIPBOGPBZHC-VWLOTQADSA-N 0 0 367.471 -0.024 20 10 FBCDRN NC(=O)[C@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CCO1 ZINC000806280048 660975158 /nfs/dbraw/zinc/97/51/58/660975158.db2.gz ILOCQZUPFWXBEW-SECBINFHSA-N 0 0 358.445 -0.546 20 10 FBCDRN NC(=O)[C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CCO1 ZINC000806280049 660975032 /nfs/dbraw/zinc/97/50/32/660975032.db2.gz ILOCQZUPFWXBEW-VIFPVBQESA-N 0 0 358.445 -0.546 20 10 FBCDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CCO1 ZINC000806280406 660975210 /nfs/dbraw/zinc/97/52/10/660975210.db2.gz CRBIKEFTKJDKCH-JTQLQIEISA-N 0 0 372.472 -0.285 20 10 FBCDRN CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CCO1 ZINC000806280407 660975079 /nfs/dbraw/zinc/97/50/79/660975079.db2.gz CRBIKEFTKJDKCH-SNVBAGLBSA-N 0 0 372.472 -0.285 20 10 FBCDRN COC(=O)COCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000806524971 660976374 /nfs/dbraw/zinc/97/63/74/660976374.db2.gz IGONUAPNMNEZEE-UHFFFAOYSA-N 0 0 370.427 -0.273 20 10 FBCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000807103677 660981701 /nfs/dbraw/zinc/98/17/01/660981701.db2.gz UIIQWXPYTFYZET-AWEZNQCLSA-N 0 0 368.459 -0.433 20 10 FBCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000807103684 660981679 /nfs/dbraw/zinc/98/16/79/660981679.db2.gz UIIQWXPYTFYZET-CQSZACIVSA-N 0 0 368.459 -0.433 20 10 FBCDRN CN(C)C(=O)CNC(=O)C(=O)NCc1cc(Br)ccc1O ZINC000807387007 660983035 /nfs/dbraw/zinc/98/30/35/660983035.db2.gz UWWIAGRFIZEEKK-UHFFFAOYSA-N 0 0 358.192 -0.025 20 10 FBCDRN C[C@@H](NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000807674194 660984698 /nfs/dbraw/zinc/98/46/98/660984698.db2.gz HXODPMWBOQHNOJ-BXUZGUMPSA-N 0 0 368.459 -0.181 20 10 FBCDRN C[C@H](NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000807674195 660984585 /nfs/dbraw/zinc/98/45/85/660984585.db2.gz HXODPMWBOQHNOJ-FZMZJTMJSA-N 0 0 368.459 -0.181 20 10 FBCDRN C[C@@H](NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000807674196 660984653 /nfs/dbraw/zinc/98/46/53/660984653.db2.gz HXODPMWBOQHNOJ-RISCZKNCSA-N 0 0 368.459 -0.181 20 10 FBCDRN C[C@H](NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000807674197 660984738 /nfs/dbraw/zinc/98/47/38/660984738.db2.gz HXODPMWBOQHNOJ-SMDDNHRTSA-N 0 0 368.459 -0.181 20 10 FBCDRN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)C(C)=O)cc1 ZINC000808485392 660990544 /nfs/dbraw/zinc/99/05/44/660990544.db2.gz OLRRVEDEDVADTP-UHFFFAOYSA-N 0 0 371.367 -0.157 20 10 FBCDRN CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)C(C)=O)cc1[N+](=O)[O-] ZINC000808485686 660990721 /nfs/dbraw/zinc/99/07/21/660990721.db2.gz UYUMUTKSFPJGOW-UHFFFAOYSA-N 0 0 373.343 -0.384 20 10 FBCDRN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)C(C)=O)cc1 ZINC000808489181 660990739 /nfs/dbraw/zinc/99/07/39/660990739.db2.gz HIUVGEGWPOQQNU-UHFFFAOYSA-N 0 0 370.383 -0.033 20 10 FBCDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)C(C)=O)c1 ZINC000808494095 660990595 /nfs/dbraw/zinc/99/05/95/660990595.db2.gz KIGRYYWHMLAIGN-UHFFFAOYSA-N 0 0 372.399 -0.420 20 10 FBCDRN CC(=O)C(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000808494207 660990747 /nfs/dbraw/zinc/99/07/47/660990747.db2.gz LWJNIGTWOCUGMU-UHFFFAOYSA-N 0 0 371.367 -0.173 20 10 FBCDRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)C(C)=O)cc1 ZINC000808496025 660990726 /nfs/dbraw/zinc/99/07/26/660990726.db2.gz XJHCWRWQDBUPHM-UHFFFAOYSA-N 0 0 356.356 -0.375 20 10 FBCDRN CC(=O)C(=O)COC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000808496258 660990680 /nfs/dbraw/zinc/99/06/80/660990680.db2.gz HWSSCHJWRRSFNN-UHFFFAOYSA-N 0 0 370.383 -0.632 20 10 FBCDRN COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)C(C)=O)cc1OC ZINC000808498704 660990723 /nfs/dbraw/zinc/99/07/23/660990723.db2.gz YRNZUJWPMXVKNE-UHFFFAOYSA-N 0 0 359.356 -0.317 20 10 FBCDRN CC(=O)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000808498866 660990697 /nfs/dbraw/zinc/99/06/97/660990697.db2.gz YRKZGKRKKHCPKI-UHFFFAOYSA-N 0 0 358.372 -0.639 20 10 FBCDRN CC(=O)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000808500712 660990706 /nfs/dbraw/zinc/99/07/06/660990706.db2.gz WROGDIPCAZAWGS-UHFFFAOYSA-N 0 0 368.367 -0.878 20 10 FBCDRN CC(=O)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000808501531 660990588 /nfs/dbraw/zinc/99/05/88/660990588.db2.gz QYMALIJQSMMQEM-UHFFFAOYSA-N 0 0 368.367 -0.878 20 10 FBCDRN COCCN1C(=O)c2ccc(C(=O)OCC(=O)C(C)=O)cc2S1(=O)=O ZINC000808506708 660990686 /nfs/dbraw/zinc/99/06/86/660990686.db2.gz QNIKZIHUMYLUMO-UHFFFAOYSA-N 0 0 369.351 -0.208 20 10 FBCDRN CC(=O)C(=O)COC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000808508973 660990638 /nfs/dbraw/zinc/99/06/38/660990638.db2.gz KPECSEWZEWVDHE-UHFFFAOYSA-N 0 0 358.328 -0.036 20 10 FBCDRN CC(=O)C(=O)COC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000808509475 660990631 /nfs/dbraw/zinc/99/06/31/660990631.db2.gz RLSFZWDAPFALEK-UHFFFAOYSA-N 0 0 358.328 -0.036 20 10 FBCDRN CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000808517860 660990702 /nfs/dbraw/zinc/99/07/02/660990702.db2.gz PVDSKVHFGGBDGS-JTQLQIEISA-N 0 0 368.367 -0.612 20 10 FBCDRN CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000808517861 660990571 /nfs/dbraw/zinc/99/05/71/660990571.db2.gz PVDSKVHFGGBDGS-SNVBAGLBSA-N 0 0 368.367 -0.612 20 10 FBCDRN CC(=O)C(=O)COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000808519717 660990716 /nfs/dbraw/zinc/99/07/16/660990716.db2.gz ZGQBVDHJXAERFA-UHFFFAOYSA-N 0 0 358.328 -0.083 20 10 FBCDRN CC(=O)C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000808526938 660990897 /nfs/dbraw/zinc/99/08/97/660990897.db2.gz VPOICSGIORBYBH-LLVKDONJSA-N 0 0 363.775 -0.320 20 10 FBCDRN CC(=O)C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000808526946 660990825 /nfs/dbraw/zinc/99/08/25/660990825.db2.gz VPOICSGIORBYBH-NSHDSACASA-N 0 0 363.775 -0.320 20 10 FBCDRN CC(=O)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000808527355 660990811 /nfs/dbraw/zinc/99/08/11/660990811.db2.gz DQZMADMJHWYXMI-MRVPVSSYSA-N 0 0 356.356 -0.846 20 10 FBCDRN CC(=O)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000808527356 660990894 /nfs/dbraw/zinc/99/08/94/660990894.db2.gz DQZMADMJHWYXMI-QMMMGPOBSA-N 0 0 356.356 -0.846 20 10 FBCDRN CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000808540012 660990980 /nfs/dbraw/zinc/99/09/80/660990980.db2.gz LHMVEPYIDZLWGL-YPMHNXCESA-N 0 0 373.358 -0.349 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCn2cc(CO)nn2)c1 ZINC000811597583 661008990 /nfs/dbraw/zinc/00/89/90/661008990.db2.gz CLFRDNKBBMYNDG-UHFFFAOYSA-N 0 0 369.403 -0.332 20 10 FBCDRN CNC(=O)NCCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000814329945 661024485 /nfs/dbraw/zinc/02/44/85/661024485.db2.gz FRDAENCNKAUJDV-UHFFFAOYSA-N 0 0 368.459 -0.143 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@@H](COC)C(N)=O)cc2=O ZINC000815136111 661027274 /nfs/dbraw/zinc/02/72/74/661027274.db2.gz PAWWRPXAINAJAH-NSHDSACASA-N 0 0 351.363 -0.456 20 10 FBCDRN NS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000815263438 661027845 /nfs/dbraw/zinc/02/78/45/661027845.db2.gz QHGLGIJWQYCPLX-JTQLQIEISA-N 0 0 358.372 -0.261 20 10 FBCDRN NS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000815263455 661027786 /nfs/dbraw/zinc/02/77/86/661027786.db2.gz QHGLGIJWQYCPLX-SNVBAGLBSA-N 0 0 358.372 -0.261 20 10 FBCDRN CN(C)S(=O)(=O)NCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000816825558 661039831 /nfs/dbraw/zinc/03/98/31/661039831.db2.gz GYZOCUMQXNWXBE-UHFFFAOYSA-N 0 0 370.475 -0.122 20 10 FBCDRN CN(C)S(=O)(=O)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000816891341 661039979 /nfs/dbraw/zinc/03/99/79/661039979.db2.gz QCCMXSYBCOOCDC-UHFFFAOYSA-N 0 0 374.438 -0.326 20 10 FBCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC(=O)NC(=O)N1 ZINC000816891481 661039941 /nfs/dbraw/zinc/03/99/41/661039941.db2.gz UMIGYSSLAKINKN-LBPRGKRZSA-N 0 0 350.350 -0.123 20 10 FBCDRN CN(C)S(=O)(=O)NCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000816897224 661040273 /nfs/dbraw/zinc/04/02/73/661040273.db2.gz BDELEFBYNDTFGC-UHFFFAOYSA-N 0 0 356.448 -0.465 20 10 FBCDRN CN(C)S(=O)(=O)N(C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000816899265 661040389 /nfs/dbraw/zinc/04/03/89/661040389.db2.gz PUPMXNQSWVYTBP-UHFFFAOYSA-N 0 0 370.475 -0.122 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCCS(N)(=O)=O)c1 ZINC000818124336 661053459 /nfs/dbraw/zinc/05/34/59/661053459.db2.gz CWHNROWDNZGUNL-UHFFFAOYSA-N 0 0 365.433 -0.438 20 10 FBCDRN CC(C)NS(=O)(=O)NCCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819171448 661066724 /nfs/dbraw/zinc/06/67/24/661066724.db2.gz WZSBZIHXOBGKRF-UHFFFAOYSA-N 0 0 370.431 -0.011 20 10 FBCDRN CNS(=O)(=O)NCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819590055 661068800 /nfs/dbraw/zinc/06/88/00/661068800.db2.gz IDCAVYPRDRDTFS-GFCCVEGCSA-N 0 0 356.448 -0.309 20 10 FBCDRN CNS(=O)(=O)NCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819590079 661068810 /nfs/dbraw/zinc/06/88/10/661068810.db2.gz IDCAVYPRDRDTFS-LBPRGKRZSA-N 0 0 356.448 -0.309 20 10 FBCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CNS(=O)(=O)NC ZINC000819698769 661069577 /nfs/dbraw/zinc/06/95/77/661069577.db2.gz RKKIAVOHFYYSOI-UHFFFAOYSA-N 0 0 359.404 -0.662 20 10 FBCDRN CN1C(=O)CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O ZINC000819724108 661069647 /nfs/dbraw/zinc/06/96/47/661069647.db2.gz PZUSVENJOITPGE-JTQLQIEISA-N 0 0 355.372 -0.359 20 10 FBCDRN CN1C(=O)CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O ZINC000819724109 661069775 /nfs/dbraw/zinc/06/97/75/661069775.db2.gz PZUSVENJOITPGE-SNVBAGLBSA-N 0 0 355.372 -0.359 20 10 FBCDRN C[NH+](C)CCN(CC(=O)[O-])C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000820539665 598142697 /nfs/dbraw/zinc/14/26/97/598142697.db2.gz VGSQCFRFXCGJNP-UHFFFAOYSA-N 0 0 359.404 -0.148 20 10 FBCDRN C[C@H](CC(N)=O)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000820985628 661079932 /nfs/dbraw/zinc/07/99/32/661079932.db2.gz BHZNBMUHFLFEQX-GFCCVEGCSA-N 0 0 368.459 -0.016 20 10 FBCDRN C[C@@H](CC(N)=O)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000820985638 661079887 /nfs/dbraw/zinc/07/98/87/661079887.db2.gz BHZNBMUHFLFEQX-LBPRGKRZSA-N 0 0 368.459 -0.016 20 10 FBCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(N)=O ZINC000820986132 661079984 /nfs/dbraw/zinc/07/99/84/661079984.db2.gz KZVMEUSOPLQEJH-CQSZACIVSA-N 0 0 368.459 -0.016 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC(CO)CO ZINC000820986576 661080026 /nfs/dbraw/zinc/08/00/26/661080026.db2.gz RAXHZLBEGJMTST-UHFFFAOYSA-N 0 0 357.432 -0.926 20 10 FBCDRN CC(CO)(CO)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000820986827 661079923 /nfs/dbraw/zinc/07/99/23/661079923.db2.gz VFCCJASCFSDNGH-UHFFFAOYSA-N 0 0 371.459 -0.536 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1COC[C@H]1O ZINC000820986868 661079919 /nfs/dbraw/zinc/07/99/19/661079919.db2.gz WRRAPYZSUQBTGI-HUUCEWRRSA-N 0 0 369.443 -0.520 20 10 FBCDRN CNS(=O)(=O)NCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000822586857 661090986 /nfs/dbraw/zinc/09/09/86/661090986.db2.gz ZNZIUILVSYIHRL-UHFFFAOYSA-N 0 0 358.489 -0.090 20 10 FBCDRN CNS(=O)(=O)NCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000822656131 661091536 /nfs/dbraw/zinc/09/15/36/661091536.db2.gz MGYYQOKDDUIANP-UHFFFAOYSA-N 0 0 356.448 -0.212 20 10 FBCDRN CN1C[C@@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)NC1=O ZINC000822759650 661092041 /nfs/dbraw/zinc/09/20/41/661092041.db2.gz WAFUCGLDBVVUFN-AWEZNQCLSA-N 0 0 366.443 -0.439 20 10 FBCDRN CN1C[C@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)NC1=O ZINC000822759651 661091976 /nfs/dbraw/zinc/09/19/76/661091976.db2.gz WAFUCGLDBVVUFN-CQSZACIVSA-N 0 0 366.443 -0.439 20 10 FBCDRN CNS(=O)(=O)NCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000822786540 661092306 /nfs/dbraw/zinc/09/23/06/661092306.db2.gz RMJBPVPVVGZODY-GFCCVEGCSA-N 0 0 356.448 -0.246 20 10 FBCDRN CNS(=O)(=O)NCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000822786542 661092358 /nfs/dbraw/zinc/09/23/58/661092358.db2.gz RMJBPVPVVGZODY-LBPRGKRZSA-N 0 0 356.448 -0.246 20 10 FBCDRN CNS(=O)(=O)NCC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000822999666 661093719 /nfs/dbraw/zinc/09/37/19/661093719.db2.gz MMRKGWARVXJLBP-UHFFFAOYSA-N 0 0 356.448 -0.166 20 10 FBCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc1 ZINC000823947695 661098315 /nfs/dbraw/zinc/09/83/15/661098315.db2.gz AHEXKEUSHGOBKK-AWEZNQCLSA-N 0 0 369.443 -0.497 20 10 FBCDRN CS(=O)(=O)N1CCN(CCNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000825521931 661105101 /nfs/dbraw/zinc/10/51/01/661105101.db2.gz HDTKMTGOAAKKOT-UHFFFAOYSA-N 0 0 361.395 -0.456 20 10 FBCDRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000826707871 661113116 /nfs/dbraw/zinc/11/31/16/661113116.db2.gz ZBGQNVUECBKEMX-KBPBESRZSA-N 0 0 369.443 -0.703 20 10 FBCDRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000826707878 661113217 /nfs/dbraw/zinc/11/32/17/661113217.db2.gz ZBGQNVUECBKEMX-KGLIPLIRSA-N 0 0 369.443 -0.703 20 10 FBCDRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000826707881 661113152 /nfs/dbraw/zinc/11/31/52/661113152.db2.gz ZBGQNVUECBKEMX-UONOGXRCSA-N 0 0 369.443 -0.703 20 10 FBCDRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000826707883 661113334 /nfs/dbraw/zinc/11/33/34/661113334.db2.gz ZBGQNVUECBKEMX-ZIAGYGMSSA-N 0 0 369.443 -0.703 20 10 FBCDRN CNS(=O)(=O)NCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000826970352 661115449 /nfs/dbraw/zinc/11/54/49/661115449.db2.gz LDWMBGXXBFIYAF-UHFFFAOYSA-N 0 0 360.411 -0.463 20 10 FBCDRN COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)C2)cc1 ZINC000827087138 661116459 /nfs/dbraw/zinc/11/64/59/661116459.db2.gz KRHODDRDGKPFND-GFCCVEGCSA-N 0 0 369.443 -0.449 20 10 FBCDRN COc1ccc(N2CC[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)C2)cc1 ZINC000827087139 661116448 /nfs/dbraw/zinc/11/64/48/661116448.db2.gz KRHODDRDGKPFND-LBPRGKRZSA-N 0 0 369.443 -0.449 20 10 FBCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@H]1CCNC1=O ZINC000827196333 661117307 /nfs/dbraw/zinc/11/73/07/661117307.db2.gz INHQHHXWWUVPCD-AWEZNQCLSA-N 0 0 362.455 -0.139 20 10 FBCDRN COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC[S@@](C)=O)C2)cc1 ZINC000828011043 661123736 /nfs/dbraw/zinc/12/37/36/661123736.db2.gz XYHITHBWBQPWQB-FNODVLLQSA-N 0 0 353.444 -0.115 20 10 FBCDRN COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC[S@](C)=O)C2)cc1 ZINC000828011044 661123730 /nfs/dbraw/zinc/12/37/30/661123730.db2.gz XYHITHBWBQPWQB-MCFWBGNESA-N 0 0 353.444 -0.115 20 10 FBCDRN COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC[S@@](C)=O)C2)cc1 ZINC000828011045 661123773 /nfs/dbraw/zinc/12/37/73/661123773.db2.gz XYHITHBWBQPWQB-OIRASMEMSA-N 0 0 353.444 -0.115 20 10 FBCDRN COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC[S@](C)=O)C2)cc1 ZINC000828011046 661123843 /nfs/dbraw/zinc/12/38/43/661123843.db2.gz XYHITHBWBQPWQB-YYUOZPCZSA-N 0 0 353.444 -0.115 20 10 FBCDRN COc1ccc(N2CCN(C(=O)CNS(=O)(=O)N(C)C)CC2)cc1F ZINC000829869248 661135695 /nfs/dbraw/zinc/13/56/95/661135695.db2.gz LTBIGTHRYMMCAU-UHFFFAOYSA-N 0 0 374.438 -0.121 20 10 FBCDRN CNS(=O)(=O)NCC(=O)NCc1cccc(Br)c1O ZINC000831159012 661145057 /nfs/dbraw/zinc/14/50/57/661145057.db2.gz QOBFGARPWNAHRD-UHFFFAOYSA-N 0 0 352.210 -0.175 20 10 FBCDRN Cc1nc(S(=O)(=O)NCC(=O)NCCc2ccc(N)cc2)cn1C ZINC000832652944 661157420 /nfs/dbraw/zinc/15/74/20/661157420.db2.gz KPHLGBJVSVYVMQ-UHFFFAOYSA-N 0 0 351.432 -0.052 20 10 FBCDRN Nc1ccc(CCNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000832653263 661157487 /nfs/dbraw/zinc/15/74/87/661157487.db2.gz WJBOUKZQRFMDCQ-DZGCQCFKSA-N 0 0 365.455 -0.037 20 10 FBCDRN Nc1ccc(CCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000832653265 661157428 /nfs/dbraw/zinc/15/74/28/661157428.db2.gz WJBOUKZQRFMDCQ-HIFRSBDPSA-N 0 0 365.455 -0.037 20 10 FBCDRN Nc1ccc(CCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000832653267 661157449 /nfs/dbraw/zinc/15/74/49/661157449.db2.gz WJBOUKZQRFMDCQ-UKRRQHHQSA-N 0 0 365.455 -0.037 20 10 FBCDRN Nc1ccc(CCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000832653269 661157489 /nfs/dbraw/zinc/15/74/89/661157489.db2.gz WJBOUKZQRFMDCQ-ZFWWWQNUSA-N 0 0 365.455 -0.037 20 10 FBCDRN O=C(c1cccc(O)c1O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000834397431 661161383 /nfs/dbraw/zinc/16/13/83/661161383.db2.gz PNNIYQMHQSTKJX-UHFFFAOYSA-N 0 0 352.372 -0.032 20 10 FBCDRN C[C@H]1NC(=O)N(CCOC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O ZINC000837464856 661175224 /nfs/dbraw/zinc/17/52/24/661175224.db2.gz FIYIGNGGTGJGPL-MRVPVSSYSA-N 0 0 371.371 -0.139 20 10 FBCDRN C[C@@H]1NC(=O)N(CCOC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O ZINC000837464867 661175122 /nfs/dbraw/zinc/17/51/22/661175122.db2.gz FIYIGNGGTGJGPL-QMMMGPOBSA-N 0 0 371.371 -0.139 20 10 FBCDRN CN(C)c1ccc(CNC(=O)N2CCN(CC(N)=O)C(=O)C2)cc1F ZINC000838030174 660540435 /nfs/dbraw/zinc/54/04/35/660540435.db2.gz WZXRXSWQPFZUQE-UHFFFAOYSA-N 0 0 351.382 -0.269 20 10 FBCDRN CN(C)c1ccc(CNC(=O)NCCOCCS(N)(=O)=O)cc1F ZINC000838030539 660540431 /nfs/dbraw/zinc/54/04/31/660540431.db2.gz UYACLGYTXJLGNM-UHFFFAOYSA-N 0 0 362.427 -0.004 20 10 FBCDRN NC(=O)CN1CCN(C(=O)NCCCSc2nccs2)CC1=O ZINC000838512994 660545990 /nfs/dbraw/zinc/54/59/90/660545990.db2.gz CECPCYVTFCIMDD-UHFFFAOYSA-N 0 0 357.461 -0.036 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@](O)(CO)C1)cc2=O ZINC000839147063 660551983 /nfs/dbraw/zinc/55/19/83/660551983.db2.gz CIDRYNLOYQUYSJ-INIZCTEOSA-N 0 0 350.375 -0.069 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@](O)(CO)C1)cc2=O ZINC000839147065 660551940 /nfs/dbraw/zinc/55/19/40/660551940.db2.gz CIDRYNLOYQUYSJ-MRXNPFEDSA-N 0 0 350.375 -0.069 20 10 FBCDRN CS(=O)(=O)N1CCN(CCNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841770724 661183201 /nfs/dbraw/zinc/18/32/01/661183201.db2.gz PAQKEFQXPFMZEO-UHFFFAOYSA-N 0 0 369.491 -0.312 20 10 FBCDRN Nc1ccc(CCNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 ZINC000841771575 661183461 /nfs/dbraw/zinc/18/34/61/661183461.db2.gz YQFZYUQAAISCIZ-UHFFFAOYSA-N 0 0 356.448 -0.228 20 10 FBCDRN Nc1ccc(CCNC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1 ZINC000841956191 661184478 /nfs/dbraw/zinc/18/44/78/661184478.db2.gz YAVNTGVBLCTLAV-UHFFFAOYSA-N 0 0 367.475 -0.560 20 10 FBCDRN COc1ccc(N2CCN(C(=O)CN3CCN(C)S3(=O)=O)CC2)cc1 ZINC000842084568 661185001 /nfs/dbraw/zinc/18/50/01/661185001.db2.gz GPCBMOAICCSBON-UHFFFAOYSA-N 0 0 368.459 -0.164 20 10 FBCDRN NCC(F)(F)CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000842192942 661186561 /nfs/dbraw/zinc/18/65/61/661186561.db2.gz UVHYQOQPAXSRLO-UHFFFAOYSA-N 0 0 356.373 -0.150 20 10 FBCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN1CCNCC1=O ZINC000843489761 661203921 /nfs/dbraw/zinc/20/39/21/661203921.db2.gz UBCCPVMPNWESMF-UHFFFAOYSA-N 0 0 369.805 -0.021 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(N3CC[C@@H](O)C3)C2)c1 ZINC000843998327 661208671 /nfs/dbraw/zinc/20/86/71/661208671.db2.gz VIVNHNBNNPBMMC-GFCCVEGCSA-N 0 0 355.416 -0.345 20 10 FBCDRN COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000844120525 661210600 /nfs/dbraw/zinc/21/06/00/661210600.db2.gz ZLYMWOTUUQYPGN-GXSJLCMTSA-N 0 0 372.399 -0.240 20 10 FBCDRN COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000844120526 661210634 /nfs/dbraw/zinc/21/06/34/661210634.db2.gz ZLYMWOTUUQYPGN-KOLCDFICSA-N 0 0 372.399 -0.240 20 10 FBCDRN COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000844120527 661210507 /nfs/dbraw/zinc/21/05/07/661210507.db2.gz ZLYMWOTUUQYPGN-MWLCHTKSSA-N 0 0 372.399 -0.240 20 10 FBCDRN COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000844120528 661210531 /nfs/dbraw/zinc/21/05/31/661210531.db2.gz ZLYMWOTUUQYPGN-ONGXEEELSA-N 0 0 372.399 -0.240 20 10 FBCDRN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)N(C)CCOC)cc1 ZINC000844661558 661215746 /nfs/dbraw/zinc/21/57/46/661215746.db2.gz IPKJZMITUVAGPC-UHFFFAOYSA-N 0 0 352.438 -0.202 20 10 FBCDRN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)N2CCCOCC2)cc1 ZINC000844663139 661215729 /nfs/dbraw/zinc/21/57/29/661215729.db2.gz UFRWBNCYXSTQJD-UHFFFAOYSA-N 0 0 364.449 -0.058 20 10 FBCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)N1 ZINC000845237654 661224333 /nfs/dbraw/zinc/22/43/33/661224333.db2.gz VFCZVDQQBBLNIT-CYBMUJFWSA-N 0 0 357.407 -0.030 20 10 FBCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)N1 ZINC000845237655 661224520 /nfs/dbraw/zinc/22/45/20/661224520.db2.gz VFCZVDQQBBLNIT-ZDUSSCGKSA-N 0 0 357.407 -0.030 20 10 FBCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 ZINC000845367735 661226343 /nfs/dbraw/zinc/22/63/43/661226343.db2.gz HPIBEMAEDDSFOI-AWEZNQCLSA-N 0 0 369.443 -0.054 20 10 FBCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@H]2CCS(=O)(=O)N2)cc1 ZINC000845367738 661226777 /nfs/dbraw/zinc/22/67/77/661226777.db2.gz HPIBEMAEDDSFOI-CQSZACIVSA-N 0 0 369.443 -0.054 20 10 FBCDRN COc1ccc(N(C)CCN(C)C(=O)C(=O)NCC(=O)N(C)C)cc1 ZINC000846098905 661238532 /nfs/dbraw/zinc/23/85/32/661238532.db2.gz TUKCTVHTOSLLCE-UHFFFAOYSA-N 0 0 350.419 -0.206 20 10 FBCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000846267473 661239998 /nfs/dbraw/zinc/23/99/98/661239998.db2.gz TXZDEYGJLYYJLP-GFCCVEGCSA-N 0 0 356.400 -0.024 20 10 FBCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000846267475 661240075 /nfs/dbraw/zinc/24/00/75/661240075.db2.gz TXZDEYGJLYYJLP-LBPRGKRZSA-N 0 0 356.400 -0.024 20 10 FBCDRN COc1ccc(N(C)CCN(C)C(=O)C(=O)N(C)CCC(N)=O)cc1 ZINC000846289862 661240297 /nfs/dbraw/zinc/24/02/97/661240297.db2.gz LDTRICIFXIZURE-UHFFFAOYSA-N 0 0 350.419 -0.076 20 10 FBCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@H](NC(C)=O)C(N)=O)cc1 ZINC000846445525 661241118 /nfs/dbraw/zinc/24/11/18/661241118.db2.gz ACMALENTSNUYCS-HNNXBMFYSA-N 0 0 350.419 -0.030 20 10 FBCDRN COc1ccc(N(C)CCN(C)C(=O)CNC(=O)CNC(C)=O)cc1 ZINC000846446455 661241130 /nfs/dbraw/zinc/24/11/30/661241130.db2.gz LKJLMGXMLUXLCA-UHFFFAOYSA-N 0 0 350.419 -0.158 20 10 FBCDRN COc1ccc(N(C)CCN(C)C(=O)C(=O)NCCS(C)(=O)=O)cc1 ZINC000846722108 661243591 /nfs/dbraw/zinc/24/35/91/661243591.db2.gz QRZMHHWKNFAZGD-UHFFFAOYSA-N 0 0 371.459 -0.249 20 10 FBCDRN COC[C@@H]1NC(=O)N(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1=O ZINC000849359258 661272138 /nfs/dbraw/zinc/27/21/38/661272138.db2.gz NEJBTSRFTBQDFB-AWEZNQCLSA-N 0 0 367.427 -0.012 20 10 FBCDRN COC[C@H]1NC(=O)N(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1=O ZINC000849359259 661272101 /nfs/dbraw/zinc/27/21/01/661272101.db2.gz NEJBTSRFTBQDFB-CQSZACIVSA-N 0 0 367.427 -0.012 20 10 FBCDRN CO[C@H]1CS(=O)(=O)C[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000849362244 661272116 /nfs/dbraw/zinc/27/21/16/661272116.db2.gz QVJRCWJCRHJKKW-AAEUAGOBSA-N 0 0 354.384 -0.032 20 10 FBCDRN CO[C@@H]1CS(=O)(=O)C[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000849362245 661272155 /nfs/dbraw/zinc/27/21/55/661272155.db2.gz QVJRCWJCRHJKKW-DGCLKSJQSA-N 0 0 354.384 -0.032 20 10 FBCDRN CO[C@@H]1CS(=O)(=O)C[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000849362246 661272139 /nfs/dbraw/zinc/27/21/39/661272139.db2.gz QVJRCWJCRHJKKW-WCQYABFASA-N 0 0 354.384 -0.032 20 10 FBCDRN CO[C@H]1CS(=O)(=O)C[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000849362247 661272098 /nfs/dbraw/zinc/27/20/98/661272098.db2.gz QVJRCWJCRHJKKW-YPMHNXCESA-N 0 0 354.384 -0.032 20 10 FBCDRN CS(=O)(=O)N1CCN(S(=O)(=O)NCCc2ccc(N)cc2)CC1 ZINC000850586646 661282046 /nfs/dbraw/zinc/28/20/46/661282046.db2.gz AZEXXBDEZVBANO-UHFFFAOYSA-N 0 0 362.477 -0.777 20 10 FBCDRN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000850841194 661289913 /nfs/dbraw/zinc/28/99/13/661289913.db2.gz JDCCFTAQPMETHL-UHFFFAOYSA-N 0 0 355.420 -0.842 20 10 FBCDRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)C[C@H]21 ZINC000850850779 661290311 /nfs/dbraw/zinc/29/03/11/661290311.db2.gz GKQLIBVFVBLEBC-XQQFMLRXSA-N 0 0 353.400 -0.522 20 10 FBCDRN CN(C)S(=O)(=O)N1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000851663449 661297457 /nfs/dbraw/zinc/29/74/57/661297457.db2.gz ZQHDUMPEPBHGEL-UHFFFAOYSA-N 0 0 355.464 -0.055 20 10 FBCDRN CC(=O)NCCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000851907601 661302755 /nfs/dbraw/zinc/30/27/55/661302755.db2.gz GOBOQUNSARYEHD-UHFFFAOYSA-N 0 0 368.459 -0.143 20 10 FBCDRN CCNC(=O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000851920686 661302530 /nfs/dbraw/zinc/30/25/30/661302530.db2.gz DGDYARRULARISN-UHFFFAOYSA-N 0 0 368.459 -0.143 20 10 FBCDRN CN(C)C(=O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000851923462 661302603 /nfs/dbraw/zinc/30/26/03/661302603.db2.gz QZJJTFJYMYMVRU-UHFFFAOYSA-N 0 0 368.459 -0.191 20 10 FBCDRN CS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851944962 661302730 /nfs/dbraw/zinc/30/27/30/661302730.db2.gz YJXVYECEYMFUJZ-UHFFFAOYSA-N 0 0 370.475 -0.004 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN[C@@](C)(CO)C(=O)OC)cc2=O ZINC000852159541 661305167 /nfs/dbraw/zinc/30/51/67/661305167.db2.gz NQGMFJGRCYHJHL-HNNXBMFYSA-N 0 0 352.347 -0.375 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN[C@](C)(CO)C(=O)OC)cc2=O ZINC000852159542 661305130 /nfs/dbraw/zinc/30/51/30/661305130.db2.gz NQGMFJGRCYHJHL-OAHLLOKOSA-N 0 0 352.347 -0.375 20 10 FBCDRN CNS(=O)(=O)CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852270651 661305739 /nfs/dbraw/zinc/30/57/39/661305739.db2.gz JEUNYZYDIXIMQN-UHFFFAOYSA-N 0 0 370.475 -0.004 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(O)(CO)CC1)cc2=O ZINC000852499840 661306883 /nfs/dbraw/zinc/30/68/83/661306883.db2.gz ZWIBOXAVYLHXIQ-UHFFFAOYSA-N 0 0 350.375 -0.069 20 10 FBCDRN COC[C@@H](O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000852500437 661306878 /nfs/dbraw/zinc/30/68/78/661306878.db2.gz MLJLLEXCWDUPQQ-HNNXBMFYSA-N 0 0 371.459 -0.272 20 10 FBCDRN COC[C@H](O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000852500438 661306833 /nfs/dbraw/zinc/30/68/33/661306833.db2.gz MLJLLEXCWDUPQQ-OAHLLOKOSA-N 0 0 371.459 -0.272 20 10 FBCDRN CNC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000852500871 661306835 /nfs/dbraw/zinc/30/68/35/661306835.db2.gz SLGFGXXCVSFEJS-LBPRGKRZSA-N 0 0 368.459 -0.145 20 10 FBCDRN COC[C@H](CO)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000852500928 661306910 /nfs/dbraw/zinc/30/69/10/661306910.db2.gz SVDLWACJIZLSDV-AWEZNQCLSA-N 0 0 371.459 -0.272 20 10 FBCDRN COC[C@@H](CO)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000852500929 661306774 /nfs/dbraw/zinc/30/67/74/661306774.db2.gz SVDLWACJIZLSDV-CQSZACIVSA-N 0 0 371.459 -0.272 20 10 FBCDRN CN1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O ZINC000852501311 661306768 /nfs/dbraw/zinc/30/67/68/661306768.db2.gz ZGIFZPPDNUQYJD-UHFFFAOYSA-N 0 0 366.443 -0.138 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(CO)(CO)C1)cc2=O ZINC000852630696 661307355 /nfs/dbraw/zinc/30/73/55/661307355.db2.gz WWZOJKXBPKJTJQ-UHFFFAOYSA-N 0 0 350.375 -0.212 20 10 FBCDRN CNC(=O)CCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000853458762 661316270 /nfs/dbraw/zinc/31/62/70/661316270.db2.gz SMHHFAVPBGPAJA-UHFFFAOYSA-N 0 0 368.459 -0.143 20 10 FBCDRN COc1ccc(N2CCN(C(=O)CN3CCCNS3(=O)=O)CC2)cc1 ZINC000853710978 661317960 /nfs/dbraw/zinc/31/79/60/661317960.db2.gz HAZDUYVXMRCBCH-UHFFFAOYSA-N 0 0 368.459 -0.116 20 10 FBCDRN CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cccc(O)c1O ZINC000854383091 661323558 /nfs/dbraw/zinc/32/35/58/661323558.db2.gz VPFANZNMCACKGX-LLVKDONJSA-N 0 0 352.343 -0.382 20 10 FBCDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cccc(O)c1O ZINC000854383092 661323491 /nfs/dbraw/zinc/32/34/91/661323491.db2.gz VPFANZNMCACKGX-NSHDSACASA-N 0 0 352.343 -0.382 20 10 FBCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CNS(=O)(=O)N(C)C ZINC000854987997 661335530 /nfs/dbraw/zinc/33/55/30/661335530.db2.gz NVPBWGCOBMAFAC-UHFFFAOYSA-N 0 0 373.431 -0.320 20 10 FBCDRN COc1ccc(N(C)CCN(C)C(=O)CNS(=O)(=O)N(C)C)cc1 ZINC000855021053 661336002 /nfs/dbraw/zinc/33/60/02/661336002.db2.gz YNYBZOTWHYDUCO-UHFFFAOYSA-N 0 0 358.464 -0.014 20 10 FBCDRN COc1ccc(N2CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C2)cc1 ZINC000855227484 661337253 /nfs/dbraw/zinc/33/72/53/661337253.db2.gz XAAMRCUSVJAWAL-GFCCVEGCSA-N 0 0 356.448 -0.214 20 10 FBCDRN COc1ccc(N2CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C2)cc1 ZINC000855227486 661337261 /nfs/dbraw/zinc/33/72/61/661337261.db2.gz XAAMRCUSVJAWAL-LBPRGKRZSA-N 0 0 356.448 -0.214 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1COC(=O)N1 ZINC000855396534 661338230 /nfs/dbraw/zinc/33/82/30/661338230.db2.gz MNZRTJWQLFDIQM-CYBMUJFWSA-N 0 0 353.400 -0.354 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1COC(=O)N1 ZINC000855396535 661338368 /nfs/dbraw/zinc/33/83/68/661338368.db2.gz MNZRTJWQLFDIQM-ZDUSSCGKSA-N 0 0 353.400 -0.354 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@]1(O)CCOC1 ZINC000855396591 661338196 /nfs/dbraw/zinc/33/81/96/661338196.db2.gz OVMDVMGPFOSVIW-INIZCTEOSA-N 0 0 354.428 -0.311 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@]1(O)CCOC1 ZINC000855396592 661338246 /nfs/dbraw/zinc/33/82/46/661338246.db2.gz OVMDVMGPFOSVIW-MRXNPFEDSA-N 0 0 354.428 -0.311 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@]2(OCCO)CCOC2)c1 ZINC000855405157 661338595 /nfs/dbraw/zinc/33/85/95/661338595.db2.gz BEJCBYLGRAGUOG-HNNXBMFYSA-N 0 0 374.415 -0.339 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@]2(OCCO)CCOC2)c1 ZINC000855405158 661338711 /nfs/dbraw/zinc/33/87/11/661338711.db2.gz BEJCBYLGRAGUOG-OAHLLOKOSA-N 0 0 374.415 -0.339 20 10 FBCDRN COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000855450095 661339503 /nfs/dbraw/zinc/33/95/03/661339503.db2.gz YYPKSFNRQVSHQB-CMPLNLGQSA-N 0 0 358.372 -0.176 20 10 FBCDRN COCc1n[nH]c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1 ZINC000855518862 661342587 /nfs/dbraw/zinc/34/25/87/661342587.db2.gz TYQSASDRGDYZHP-UHFFFAOYSA-N 0 0 355.376 -0.042 20 10 FBCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](C)O)CC2)cc1 ZINC000855581613 661343378 /nfs/dbraw/zinc/34/33/78/661343378.db2.gz HBKZPJYWNZFVRP-CYBMUJFWSA-N 0 0 371.459 -0.356 20 10 FBCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H](C)O)CC2)cc1 ZINC000855581614 661343499 /nfs/dbraw/zinc/34/34/99/661343499.db2.gz HBKZPJYWNZFVRP-ZDUSSCGKSA-N 0 0 371.459 -0.356 20 10 FBCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CO)CC2)cc1 ZINC000855581846 661343633 /nfs/dbraw/zinc/34/36/33/661343633.db2.gz OYWNNDJWOMBTAS-UHFFFAOYSA-N 0 0 357.432 -0.745 20 10 FBCDRN COCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000855581879 661343606 /nfs/dbraw/zinc/34/36/06/661343606.db2.gz PWZYIBDLBHIHBF-UHFFFAOYSA-N 0 0 371.459 -0.090 20 10 FBCDRN CNS(=O)(=O)NCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213348 661350145 /nfs/dbraw/zinc/35/01/45/661350145.db2.gz ILKJJOOZFCYRCR-UHFFFAOYSA-N 0 0 356.448 -0.682 20 10 FBCDRN CN(C)S(=O)(=O)NCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856215055 661350104 /nfs/dbraw/zinc/35/01/04/661350104.db2.gz HUYJWKSTZNJWCA-UHFFFAOYSA-N 0 0 370.475 -0.340 20 10 FBCDRN COCCN1C(=O)C(=CNNc2ncc(Cl)cn2)C(=O)NC1=S ZINC000856720084 661353609 /nfs/dbraw/zinc/35/36/09/661353609.db2.gz ZVJPEUCHYYJVRV-SOFGYWHQSA-N 0 0 356.795 -0.180 20 10 FBCDRN COCCN1C(=O)C(=CNNc2ncc(Cl)cn2)C(=O)NC1=S ZINC000856720085 661353484 /nfs/dbraw/zinc/35/34/84/661353484.db2.gz ZVJPEUCHYYJVRV-VURMDHGXSA-N 0 0 356.795 -0.180 20 10 FBCDRN Cn1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(=O)n(C)c1=O ZINC000857509708 661360056 /nfs/dbraw/zinc/36/00/56/661360056.db2.gz QSDIGJRUAFJCSO-UHFFFAOYSA-N 0 0 368.371 -0.587 20 10 FBCDRN Cn1nccc1[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000857535678 661359981 /nfs/dbraw/zinc/35/99/81/661359981.db2.gz FSRNEQVEAIQKDU-LLVKDONJSA-N 0 0 354.388 -0.039 20 10 FBCDRN Cn1nccc1[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000857535679 661359853 /nfs/dbraw/zinc/35/98/53/661359853.db2.gz FSRNEQVEAIQKDU-NSHDSACASA-N 0 0 354.388 -0.039 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000857536260 661360047 /nfs/dbraw/zinc/36/00/47/661360047.db2.gz NQBZFTYSHVEADS-JTQLQIEISA-N 0 0 355.376 -0.854 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000857536261 661359906 /nfs/dbraw/zinc/35/99/06/661359906.db2.gz NQBZFTYSHVEADS-SNVBAGLBSA-N 0 0 355.376 -0.854 20 10 FBCDRN COCCNC(=O)C1(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000857536296 661359889 /nfs/dbraw/zinc/35/98/89/661359889.db2.gz OSIAGCGSQBWHPU-UHFFFAOYSA-N 0 0 371.415 -0.211 20 10 FBCDRN COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C1=CC(=O)CS1 ZINC000857725659 661360615 /nfs/dbraw/zinc/36/06/15/661360615.db2.gz GIIYOAMFVRICKE-CBAPKCEASA-N 0 0 353.356 -0.238 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H]1COC(=O)N1)cc2=O ZINC000859910402 661380381 /nfs/dbraw/zinc/38/03/81/661380381.db2.gz AVCUEWHKPFFJRW-VIFPVBQESA-N 0 0 350.287 -0.237 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CCC(NS(N)(=O)=O)CC2)cc1 ZINC000859958430 661381151 /nfs/dbraw/zinc/38/11/51/661381151.db2.gz TUGMGSNHTHUZHL-UHFFFAOYSA-N 0 0 369.491 -0.374 20 10 FBCDRN Nc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000861509501 661394475 /nfs/dbraw/zinc/39/44/75/661394475.db2.gz LYKFUNFLGPEGAY-UHFFFAOYSA-N 0 0 352.416 -0.156 20 10 FBCDRN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000861545761 661394902 /nfs/dbraw/zinc/39/49/02/661394902.db2.gz AJHKNDOIDJNZJG-LLVKDONJSA-N 0 0 354.432 -0.005 20 10 FBCDRN CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000861545762 661394950 /nfs/dbraw/zinc/39/49/50/661394950.db2.gz AJHKNDOIDJNZJG-NSHDSACASA-N 0 0 354.432 -0.005 20 10 FBCDRN CS(=O)(=O)NC[C@H]1COCCN1C(=O)NCCc1ccc(N)cc1 ZINC000861641144 661395654 /nfs/dbraw/zinc/39/56/54/661395654.db2.gz QBDBNEWAIQGDAZ-AWEZNQCLSA-N 0 0 356.448 -0.229 20 10 FBCDRN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NCCc1ccc(N)cc1 ZINC000861641153 661395664 /nfs/dbraw/zinc/39/56/64/661395664.db2.gz QBDBNEWAIQGDAZ-CQSZACIVSA-N 0 0 356.448 -0.229 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NN2CCS(=O)(=O)CC2)c1 ZINC000862734858 661412359 /nfs/dbraw/zinc/41/23/59/661412359.db2.gz QLDRMDKNJLOOOX-UHFFFAOYSA-N 0 0 363.417 -0.861 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(NS(C)(=O)=O)C2)c1 ZINC000862841014 661414661 /nfs/dbraw/zinc/41/46/61/661414661.db2.gz CPMHYYZHIKCVGU-UHFFFAOYSA-N 0 0 363.417 -0.863 20 10 FBCDRN CNS(=O)(=O)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000863432546 661421458 /nfs/dbraw/zinc/42/14/58/661421458.db2.gz YHSTYOVANMBRRB-UHFFFAOYSA-N 0 0 365.433 -0.567 20 10 FBCDRN CN(C)S(=O)(=O)N1CC(N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000863534607 661422491 /nfs/dbraw/zinc/42/24/91/661422491.db2.gz OTMVXGPPPXLMHP-UHFFFAOYSA-N 0 0 368.415 -0.353 20 10 FBCDRN CS(=O)(=O)NC[C@H]1COCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000863554419 661423964 /nfs/dbraw/zinc/42/39/64/661423964.db2.gz YULANFLTBPGGHA-FHMRSRPSSA-N 0 0 356.400 -0.112 20 10 FBCDRN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000863554421 661423965 /nfs/dbraw/zinc/42/39/65/661423965.db2.gz YULANFLTBPGGHA-OGOUPESXSA-N 0 0 356.400 -0.112 20 10 FBCDRN CS(=O)(=O)NC[C@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000863554422 661423954 /nfs/dbraw/zinc/42/39/54/661423954.db2.gz YULANFLTBPGGHA-PYEVWLCESA-N 0 0 356.400 -0.112 20 10 FBCDRN COc1ccc(N2CCN(CCNC(=O)C3CS(=O)(=O)C3)CC2)cc1 ZINC000865034743 661436543 /nfs/dbraw/zinc/43/65/43/661436543.db2.gz ZRNQMCLBVVGVDK-UHFFFAOYSA-N 0 0 367.471 -0.022 20 10 FBCDRN COc1ccc(N2CCN(C(=O)C(=O)N(C)CCO)CC2)c(OC)c1 ZINC000867276836 661183796 /nfs/dbraw/zinc/18/37/96/661183796.db2.gz AQLMEAKURIMPDB-UHFFFAOYSA-N 0 0 351.403 -0.197 20 10 FBCDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000867691096 661460982 /nfs/dbraw/zinc/46/09/82/661460982.db2.gz RCNBVOIVCOCXLH-UHFFFAOYSA-N 0 0 361.445 -0.470 20 10 FBCDRN CNS(=O)(=O)CC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000870164893 661484001 /nfs/dbraw/zinc/48/40/01/661484001.db2.gz FZSQWJINLVIAMP-UHFFFAOYSA-N 0 0 357.432 -0.098 20 10 FBCDRN O=C(CN1CCOC1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000874097790 661507795 /nfs/dbraw/zinc/50/77/95/661507795.db2.gz MHDAGTHIXNEBKE-UHFFFAOYSA-N 0 0 367.427 -0.010 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2COCCN2C)cc1F ZINC000875140940 661514905 /nfs/dbraw/zinc/51/49/05/661514905.db2.gz JHFIQJYDIZCYAT-CYBMUJFWSA-N 0 0 352.410 -0.045 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2COCCN2C)cc1F ZINC000875140943 661514857 /nfs/dbraw/zinc/51/48/57/661514857.db2.gz JHFIQJYDIZCYAT-ZDUSSCGKSA-N 0 0 352.410 -0.045 20 10 FBCDRN CS(=O)(=O)NC1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000875140984 661515063 /nfs/dbraw/zinc/51/50/63/661515063.db2.gz JWBVLOPENZQHPP-UHFFFAOYSA-N 0 0 368.459 -0.034 20 10 FBCDRN CS(=O)(=O)N1CCN(CCNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875188364 661516063 /nfs/dbraw/zinc/51/60/63/661516063.db2.gz YZINGCSSMZULIC-UHFFFAOYSA-N 0 0 368.459 -0.005 20 10 FBCDRN CNC(=O)CN(CC(=O)NC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000877837468 661542526 /nfs/dbraw/zinc/54/25/26/661542526.db2.gz CDJIISNNYSVOMR-UHFFFAOYSA-N 0 0 352.410 -0.044 20 10 FBCDRN COc1ccc(N2CCN(C(=O)CN(C)CCS(N)(=O)=O)CC2)cc1 ZINC000880080851 661555027 /nfs/dbraw/zinc/55/50/27/661555027.db2.gz GLJFNXJSDGQVRM-UHFFFAOYSA-N 0 0 370.475 -0.436 20 10 FBCDRN Cn1nnn(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1=O ZINC000882230609 661569405 /nfs/dbraw/zinc/56/94/05/661569405.db2.gz XHDYTHSXHBUIFR-UHFFFAOYSA-N 0 0 350.354 -0.731 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCOCCN1 ZINC000895708262 659037975 /nfs/dbraw/zinc/03/79/75/659037975.db2.gz PPOAWELSVRPTRZ-UHFFFAOYSA-N 0 0 368.459 -0.032 20 10 FBCDRN O=S1(=O)NC[C@H]2CN(Cc3ccc(N4CCC(O)CC4)cc3)CCN21 ZINC000897275408 659878613 /nfs/dbraw/zinc/87/86/13/659878613.db2.gz NABYOOJUVKKFIX-INIZCTEOSA-N 0 0 366.487 -0.018 20 10 FBCDRN O=S1(=O)NC[C@@H]2CN(Cc3ccc(N4CCC(O)CC4)cc3)CCN21 ZINC000897275409 659878781 /nfs/dbraw/zinc/87/87/81/659878781.db2.gz NABYOOJUVKKFIX-MRXNPFEDSA-N 0 0 366.487 -0.018 20 10 FBCDRN O=S1(=O)NC[C@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)CCN21 ZINC000897284696 659879835 /nfs/dbraw/zinc/87/98/35/659879835.db2.gz PPDJBQKKRVNDLA-AWEZNQCLSA-N 0 0 370.450 -0.004 20 10 FBCDRN O=S1(=O)NC[C@@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)CCN21 ZINC000897284698 659879884 /nfs/dbraw/zinc/87/98/84/659879884.db2.gz PPDJBQKKRVNDLA-CQSZACIVSA-N 0 0 370.450 -0.004 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)NCCN2CCNC2=O)cc1F ZINC000897582078 659968798 /nfs/dbraw/zinc/96/87/98/659968798.db2.gz YAVBEQFRNSUGFG-UHFFFAOYSA-N 0 0 351.382 -0.351 20 10 FBCDRN COCCO[N-]C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898323726 659979093 /nfs/dbraw/zinc/97/90/93/659979093.db2.gz VBIQLJUTGUNTHM-UHFFFAOYSA-N 0 0 350.419 -0.251 20 10 FBCDRN COc1ccc(N2CCN(C(=O)CN3CCNC(=O)C3)CC2)cc1F ZINC000900996427 662294097 /nfs/dbraw/zinc/29/40/97/662294097.db2.gz ADMMYHGSEKSMFV-UHFFFAOYSA-N 0 0 350.394 -0.085 20 10 FBCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN1CCNC(=O)C1 ZINC000901327400 662307933 /nfs/dbraw/zinc/30/79/33/662307933.db2.gz PINHSAVFPLSEGW-UHFFFAOYSA-N 0 0 369.805 -0.021 20 10 FBCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCO)CC2)cc1 ZINC000902953361 662330610 /nfs/dbraw/zinc/33/06/10/662330610.db2.gz UZLBKKLWYABEAX-UHFFFAOYSA-N 0 0 371.459 -0.354 20 10 FBCDRN CO[N-]C(=O)C[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000905586297 660017988 /nfs/dbraw/zinc/01/79/88/660017988.db2.gz BYHZGUDLJYEUIM-HNNXBMFYSA-N 0 0 352.435 -0.555 20 10 FBCDRN CO[N-]C(=O)C[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000905586300 660017913 /nfs/dbraw/zinc/01/79/13/660017913.db2.gz BYHZGUDLJYEUIM-OAHLLOKOSA-N 0 0 352.435 -0.555 20 10 FBCDRN O=C(CO)NCCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000909855150 660038696 /nfs/dbraw/zinc/03/86/96/660038696.db2.gz CWDKLVHKUDDTPT-UHFFFAOYSA-N 0 0 357.357 -0.084 20 10 FBCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N[C@@H]1CNOC1 ZINC000911247185 660066064 /nfs/dbraw/zinc/06/60/64/660066064.db2.gz MWPCHHFEEYKKOE-GFCCVEGCSA-N 0 0 352.366 -0.702 20 10 FBCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N[C@H]1CNOC1 ZINC000911247186 660066051 /nfs/dbraw/zinc/06/60/51/660066051.db2.gz MWPCHHFEEYKKOE-LBPRGKRZSA-N 0 0 352.366 -0.702 20 10 FBCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H]1CNOC1 ZINC000911251892 660066183 /nfs/dbraw/zinc/06/61/83/660066183.db2.gz ZSLWVRSKZUEBRG-CYBMUJFWSA-N 0 0 350.444 -0.124 20 10 FBCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@H]1CNOC1 ZINC000911251894 660066276 /nfs/dbraw/zinc/06/62/76/660066276.db2.gz ZSLWVRSKZUEBRG-ZDUSSCGKSA-N 0 0 350.444 -0.124 20 10 FBCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCCCON ZINC000911506492 660078665 /nfs/dbraw/zinc/07/86/65/660078665.db2.gz LOEHFBCLHXWJLG-UHFFFAOYSA-N 0 0 350.419 -0.122 20 10 FBCDRN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCCON)[NH+](C)C)cc1 ZINC000911515952 660078670 /nfs/dbraw/zinc/07/86/70/660078670.db2.gz JCGGWVHBDQCVME-HNNXBMFYSA-N 0 0 351.451 -0.132 20 10 FBCDRN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCCON)[NH+](C)C)cc1 ZINC000911515953 660078803 /nfs/dbraw/zinc/07/88/03/660078803.db2.gz JCGGWVHBDQCVME-OAHLLOKOSA-N 0 0 351.451 -0.132 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(N3CCOCC3)C2)c1 ZINC000911646049 660080421 /nfs/dbraw/zinc/08/04/21/660080421.db2.gz QNLZWKVTVWCUMS-UHFFFAOYSA-N 0 0 355.416 -0.080 20 10 FBCDRN COc1ccc(N2CCN(C(=O)CCNC(=O)CO)CC2)c(OC)c1 ZINC000913482368 660098895 /nfs/dbraw/zinc/09/88/95/660098895.db2.gz NHAWNPMDFVOLSC-UHFFFAOYSA-N 0 0 351.403 -0.149 20 10 FBCDRN CN(C)c1ccc(CNC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000913927041 660123336 /nfs/dbraw/zinc/12/33/36/660123336.db2.gz SKVFHBFWMMMAEG-AWEZNQCLSA-N 0 0 353.448 -0.204 20 10 FBCDRN CN(C)c1ccc(CNC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000913927042 660123310 /nfs/dbraw/zinc/12/33/10/660123310.db2.gz SKVFHBFWMMMAEG-CQSZACIVSA-N 0 0 353.448 -0.204 20 10 FBCDRN O=S(=O)(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1COC[C@H]1O ZINC000913943184 660123727 /nfs/dbraw/zinc/12/37/27/660123727.db2.gz LJLZJEMQTPRTAH-HUUCEWRRSA-N 0 0 360.407 -0.159 20 10 FBCDRN O=S(=O)(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1COC[C@H]1O ZINC000914144668 660127708 /nfs/dbraw/zinc/12/77/08/660127708.db2.gz FPKUHEOXPHQCSM-HZPDHXFCSA-N 0 0 374.434 -0.034 20 10 FBCDRN CN(C)c1ccc(CNC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1F ZINC000915367256 660151742 /nfs/dbraw/zinc/15/17/42/660151742.db2.gz YBURFACGMSICEL-GFCCVEGCSA-N 0 0 371.438 -0.065 20 10 FBCDRN CN(C)c1ccc(CNC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1F ZINC000915367257 660151726 /nfs/dbraw/zinc/15/17/26/660151726.db2.gz YBURFACGMSICEL-LBPRGKRZSA-N 0 0 371.438 -0.065 20 10 FBCDRN O=S(=O)(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1COC[C@H]1O ZINC000917704327 660192620 /nfs/dbraw/zinc/19/26/20/660192620.db2.gz IRTQSVOGCASSSU-HZPDHXFCSA-N 0 0 356.444 -0.173 20 10 FBCDRN NS(=O)(=O)CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000918214033 660195257 /nfs/dbraw/zinc/19/52/57/660195257.db2.gz UEIFNLDRUOBLMI-UHFFFAOYSA-N 0 0 374.438 -0.126 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1COCCO1 ZINC000918338198 660195640 /nfs/dbraw/zinc/19/56/40/660195640.db2.gz XZEUEFLIKLXOIW-HNNXBMFYSA-N 0 0 354.428 -0.047 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1COCCO1 ZINC000918338199 660195681 /nfs/dbraw/zinc/19/56/81/660195681.db2.gz XZEUEFLIKLXOIW-OAHLLOKOSA-N 0 0 354.428 -0.047 20 10 FBCDRN COc1ccc(N2CCN(S(=O)(=O)[C@@H]3COC[C@H]3O)CC2)c(OC)c1 ZINC000919051851 660200120 /nfs/dbraw/zinc/20/01/20/660200120.db2.gz REFWAWNUGKCVRA-GDBMZVCRSA-N 0 0 372.443 -0.085 20 10 FBCDRN COC(=O)NCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000919749887 660205085 /nfs/dbraw/zinc/20/50/85/660205085.db2.gz DBKMIKCRHOULRK-UHFFFAOYSA-N 0 0 355.416 -0.106 20 10 FBCDRN CNC(=O)CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000919812945 660205649 /nfs/dbraw/zinc/20/56/49/660205649.db2.gz OSXYZSWLTPMCGM-UHFFFAOYSA-N 0 0 370.431 -0.733 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cnn(CC(N)=O)c2)c1 ZINC000919815698 660205451 /nfs/dbraw/zinc/20/54/51/660205451.db2.gz USMPLNVGNHHNJV-UHFFFAOYSA-N 0 0 353.360 -0.302 20 10 FBCDRN CNC(=O)Cn1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1 ZINC000919819699 660205655 /nfs/dbraw/zinc/20/56/55/660205655.db2.gz XYIAGUWHEBNVHI-UHFFFAOYSA-N 0 0 367.387 -0.042 20 10 FBCDRN CN(CC(=O)N1CCOCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000920434011 660209302 /nfs/dbraw/zinc/20/93/02/660209302.db2.gz WVFDVRMHXHDDIK-UHFFFAOYSA-N 0 0 371.415 -0.306 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CS(C)(=O)=O)cc2=O ZINC000920593631 660210527 /nfs/dbraw/zinc/21/05/27/660210527.db2.gz TXRXJTJGPHAJIR-UHFFFAOYSA-N 0 0 357.344 -0.301 20 10 FBCDRN COc1ccc(N2CCN(C(=O)COC(=O)CS(C)(=O)=O)CC2)cc1 ZINC000920596803 660210835 /nfs/dbraw/zinc/21/08/35/660210835.db2.gz YQJPOTISWWJSJK-UHFFFAOYSA-N 0 0 370.427 -0.068 20 10 FBCDRN COC(=O)CCNC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000920636411 660211073 /nfs/dbraw/zinc/21/10/73/660211073.db2.gz UJJLJXWBYHHFRI-UHFFFAOYSA-N 0 0 374.371 -0.400 20 10 FBCDRN COC(=O)CNC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000920637068 660211095 /nfs/dbraw/zinc/21/10/95/660211095.db2.gz YSVPRHYKISHISD-UHFFFAOYSA-N 0 0 360.344 -0.790 20 10 FBCDRN COC(=O)CNC(=O)[C@H](C)OC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000920637136 660211061 /nfs/dbraw/zinc/21/10/61/660211061.db2.gz AHKYCOAGYMFYQE-QMMMGPOBSA-N 0 0 374.371 -0.402 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NC(=O)NC2CC2)c1 ZINC000920637597 660211085 /nfs/dbraw/zinc/21/10/85/660211085.db2.gz KPWBZFMXPJSTGU-UHFFFAOYSA-N 0 0 371.371 -0.091 20 10 FBCDRN O=C(Cn1cnnn1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000920739609 660211323 /nfs/dbraw/zinc/21/13/23/660211323.db2.gz OPAPYHFETKFAKB-UHFFFAOYSA-N 0 0 350.404 -0.776 20 10 FBCDRN Cc1cc(NC=C2C(=O)NC(=S)NC2=O)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000920979852 660212239 /nfs/dbraw/zinc/21/22/39/660212239.db2.gz KLRZRAWWSJSZKD-MRVPVSSYSA-N 0 0 369.428 -0.622 20 10 FBCDRN Cc1cc(NC=C2C(=O)NC(=S)NC2=O)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000920979853 660212258 /nfs/dbraw/zinc/21/22/58/660212258.db2.gz KLRZRAWWSJSZKD-QMMMGPOBSA-N 0 0 369.428 -0.622 20 10 FBCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)CC2)cc1 ZINC000929249908 661664001 /nfs/dbraw/zinc/66/40/01/661664001.db2.gz LUQPAOOOZKJLRJ-AWEZNQCLSA-N 0 0 367.427 -0.743 20 10 FBCDRN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC[S@](C)=O)N(C)C)cc1 ZINC000930022298 661673896 /nfs/dbraw/zinc/67/38/96/661673896.db2.gz WGWIUELQRRHQMU-BZQUYTCOSA-N 0 0 368.503 -0.034 20 10 FBCDRN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC[S@](C)=O)N(C)C)cc1 ZINC000930022299 661673955 /nfs/dbraw/zinc/67/39/55/661673955.db2.gz WGWIUELQRRHQMU-MQNRADLISA-N 0 0 368.503 -0.034 20 10 FBCDRN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC[S@@](C)=O)N(C)C)cc1 ZINC000930022300 661673933 /nfs/dbraw/zinc/67/39/33/661673933.db2.gz WGWIUELQRRHQMU-ODCWNRFASA-N 0 0 368.503 -0.034 20 10 FBCDRN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC[S@@](C)=O)N(C)C)cc1 ZINC000930022301 661673919 /nfs/dbraw/zinc/67/39/19/661673919.db2.gz WGWIUELQRRHQMU-SGANQWHYSA-N 0 0 368.503 -0.034 20 10 FBCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000930202487 661676332 /nfs/dbraw/zinc/67/63/32/661676332.db2.gz RLBPBEVCXNJZMR-AWEZNQCLSA-N 0 0 351.428 -0.184 20 10 FBCDRN COC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CS(=O)(=O)C1 ZINC000930523584 661679935 /nfs/dbraw/zinc/67/99/35/661679935.db2.gz PRNDIFNHBKDRDL-UHFFFAOYSA-N 0 0 354.428 -0.047 20 10 FBCDRN COc1ccc(N2CCN(C(=O)CN3CC(S(N)(=O)=O)C3)CC2)cc1 ZINC000930724513 661681712 /nfs/dbraw/zinc/68/17/12/661681712.db2.gz NOYPQWWVXNDEHV-UHFFFAOYSA-N 0 0 368.459 -0.684 20 10 FBCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)ccc21 ZINC000931152519 661686805 /nfs/dbraw/zinc/68/68/05/661686805.db2.gz UVYBOYDOIUOKHS-ZDUSSCGKSA-N 0 0 351.428 -0.402 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)cc1 ZINC000932311620 661704501 /nfs/dbraw/zinc/70/45/01/661704501.db2.gz CUCDOADCWYEYGD-INIZCTEOSA-N 0 0 369.487 -0.150 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CCS(=O)(=O)C[C@H]2CCO)cc1 ZINC000932311621 661704431 /nfs/dbraw/zinc/70/44/31/661704431.db2.gz CUCDOADCWYEYGD-MRXNPFEDSA-N 0 0 369.487 -0.150 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000932956464 661713777 /nfs/dbraw/zinc/71/37/77/661713777.db2.gz SJWZSGWKXZCMLE-AWEZNQCLSA-N 0 0 354.476 -0.021 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000932956465 661714004 /nfs/dbraw/zinc/71/40/04/661714004.db2.gz SJWZSGWKXZCMLE-CQSZACIVSA-N 0 0 354.476 -0.021 20 10 FBCDRN O=S1(=O)NC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCN21 ZINC000933093670 661716279 /nfs/dbraw/zinc/71/62/79/661716279.db2.gz NPXFSZSFOVFUAI-INIZCTEOSA-N 0 0 352.460 -0.143 20 10 FBCDRN O=S1(=O)NC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCN21 ZINC000933093671 661716128 /nfs/dbraw/zinc/71/61/28/661716128.db2.gz NPXFSZSFOVFUAI-MRXNPFEDSA-N 0 0 352.460 -0.143 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000933100075 661716477 /nfs/dbraw/zinc/71/64/77/661716477.db2.gz KRHRMNIQHZTYNL-HNNXBMFYSA-N 0 0 367.475 -0.797 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000933100076 661716517 /nfs/dbraw/zinc/71/65/17/661716517.db2.gz KRHRMNIQHZTYNL-OAHLLOKOSA-N 0 0 367.475 -0.797 20 10 FBCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000933815258 657473510 /nfs/dbraw/zinc/47/35/10/657473510.db2.gz OUXTYDFBRJYYEV-NSHDSACASA-N 0 0 353.400 -0.609 20 10 FBCDRN COc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc(OC)n1 ZINC000996369364 660361000 /nfs/dbraw/zinc/36/10/00/660361000.db2.gz UVZBDNQTOKPGKF-GHMZBOCLSA-N 0 0 350.331 -0.295 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCC2CS(=O)(=O)C2)c1 ZINC001116725131 842972225 /nfs/dbraw/zinc/97/22/25/842972225.db2.gz QXGOQBRDRBKKCH-UHFFFAOYSA-N 0 0 362.429 -0.072 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2nnc3n2CCOC3)c1 ZINC001116750153 842976479 /nfs/dbraw/zinc/97/64/79/842976479.db2.gz LODJLXMLXXIPHX-UHFFFAOYSA-N 0 0 367.387 -0.185 20 10 FBCDRN COc1ccc(N2CCN(C(=O)C(=O)NCC[S@@](C)=O)CC2)cc1F ZINC001117278138 843060606 /nfs/dbraw/zinc/06/06/06/843060606.db2.gz JEGAJUQLCICDBQ-RUZDIDTESA-N 0 0 371.434 -0.022 20 10 FBCDRN COc1ccc(N2CCN(C(=O)C(=O)NCC[S@](C)=O)CC2)cc1F ZINC001117278139 843060578 /nfs/dbraw/zinc/06/05/78/843060578.db2.gz JEGAJUQLCICDBQ-VWLOTQADSA-N 0 0 371.434 -0.022 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001117312293 843067482 /nfs/dbraw/zinc/06/74/82/843067482.db2.gz RKBTUXPHVPCDKS-UHFFFAOYSA-N 0 0 355.416 -0.453 20 10 FBCDRN CS(=O)(=O)NCCNC(=O)C(=O)NCCCSc1nccs1 ZINC001117321405 843072107 /nfs/dbraw/zinc/07/21/07/843072107.db2.gz WVEWZKQFKLZECP-UHFFFAOYSA-N 0 0 366.490 -0.593 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCCOCCS(C)(=O)=O ZINC001117490151 843110639 /nfs/dbraw/zinc/11/06/39/843110639.db2.gz HWIWQMJJTVRUMA-UHFFFAOYSA-N 0 0 358.416 -0.472 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)NCCC2CS(=O)(=O)C2)cc1 ZINC001117606932 843136382 /nfs/dbraw/zinc/13/63/82/843136382.db2.gz DXXADYQFRPIVKO-UHFFFAOYSA-N 0 0 353.444 -0.080 20 10 FBCDRN C[C@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)CCN1S(C)(=O)=O ZINC001117980135 843182716 /nfs/dbraw/zinc/18/27/16/843182716.db2.gz DRHQXTJBBVBIOP-LBPRGKRZSA-N 0 0 368.459 -0.580 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001118278728 843231990 /nfs/dbraw/zinc/23/19/90/843231990.db2.gz JZSCCZOZDIQYST-CYBMUJFWSA-N 0 0 368.459 -0.481 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001118278729 843231698 /nfs/dbraw/zinc/23/16/98/843231698.db2.gz JZSCCZOZDIQYST-ZDUSSCGKSA-N 0 0 368.459 -0.481 20 10 FBCDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(N)cc1 ZINC001118281686 843232470 /nfs/dbraw/zinc/23/24/70/843232470.db2.gz MDTSLUFMEBCCMK-AWEZNQCLSA-N 0 0 353.444 -0.037 20 10 FBCDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(N)cc1 ZINC001118281690 843232660 /nfs/dbraw/zinc/23/26/60/843232660.db2.gz MDTSLUFMEBCCMK-CQSZACIVSA-N 0 0 353.444 -0.037 20 10 FBCDRN CCON(C)C(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001118459377 843270754 /nfs/dbraw/zinc/27/07/54/843270754.db2.gz BJQVCXXNVACPLR-UHFFFAOYSA-N 0 0 369.443 -0.053 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1CCNC1=O ZINC001118563128 843297129 /nfs/dbraw/zinc/29/71/29/843297129.db2.gz JATHVVLIXZQAFO-AWEZNQCLSA-N 0 0 366.443 -0.391 20 10 FBCDRN NC(=O)CCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001118585906 843301611 /nfs/dbraw/zinc/30/16/11/843301611.db2.gz MAPQBGMFRNVBMR-UHFFFAOYSA-N 0 0 354.432 -0.404 20 10 FBCDRN NC(=O)NC1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001118720468 843330824 /nfs/dbraw/zinc/33/08/24/843330824.db2.gz DAGWUZWZDQOWAO-UHFFFAOYSA-N 0 0 366.443 -0.262 20 10 FBCDRN C[C@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC(N)=O ZINC001118775042 843342754 /nfs/dbraw/zinc/34/27/54/843342754.db2.gz XIIOEAMJGVILBP-GFCCVEGCSA-N 0 0 368.459 -0.016 20 10 FBCDRN C[C@@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC(N)=O ZINC001118775045 843342301 /nfs/dbraw/zinc/34/23/01/843342301.db2.gz XIIOEAMJGVILBP-LBPRGKRZSA-N 0 0 368.459 -0.016 20 10 FBCDRN C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCN1S(C)(=O)=O ZINC001119022538 843395076 /nfs/dbraw/zinc/39/50/76/843395076.db2.gz FTZOQHXAQGFSPN-LLVKDONJSA-N 0 0 367.427 -0.273 20 10 FBCDRN COC(=O)C1(O)CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC001119115877 843410709 /nfs/dbraw/zinc/41/07/09/843410709.db2.gz RSSXKUQEDXYATF-UHFFFAOYSA-N 0 0 353.350 -0.746 20 10 FBCDRN CNS(=O)(=O)CCCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001119212752 843426426 /nfs/dbraw/zinc/42/64/26/843426426.db2.gz XBFMGMVASIEZBN-UHFFFAOYSA-N 0 0 370.475 -0.234 20 10 FBCDRN C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001119458693 843448555 /nfs/dbraw/zinc/44/85/55/843448555.db2.gz BLOUFPBDVXCSIV-RISCZKNCSA-N 0 0 353.444 -0.082 20 10 FBCDRN CN(C)c1ccc(CNC(=O)CN2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC001119617092 843463978 /nfs/dbraw/zinc/46/39/78/843463978.db2.gz IEIKDBGWRURSKN-CVEARBPZSA-N 0 0 366.487 -0.560 20 10 FBCDRN CN1CCN(S(=O)(=O)N2CCN(Cc3ccc(N)cc3)CC2)CC1 ZINC001120268800 843522712 /nfs/dbraw/zinc/52/27/12/843522712.db2.gz JMOXLNGYTCHOPI-UHFFFAOYSA-N 0 0 353.492 -0.121 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F ZINC001120282511 843526401 /nfs/dbraw/zinc/52/64/01/843526401.db2.gz UTQJVTZKRRMVMU-LLVKDONJSA-N 0 0 357.407 -0.189 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1F ZINC001120282514 843526422 /nfs/dbraw/zinc/52/64/22/843526422.db2.gz UTQJVTZKRRMVMU-NSHDSACASA-N 0 0 357.407 -0.189 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001120328906 843529891 /nfs/dbraw/zinc/52/98/91/843529891.db2.gz XORDJPXNGOEDBQ-BETUJISGSA-N 0 0 352.412 -0.146 20 10 FBCDRN CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC001120350514 843533509 /nfs/dbraw/zinc/53/35/09/843533509.db2.gz FFDAZSXTAJKAPR-UHFFFAOYSA-N 0 0 368.459 -0.579 20 10 FBCDRN COc1ccc(N2CCN(C(=O)C(=O)NCCCON)CC2)cc1F ZINC001120538769 843567468 /nfs/dbraw/zinc/56/74/68/843567468.db2.gz LHAABHKGJNPMAS-UHFFFAOYSA-N 0 0 354.382 -0.121 20 10 FBCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CNCCS1(=O)=O ZINC001121990556 843599393 /nfs/dbraw/zinc/59/93/93/843599393.db2.gz FXZMPWCWWSYKOS-HNNXBMFYSA-N 0 0 353.444 -0.474 20 10 FBCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CNCCS1(=O)=O ZINC001121990560 843599046 /nfs/dbraw/zinc/59/90/46/843599046.db2.gz FXZMPWCWWSYKOS-OAHLLOKOSA-N 0 0 353.444 -0.474 20 10 FBCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CNCCS1(=O)=O ZINC001122076119 843603367 /nfs/dbraw/zinc/60/33/67/843603367.db2.gz UIZZEWQETFFMNT-INIZCTEOSA-N 0 0 367.471 -0.350 20 10 FBCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CNCCS1(=O)=O ZINC001122076120 843603324 /nfs/dbraw/zinc/60/33/24/843603324.db2.gz UIZZEWQETFFMNT-MRXNPFEDSA-N 0 0 367.471 -0.350 20 10 FBCDRN O=C(Cn1ncnn1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001130779954 839648620 /nfs/dbraw/zinc/64/86/20/839648620.db2.gz CWCAEZHJSRDJBP-UHFFFAOYSA-N 0 0 350.404 -0.776 20 10 FBCDRN Cn1nnc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 ZINC001130979843 839662576 /nfs/dbraw/zinc/66/25/76/839662576.db2.gz HSQKTTXDOABLBA-UHFFFAOYSA-N 0 0 350.404 -0.625 20 10 FBCDRN COCCNC(=O)CN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001135702581 839745789 /nfs/dbraw/zinc/74/57/89/839745789.db2.gz GAFPKGFNVBXTKY-UHFFFAOYSA-N 0 0 351.403 -0.453 20 10 FBCDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(O)c(O)c1 ZINC001141374468 843692326 /nfs/dbraw/zinc/69/23/26/843692326.db2.gz FHWZHLQDEMNTIU-GFCCVEGCSA-N 0 0 370.427 -0.208 20 10 FBCDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(O)c(O)c1 ZINC001141374474 843692087 /nfs/dbraw/zinc/69/20/87/843692087.db2.gz FHWZHLQDEMNTIU-LBPRGKRZSA-N 0 0 370.427 -0.208 20 10 FBCDRN O=C(CCNC(=O)Cc1ccc(O)c(O)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC001141680707 843697172 /nfs/dbraw/zinc/69/71/72/843697172.db2.gz LVBIXLKAZIJIDN-LLVKDONJSA-N 0 0 356.400 -0.550 20 10 FBCDRN O=C(CCNC(=O)Cc1ccc(O)c(O)c1)N[C@H]1CCS(=O)(=O)C1 ZINC001141680708 843697436 /nfs/dbraw/zinc/69/74/36/843697436.db2.gz LVBIXLKAZIJIDN-NSHDSACASA-N 0 0 356.400 -0.550 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(c3nc[nH]n3)CC2)c1 ZINC001143875902 839813602 /nfs/dbraw/zinc/81/36/02/839813602.db2.gz XQYFMWLQCIBDLA-UHFFFAOYSA-N 0 0 366.403 -0.156 20 10 FBCDRN COC(=O)CN(CCN1CCOCC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001144066648 839824469 /nfs/dbraw/zinc/82/44/69/839824469.db2.gz RMAHOIKJUZCNIL-UHFFFAOYSA-N 0 0 352.387 -0.026 20 10 FBCDRN COC(=O)[C@H]1CCS(=O)(=O)C12CN(Cc1c(O)cc(O)cc1O)C2 ZINC001144515385 839874469 /nfs/dbraw/zinc/87/44/69/839874469.db2.gz MFLKMHJIORNKKB-LLVKDONJSA-N 0 0 357.384 -0.035 20 10 FBCDRN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(Cc1c(O)cc(O)cc1O)C2 ZINC001144515386 839874379 /nfs/dbraw/zinc/87/43/79/839874379.db2.gz MFLKMHJIORNKKB-NSHDSACASA-N 0 0 357.384 -0.035 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001144840909 839894444 /nfs/dbraw/zinc/89/44/44/839894444.db2.gz IUIWJVDBGTWDTB-JTQLQIEISA-N 0 0 357.457 -0.304 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001144840910 839894602 /nfs/dbraw/zinc/89/46/02/839894602.db2.gz IUIWJVDBGTWDTB-SNVBAGLBSA-N 0 0 357.457 -0.304 20 10 FBCDRN CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@H]21 ZINC001144841303 839894662 /nfs/dbraw/zinc/89/46/62/839894662.db2.gz AZXBJEURSUHUAJ-OUAUKWLOSA-N 0 0 371.484 -0.154 20 10 FBCDRN Cc1noc([C@]23COC[C@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)n1 ZINC001144841558 839893953 /nfs/dbraw/zinc/89/39/53/839893953.db2.gz LWQMRPFISIZIHH-YMTOWFKASA-N 0 0 368.440 -0.035 20 10 FBCDRN CCOC(=O)c1nc2n(n1)CCN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001144841862 839894174 /nfs/dbraw/zinc/89/41/74/839894174.db2.gz YABYNEOHKOKCKS-UHFFFAOYSA-N 0 0 369.428 -0.343 20 10 FBCDRN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1C(=O)CSC1=S ZINC001144843368 839895100 /nfs/dbraw/zinc/89/51/00/839895100.db2.gz BLULGADFGAVJBG-MRVPVSSYSA-N 0 0 359.429 -0.873 20 10 FBCDRN CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1C(=O)CSC1=S ZINC001144843369 839895516 /nfs/dbraw/zinc/89/55/16/839895516.db2.gz BLULGADFGAVJBG-QMMMGPOBSA-N 0 0 359.429 -0.873 20 10 FBCDRN CCNC(=O)CO[C@H]1CCCN(C(=O)CN2C(=O)CSC2=S)C1 ZINC001144843454 839895536 /nfs/dbraw/zinc/89/55/36/839895536.db2.gz CLBFTKHLZLXUEF-JTQLQIEISA-N 0 0 359.473 -0.010 20 10 FBCDRN CCNC(=O)CO[C@@H]1CCCN(C(=O)CN2C(=O)CSC2=S)C1 ZINC001144843456 839895223 /nfs/dbraw/zinc/89/52/23/839895223.db2.gz CLBFTKHLZLXUEF-SNVBAGLBSA-N 0 0 359.473 -0.010 20 10 FBCDRN COC(=O)c1cn2c(n1)CN(C(=O)CN1C(=O)CSC1=S)CC2 ZINC001144843696 839895469 /nfs/dbraw/zinc/89/54/69/839895469.db2.gz GPLAGGLEPVVUNP-UHFFFAOYSA-N 0 0 354.413 -0.128 20 10 FBCDRN CC(C)NC(=O)CN1CCN(C(=O)CN2C(=O)CSC2=S)CC1 ZINC001144843769 839895406 /nfs/dbraw/zinc/89/54/06/839895406.db2.gz HNOMCKRZMUBNIM-UHFFFAOYSA-N 0 0 358.489 -0.485 20 10 FBCDRN O=C(CN1CCN(C(=O)CN2C(=O)CSC2=S)CC1)N1CCCC1 ZINC001144843843 839894113 /nfs/dbraw/zinc/89/41/13/839894113.db2.gz HXSPVGXWVJUAHL-UHFFFAOYSA-N 0 0 370.500 -0.387 20 10 FBCDRN CC(=O)NCc1nnc2n1CCN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001144843908 839894145 /nfs/dbraw/zinc/89/41/45/839894145.db2.gz ILKDFTBSUSMGCJ-UHFFFAOYSA-N 0 0 368.444 -0.883 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001144844161 839894333 /nfs/dbraw/zinc/89/43/33/839894333.db2.gz NFYUPMBATJJACS-UHFFFAOYSA-N 0 0 355.441 -0.108 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CCN(C2CCOCC2)C(=O)C1 ZINC001144844369 839894389 /nfs/dbraw/zinc/89/43/89/839894389.db2.gz RUDPAMIMJRIKFN-UHFFFAOYSA-N 0 0 357.457 -0.304 20 10 FBCDRN CS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)CSC2=S)nc1 ZINC001144847006 839895653 /nfs/dbraw/zinc/89/56/53/839895653.db2.gz DTBVXFNPNFKVLE-UHFFFAOYSA-N 0 0 359.454 -0.038 20 10 FBCDRN CC(C)[C@H](NC(=O)CN1C(=O)CSC1=S)C(=O)N1CCOCC1 ZINC001144848054 839895276 /nfs/dbraw/zinc/89/52/76/839895276.db2.gz AIMRIJAAUQNXDB-LBPRGKRZSA-N 0 0 359.473 -0.154 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)NCc1ccc(N2CCOCC2)nn1 ZINC001144848062 839895299 /nfs/dbraw/zinc/89/52/99/839895299.db2.gz ANLQCHPORQKOIF-UHFFFAOYSA-N 0 0 367.456 -0.210 20 10 FBCDRN CCOC(=O)C(=CNC(=O)CN1C(=O)CSC1=S)C(=O)OCC ZINC001144848116 839895608 /nfs/dbraw/zinc/89/56/08/839895608.db2.gz CEXKLLFQWACOLG-UHFFFAOYSA-N 0 0 360.413 -0.027 20 10 FBCDRN CCn1c(N)c(NC(=O)CN2C(=O)CSC2=S)c(=O)n(CC)c1=O ZINC001144848746 839895553 /nfs/dbraw/zinc/89/55/53/839895553.db2.gz VOUCRLSZIGTTFI-UHFFFAOYSA-N 0 0 371.444 -0.569 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CCN(c2ncc(O)cn2)CC1 ZINC001144849561 839895115 /nfs/dbraw/zinc/89/51/15/839895115.db2.gz COTYTEUVAVOMKX-UHFFFAOYSA-N 0 0 353.429 -0.309 20 10 FBCDRN COc1cc(N2CCN(C(=O)CN3C(=O)CSC3=S)CC2)ncn1 ZINC001144849599 839895125 /nfs/dbraw/zinc/89/51/25/839895125.db2.gz FMEZLJXLRVPUPC-UHFFFAOYSA-N 0 0 367.456 -0.006 20 10 FBCDRN COC(=O)[C@H]1CN(C(=O)CN2C(=O)CSC2=S)CCN1C(C)=O ZINC001144849728 839895046 /nfs/dbraw/zinc/89/50/46/839895046.db2.gz GBJDKHAYWAXCAG-SECBINFHSA-N 0 0 359.429 -0.921 20 10 FBCDRN COC(=O)[C@@H]1CN(C(=O)CN2C(=O)CSC2=S)CCN1C(C)=O ZINC001144849729 839895524 /nfs/dbraw/zinc/89/55/24/839895524.db2.gz GBJDKHAYWAXCAG-VIFPVBQESA-N 0 0 359.429 -0.921 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O ZINC001144850104 839895547 /nfs/dbraw/zinc/89/55/47/839895547.db2.gz MQJWEPBLGCRRQJ-SZIUVUDRSA-N 0 0 368.440 -0.422 20 10 FBCDRN CCS(=O)(=O)NC1CCN(C(=O)CN2C(=O)CSC2=S)CC1 ZINC001144850106 839895317 /nfs/dbraw/zinc/89/53/17/839895317.db2.gz MRUSVDYQJGPMBP-UHFFFAOYSA-N 0 0 365.502 -0.223 20 10 FBCDRN Nc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C(=O)CSC1=S ZINC001144850344 839895158 /nfs/dbraw/zinc/89/51/58/839895158.db2.gz RSENXOZKRULLBE-UHFFFAOYSA-N 0 0 360.442 -0.285 20 10 FBCDRN COCCOc1nccc(CNC(=O)CN2C(=O)CSC2=S)n1 ZINC001144852521 839895291 /nfs/dbraw/zinc/89/52/91/839895291.db2.gz BJOYFAFUVRWKRB-UHFFFAOYSA-N 0 0 356.429 -0.022 20 10 FBCDRN CS(=O)(=O)N1CCC(CNC(=O)CN2C(=O)CSC2=S)CC1 ZINC001144852837 839895326 /nfs/dbraw/zinc/89/53/26/839895326.db2.gz LAOVWBSCAPGGER-UHFFFAOYSA-N 0 0 365.502 -0.366 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)NCCCN1CCS(=O)(=O)CC1 ZINC001144853014 839895700 /nfs/dbraw/zinc/89/57/00/839895700.db2.gz OJUKPUPGQRUXFM-UHFFFAOYSA-N 0 0 365.502 -0.917 20 10 FBCDRN COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)CN1C(=O)CSC1=S ZINC001144853078 839895135 /nfs/dbraw/zinc/89/51/35/839895135.db2.gz QSZYOEQXVYCZTM-JTQLQIEISA-N 0 0 370.456 -0.129 20 10 FBCDRN COC(=O)[C@@H](Cc1cncn1C)NC(=O)CN1C(=O)CSC1=S ZINC001144853191 839895259 /nfs/dbraw/zinc/89/52/59/839895259.db2.gz RDCYECBUNGVMEQ-SECBINFHSA-N 0 0 356.429 -0.519 20 10 FBCDRN COC(=O)[C@H](Cc1cncn1C)NC(=O)CN1C(=O)CSC1=S ZINC001144853192 839895721 /nfs/dbraw/zinc/89/57/21/839895721.db2.gz RDCYECBUNGVMEQ-VIFPVBQESA-N 0 0 356.429 -0.519 20 10 FBCDRN CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1C(=O)CSC1=S ZINC001144853197 839895168 /nfs/dbraw/zinc/89/51/68/839895168.db2.gz RGUYZFUKDUKFCM-VIFPVBQESA-N 0 0 356.429 -0.140 20 10 FBCDRN COC(=O)[C@H](CCC(=O)NCCc1cc(O)c(O)cc1O)NC(C)=O ZINC001144963600 839902693 /nfs/dbraw/zinc/90/26/93/839902693.db2.gz LEVZVFUMWSJKKM-NSHDSACASA-N 0 0 354.359 -0.080 20 10 FBCDRN COC(=O)[C@H](CCC(=O)NCC(=O)c1ccc(O)c(O)c1)NC(C)=O ZINC001144964848 839903271 /nfs/dbraw/zinc/90/32/71/839903271.db2.gz YSJKIMBSASPMRR-NSHDSACASA-N 0 0 352.343 -0.145 20 10 FBCDRN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc(O)c1O)C2 ZINC001148218366 839946045 /nfs/dbraw/zinc/94/60/45/839946045.db2.gz AMHBLMJACBJVHA-JTQLQIEISA-N 0 0 355.368 -0.100 20 10 FBCDRN COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc(O)c1O)C2 ZINC001148218367 839946340 /nfs/dbraw/zinc/94/63/40/839946340.db2.gz AMHBLMJACBJVHA-SNVBAGLBSA-N 0 0 355.368 -0.100 20 10 FBCDRN COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001148583872 839954242 /nfs/dbraw/zinc/95/42/42/839954242.db2.gz FERCBVOVUUPIFL-SECBINFHSA-N 0 0 371.367 -0.394 20 10 FBCDRN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001148583873 839954350 /nfs/dbraw/zinc/95/43/50/839954350.db2.gz FERCBVOVUUPIFL-VIFPVBQESA-N 0 0 371.367 -0.394 20 10 FBCDRN CS(=O)(=O)CCCN1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001148583930 839953539 /nfs/dbraw/zinc/95/35/39/839953539.db2.gz HSBKRVCSOHGRBL-UHFFFAOYSA-N 0 0 358.416 -0.004 20 10 FBCDRN Cn1ncnc1C1(O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC001153625453 843776206 /nfs/dbraw/zinc/77/62/06/843776206.db2.gz RKNQSABSMHHEMO-UHFFFAOYSA-N 0 0 367.387 -0.764 20 10 FBCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)COCC(=O)OC ZINC001153664260 843776408 /nfs/dbraw/zinc/77/64/08/843776408.db2.gz RUMIFABGMPWPQP-NSHDSACASA-N 0 0 355.343 -0.122 20 10 FBCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CS(=O)(=O)C1 ZINC001153665233 843776377 /nfs/dbraw/zinc/77/63/77/843776377.db2.gz YZKFFOOPCGPIKX-NSHDSACASA-N 0 0 357.384 -0.267 20 10 FBCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001153879913 843779386 /nfs/dbraw/zinc/77/93/86/843779386.db2.gz ZJIXIJDSPVGSTR-NEPJUHHUSA-N 0 0 368.411 -0.250 20 10 FBCDRN O=C(NCc1cc(O)ccc1O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001153879914 843779226 /nfs/dbraw/zinc/77/92/26/843779226.db2.gz ZJIXIJDSPVGSTR-NWDGAFQWSA-N 0 0 368.411 -0.250 20 10 FBCDRN O=C(NCc1cc(O)ccc1O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001153879915 843779212 /nfs/dbraw/zinc/77/92/12/843779212.db2.gz ZJIXIJDSPVGSTR-RYUDHWBXSA-N 0 0 368.411 -0.250 20 10 FBCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001153879916 843779322 /nfs/dbraw/zinc/77/93/22/843779322.db2.gz ZJIXIJDSPVGSTR-VXGBXAGGSA-N 0 0 368.411 -0.250 20 10 FBCDRN CS(=O)(=O)NC1CN(C(=O)c2cc3cc(O)c(O)cc3oc2=O)C1 ZINC001155224310 843803382 /nfs/dbraw/zinc/80/33/82/843803382.db2.gz CJIHSZPGFBFVOM-UHFFFAOYSA-N 0 0 354.340 -0.422 20 10 FBCDRN CS(=O)(=O)N1CCN(C(=O)c2cc3cc(O)c(O)cc3oc2=O)CC1 ZINC001155226574 843803018 /nfs/dbraw/zinc/80/30/18/843803018.db2.gz VVHTTWDYGXMLPK-UHFFFAOYSA-N 0 0 368.367 -0.078 20 10 FBCDRN CS(=O)(=O)N1CC(NC(=O)c2cc3cc(O)c(O)cc3oc2=O)C1 ZINC001155233041 843804586 /nfs/dbraw/zinc/80/45/86/843804586.db2.gz YWNYSGZRFUFQAW-UHFFFAOYSA-N 0 0 354.340 -0.422 20 10 FBCDRN COC(=O)CNC(=O)CNC(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155234171 843804752 /nfs/dbraw/zinc/80/47/52/843804752.db2.gz LBWVDRNHSSOPAZ-UHFFFAOYSA-N 0 0 350.283 -0.777 20 10 FBCDRN CN(C)S(=O)(=O)CCNC(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155234316 843805049 /nfs/dbraw/zinc/80/50/49/843805049.db2.gz MUFYORWCLQXHOR-UHFFFAOYSA-N 0 0 356.356 -0.175 20 10 FBCDRN O=C(NCCN1CCCS1(=O)=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155236089 843805285 /nfs/dbraw/zinc/80/52/85/843805285.db2.gz XEHCFLJGQLIYFW-UHFFFAOYSA-N 0 0 368.367 -0.031 20 10 FBCDRN Cn1nccc1[C@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001156708002 843826414 /nfs/dbraw/zinc/82/64/14/843826414.db2.gz PDVZQOWHEYWAJT-CYBMUJFWSA-N 0 0 354.388 -0.039 20 10 FBCDRN Cn1nccc1[C@@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001156708003 843826839 /nfs/dbraw/zinc/82/68/39/843826839.db2.gz PDVZQOWHEYWAJT-ZDUSSCGKSA-N 0 0 354.388 -0.039 20 10 FBCDRN CN1CCn2ncc(C(=O)NCc3c(O)cccc3O)c2S1(=O)=O ZINC001156885633 843829328 /nfs/dbraw/zinc/82/93/28/843829328.db2.gz LFMODXCFHRCLDZ-UHFFFAOYSA-N 0 0 352.372 -0.142 20 10 FBCDRN O=C(c1c(F)ccc(O)c1O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC001161143082 843916049 /nfs/dbraw/zinc/91/60/49/843916049.db2.gz IEHCSBCSEUSREW-UHFFFAOYSA-N 0 0 371.350 -0.498 20 10 FBCDRN Nc1nnn(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC001161180792 843917254 /nfs/dbraw/zinc/91/72/54/843917254.db2.gz JSTIARUIHIWGPK-UHFFFAOYSA-N 0 0 353.333 -0.314 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCOC[C@@H]2CC(N)=O)c1 ZINC001162079180 843930314 /nfs/dbraw/zinc/93/03/14/843930314.db2.gz AVUHDABHFMVCGQ-JTQLQIEISA-N 0 0 357.388 -0.520 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCOC[C@H]2CC(N)=O)c1 ZINC001162079186 843930511 /nfs/dbraw/zinc/93/05/11/843930511.db2.gz AVUHDABHFMVCGQ-SNVBAGLBSA-N 0 0 357.388 -0.520 20 10 FBCDRN COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001170815712 839740785 /nfs/dbraw/zinc/74/07/85/839740785.db2.gz RTAMIXDZNQIMMV-LLVKDONJSA-N 0 0 357.384 -0.171 20 10 FBCDRN COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001170815713 839740289 /nfs/dbraw/zinc/74/02/89/839740289.db2.gz RTAMIXDZNQIMMV-NSHDSACASA-N 0 0 357.384 -0.171 20 10 FBCDRN CS(=O)(=O)N1CCN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001177733855 840321942 /nfs/dbraw/zinc/32/19/42/840321942.db2.gz UZRZNWNJXJVWTI-UHFFFAOYSA-N 0 0 358.420 -0.033 20 10 FBCDRN CN1CCN(C(=O)CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC001181497570 840405393 /nfs/dbraw/zinc/40/53/93/840405393.db2.gz ZPGSFAVEBQUXAF-UHFFFAOYSA-N 0 0 370.431 -0.733 20 10 FBCDRN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)NC[C@@H](O)CO)cc12 ZINC001184362339 840476740 /nfs/dbraw/zinc/47/67/40/840476740.db2.gz QGJIJHCYXQRBMW-GFCCVEGCSA-N 0 0 350.371 -0.292 20 10 FBCDRN CCOC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001185875770 840507098 /nfs/dbraw/zinc/50/70/98/840507098.db2.gz WLGGCFAZKPJFQJ-VIFPVBQESA-N 0 0 353.331 -0.613 20 10 FBCDRN CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NCCc1cc(O)c(O)cc1O ZINC001186727048 840532581 /nfs/dbraw/zinc/53/25/81/840532581.db2.gz UFCYULZPSSCGEQ-RKDXNWHRSA-N 0 0 354.359 -0.082 20 10 FBCDRN CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001186727651 840533751 /nfs/dbraw/zinc/53/37/51/840533751.db2.gz XUYBTQNRUKGJMQ-RKDXNWHRSA-N 0 0 352.343 -0.147 20 10 FBCDRN COC(=O)CCS(=O)(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001188344531 840619136 /nfs/dbraw/zinc/61/91/36/840619136.db2.gz DLEMOOLITLWULW-JTQLQIEISA-N 0 0 361.372 -0.336 20 10 FBCDRN COC(=O)[C@H]1CN(C(=O)c2cc(O)c(O)c(OC)c2)CCN1C(C)=O ZINC001193098458 840996962 /nfs/dbraw/zinc/99/69/62/840996962.db2.gz SMHYUSQFGGDKRZ-LLVKDONJSA-N 0 0 352.343 -0.048 20 10 FBCDRN COC(=O)[C@@H]1CN(C(=O)c2cc(O)c(O)c(OC)c2)CCN1C(C)=O ZINC001193098459 840997316 /nfs/dbraw/zinc/99/73/16/840997316.db2.gz SMHYUSQFGGDKRZ-NSHDSACASA-N 0 0 352.343 -0.048 20 10 FBCDRN COc1cc(C(=O)NCCCN2CCS(=O)(=O)CC2)cc(O)c1O ZINC001193119768 841001090 /nfs/dbraw/zinc/00/10/90/841001090.db2.gz LVWBUZRMEXCEGY-UHFFFAOYSA-N 0 0 358.416 -0.043 20 10 FBCDRN COc1cc(C(=O)NCCOCCN2C(=O)C=CC2=O)cc(O)c1O ZINC001193119772 841001530 /nfs/dbraw/zinc/00/15/30/841001530.db2.gz LXXARLPRTFRVQE-UHFFFAOYSA-N 0 0 350.327 -0.222 20 10 FBCDRN COC(=O)[C@H](Cc1ccc(O)c(O)c1)NS(=O)(=O)c1nccn1C ZINC001193548718 841051512 /nfs/dbraw/zinc/05/15/12/841051512.db2.gz HITGAPMKVALLKV-JTQLQIEISA-N 0 0 355.372 -0.106 20 10 FBCDRN C[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1O ZINC001193690449 841067525 /nfs/dbraw/zinc/06/75/25/841067525.db2.gz SJHWMKSVCHHPOV-NSHDSACASA-N 0 0 363.461 -0.135 20 10 FBCDRN CS(=O)(=O)N1CCN(CCNC(=O)NCc2c(O)cccc2F)CC1 ZINC001221663007 845631106 /nfs/dbraw/zinc/63/11/06/845631106.db2.gz JOPDQSQQWNYSRG-UHFFFAOYSA-N 0 0 374.438 -0.092 20 10 FBCDRN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233017725 845987906 /nfs/dbraw/zinc/98/79/06/845987906.db2.gz ZKNFFYFMLCJLQA-JTQLQIEISA-N 0 0 357.384 -0.035 20 10 FBCDRN COC(=O)[C@H]1CCS(=O)(=O)C12CN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233017726 845987933 /nfs/dbraw/zinc/98/79/33/845987933.db2.gz ZKNFFYFMLCJLQA-SNVBAGLBSA-N 0 0 357.384 -0.035 20 10 FBCDRN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(Cc1cc(O)c(O)cc1O)C2 ZINC001233486691 845997752 /nfs/dbraw/zinc/99/77/52/845997752.db2.gz YEKAKHOCPBQXPS-JTQLQIEISA-N 0 0 357.384 -0.035 20 10 FBCDRN COC(=O)[C@H]1CCS(=O)(=O)C12CN(Cc1cc(O)c(O)cc1O)C2 ZINC001233486692 845997567 /nfs/dbraw/zinc/99/75/67/845997567.db2.gz YEKAKHOCPBQXPS-SNVBAGLBSA-N 0 0 357.384 -0.035 20 10 FBCDRN COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001236058432 846033420 /nfs/dbraw/zinc/03/34/20/846033420.db2.gz QPTYGZFTTSGSFJ-INIZCTEOSA-N 0 0 367.471 -0.132 20 10 FBCDRN CN1CCN(c2ccc(CN3CC(C(N)=O)C3)c(S(C)(=O)=O)c2)CC1 ZINC001237086282 846036230 /nfs/dbraw/zinc/03/62/30/846036230.db2.gz YEVZKIBIODUZSK-UHFFFAOYSA-N 0 0 366.487 -0.241 20 10 FBCDRN CN(Cc1ccc(N2CCN(C)CC2)cc1S(C)(=O)=O)C[C@H](O)CO ZINC001237087475 846036095 /nfs/dbraw/zinc/03/60/95/846036095.db2.gz SRVYIHSIIYCFSW-INIZCTEOSA-N 0 0 371.503 -0.373 20 10 FBCDRN CN(Cc1ccc(N2CCN(C)CC2)cc1S(C)(=O)=O)C[C@@H](O)CO ZINC001237087476 846035910 /nfs/dbraw/zinc/03/59/10/846035910.db2.gz SRVYIHSIIYCFSW-MRXNPFEDSA-N 0 0 371.503 -0.373 20 10 FBCDRN CN1CCN(c2ccc(CN3CCNC(=O)C3)c(S(C)(=O)=O)c2)CC1 ZINC001237087516 846036203 /nfs/dbraw/zinc/03/62/03/846036203.db2.gz YELSBEQHMCQHBO-UHFFFAOYSA-N 0 0 366.487 -0.226 20 10 FBCDRN COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC[C@H](O)CN1CCOCC1 ZINC001251002452 846135573 /nfs/dbraw/zinc/13/55/73/846135573.db2.gz IGOHFRGQTRLBKQ-KBPBESRZSA-N 0 0 354.403 -0.535 20 10 FBCDRN COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC[C@@H](O)CN1CCOCC1 ZINC001251002453 846134985 /nfs/dbraw/zinc/13/49/85/846134985.db2.gz IGOHFRGQTRLBKQ-KGLIPLIRSA-N 0 0 354.403 -0.535 20 10 FBCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)CS(C)(=O)=O)C2)cc1 ZINC001252922304 846204135 /nfs/dbraw/zinc/20/41/35/846204135.db2.gz HCDNBVCQTOMUKQ-GXTWGEPZSA-N 0 0 371.459 -0.021 20 10 FBCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)CS(C)(=O)=O)C2)cc1 ZINC001252922305 846204623 /nfs/dbraw/zinc/20/46/23/846204623.db2.gz HCDNBVCQTOMUKQ-JSGCOSHPSA-N 0 0 371.459 -0.021 20 10 FBCDRN COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](O)CS(C)(=O)=O)C2)cc1 ZINC001252922306 846204376 /nfs/dbraw/zinc/20/43/76/846204376.db2.gz HCDNBVCQTOMUKQ-OCCSQVGLSA-N 0 0 371.459 -0.021 20 10 FBCDRN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](O)CS(C)(=O)=O)C2)cc1 ZINC001252922307 846204644 /nfs/dbraw/zinc/20/46/44/846204644.db2.gz HCDNBVCQTOMUKQ-TZMCWYRMSA-N 0 0 371.459 -0.021 20 10 FBCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CC(S(N)(=O)=O)C3)C2)cc1 ZINC001252923453 846204487 /nfs/dbraw/zinc/20/44/87/846204487.db2.gz MGYMWJRVARKOEM-LLVKDONJSA-N 0 0 354.432 -0.044 20 10 FBCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC(S(N)(=O)=O)C3)C2)cc1 ZINC001252923455 846204454 /nfs/dbraw/zinc/20/44/54/846204454.db2.gz MGYMWJRVARKOEM-NSHDSACASA-N 0 0 354.432 -0.044 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)C1(CO)COC1)cc2=O ZINC001256451853 846340175 /nfs/dbraw/zinc/34/01/75/846340175.db2.gz FBLYMHARGMTXCG-UHFFFAOYSA-N 0 0 351.315 -0.336 20 10 FBCDRN CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001258303633 846407089 /nfs/dbraw/zinc/40/70/89/846407089.db2.gz XNVKHQYYDUQLLO-UHFFFAOYSA-N 0 0 368.459 -0.649 20 10 FBCDRN CNS(=O)(=O)CCNC(=O)C(=O)NCCCSc1nccs1 ZINC001258437210 846417932 /nfs/dbraw/zinc/41/79/32/846417932.db2.gz OPPXPBQLAAFPRT-UHFFFAOYSA-N 0 0 366.490 -0.593 20 10 FBCDRN COC(=O)[C@H](Cc1ccc(O)c(O)c1)NS(=O)(=O)c1cn(C)cn1 ZINC001258993461 846424686 /nfs/dbraw/zinc/42/46/86/846424686.db2.gz YTCQALXWVRWTJW-JTQLQIEISA-N 0 0 355.372 -0.106 20 10 FBCDRN COC(=O)[C@H](Cc1ccc(O)c(O)c1)NS(=O)(=O)c1cnn(C)c1 ZINC001259819799 846441435 /nfs/dbraw/zinc/44/14/35/846441435.db2.gz UCDDMAWSTGJLHK-NSHDSACASA-N 0 0 355.372 -0.106 20 10 FBCDRN COC(=O)[C@H](Cc1ccc(O)c(O)c1)NS(=O)(=O)c1ccn(C)n1 ZINC001259937539 846447540 /nfs/dbraw/zinc/44/75/40/846447540.db2.gz ZDTDALXICWKYMW-JTQLQIEISA-N 0 0 355.372 -0.106 20 10 FBCDRN COC(=O)[C@H](Cc1ccc(O)c(O)c1)NS(=O)(=O)CS(C)(=O)=O ZINC001260583197 846466790 /nfs/dbraw/zinc/46/67/90/846466790.db2.gz SOXYMKKIVZPJAO-VIFPVBQESA-N 0 0 367.401 -0.897 20 10 FBCDRN CCOc1ccc(N2CCN(C(=O)CNS(=O)(=O)NC)CC2)cc1 ZINC001261260887 846518021 /nfs/dbraw/zinc/51/80/21/846518021.db2.gz BJFTXTFSHHJUQS-UHFFFAOYSA-N 0 0 356.448 -0.212 20 10 FBCDRN CNC(=O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001261649621 846588930 /nfs/dbraw/zinc/58/89/30/846588930.db2.gz NVXQXUJKFSCBMQ-UHFFFAOYSA-N 0 0 354.432 -0.533 20 10 FBCDRN NC(=O)CSCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001261772911 846615026 /nfs/dbraw/zinc/61/50/26/846615026.db2.gz NLOXREDOTJMLKC-UHFFFAOYSA-N 0 0 371.484 -0.244 20 10 FBCDRN Cc1ccc(O)c(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC001261797110 846619243 /nfs/dbraw/zinc/61/92/43/846619243.db2.gz XFBQRBYPEGJTEJ-UHFFFAOYSA-N 0 0 363.461 -0.388 20 10 FBCDRN CS(=O)(=O)N1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001261855831 846637466 /nfs/dbraw/zinc/63/74/66/846637466.db2.gz IBBOOTCAXHKPEU-UHFFFAOYSA-N 0 0 353.400 -0.662 20 10 FBCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CNCCS3(=O)=O)CC2)cc1 ZINC001263092362 846753556 /nfs/dbraw/zinc/75/35/56/846753556.db2.gz PMYKNUPAHQGPQQ-HNNXBMFYSA-N 0 0 353.444 -0.270 20 10 FBCDRN COc1ccc(N2CCN(C(=O)[C@H]3CNCCS3(=O)=O)CC2)cc1 ZINC001263092363 846754052 /nfs/dbraw/zinc/75/40/52/846754052.db2.gz PMYKNUPAHQGPQQ-OAHLLOKOSA-N 0 0 353.444 -0.270 20 10 FBCDRN COCCOCN1C[C@H]2C[C@@H](C1)N2C(=O)CN1C(=O)CSC1=S ZINC001269897163 836138717 /nfs/dbraw/zinc/13/87/17/836138717.db2.gz BRCLJENHSQHAEK-PHIMTYICSA-N 0 0 359.473 -0.248 20 10 FBCDRN COCCOCN1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CSC1=S)C2 ZINC001269897443 836138708 /nfs/dbraw/zinc/13/87/08/836138708.db2.gz DZVOCAIBKOMEHI-NEPJUHHUSA-N 0 0 373.500 0.000 20 10 FBCDRN COCCOCN1CCC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001269897952 836138968 /nfs/dbraw/zinc/13/89/68/836138968.db2.gz KYUCRIWDOXPXHO-UHFFFAOYSA-N 0 0 359.473 -0.246 20 10 FBCDRN CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CSC1=S ZINC001269897954 836138946 /nfs/dbraw/zinc/13/89/46/836138946.db2.gz LESOAMNQOYCSAO-PHIMTYICSA-N 0 0 370.500 -0.390 20 10 FBCDRN CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2C1 ZINC001269897982 836138960 /nfs/dbraw/zinc/13/89/60/836138960.db2.gz LWGWUSZXBUFQHE-WDEREUQCSA-N 0 0 370.500 -0.532 20 10 FBCDRN COCCOCN1CC2(C1)CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001269898373 836138950 /nfs/dbraw/zinc/13/89/50/836138950.db2.gz RGDQWZXSNHODEG-UHFFFAOYSA-N 0 0 359.473 -0.389 20 10 FBCDRN CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S ZINC001269898429 836138893 /nfs/dbraw/zinc/13/88/93/836138893.db2.gz TTYXFHQOQWGPLR-QWRGUYRKSA-N 0 0 370.500 -0.390 20 10 FBCDRN CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CSC1=S)C2 ZINC001269898449 836138815 /nfs/dbraw/zinc/13/88/15/836138815.db2.gz UHMBRTHYFYDVJZ-MNOVXSKESA-N 0 0 370.500 -0.532 20 10 FBCDRN CN(C)C(=O)CN1CC2(C1)CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001269898606 836139652 /nfs/dbraw/zinc/13/96/52/836139652.db2.gz VXLZJEBVJOWZKU-UHFFFAOYSA-N 0 0 356.473 -0.921 20 10 FBCDRN CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N2C(=O)CN1C(=O)CSC1=S ZINC001269898651 836139444 /nfs/dbraw/zinc/13/94/44/836139444.db2.gz XVSLEQCOYQZZKU-AOOOYVTPSA-N 0 0 356.473 -0.780 20 10 FBCDRN CN(C)C(=O)CN1CCC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001269898680 836139629 /nfs/dbraw/zinc/13/96/29/836139629.db2.gz YUWJGOOIWHYPDJ-UHFFFAOYSA-N 0 0 356.473 -0.778 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CCC[C@@]12CCN(C1COC1)C2=O ZINC001270044922 836152906 /nfs/dbraw/zinc/15/29/06/836152906.db2.gz JSZZYQPPPLGIQM-HNNXBMFYSA-N 0 0 369.468 -0.161 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CCC[C@]12CCN(C1COC1)C2=O ZINC001270044923 836152960 /nfs/dbraw/zinc/15/29/60/836152960.db2.gz JSZZYQPPPLGIQM-OAHLLOKOSA-N 0 0 369.468 -0.161 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@]2(CCN(C3COC3)C2=O)C1 ZINC001270044949 836152851 /nfs/dbraw/zinc/15/28/51/836152851.db2.gz KMVGUDZQXYLQOJ-HNNXBMFYSA-N 0 0 369.468 -0.304 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(CCN(C3COC3)C2=O)C1 ZINC001270044950 836152936 /nfs/dbraw/zinc/15/29/36/836152936.db2.gz KMVGUDZQXYLQOJ-OAHLLOKOSA-N 0 0 369.468 -0.304 20 10 FBCDRN CN1C(=O)C[C@]2(CCCN(C(=O)CN3C(=O)CSC3=S)C2)C1=O ZINC001270044978 836153150 /nfs/dbraw/zinc/15/31/50/836153150.db2.gz LRJBPYRMVLNWLD-AWEZNQCLSA-N 0 0 355.441 -0.156 20 10 FBCDRN CN1C(=O)C[C@@]2(CCCN(C(=O)CN3C(=O)CSC3=S)C2)C1=O ZINC001270044979 836153009 /nfs/dbraw/zinc/15/30/09/836153009.db2.gz LRJBPYRMVLNWLD-CQSZACIVSA-N 0 0 355.441 -0.156 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@@H]2[C@H]1CCC(=O)N2C1COC1 ZINC001270044998 836152995 /nfs/dbraw/zinc/15/29/95/836152995.db2.gz MILVTXCUJJUIPE-GHMZBOCLSA-N 0 0 369.468 -0.163 20 10 FBCDRN CC(C)CN1C(=O)COCC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001270045082 836152915 /nfs/dbraw/zinc/15/29/15/836152915.db2.gz NUJVBQCTJWXXKH-UHFFFAOYSA-N 0 0 371.484 -0.058 20 10 FBCDRN CC(C)CN1CC2(CN(C(=O)CN3C(=O)CSC3=S)C2)OCC1=O ZINC001270045123 836152947 /nfs/dbraw/zinc/15/29/47/836152947.db2.gz OIMGNBURVQPFRE-UHFFFAOYSA-N 0 0 371.484 -0.058 20 10 FBCDRN CN1C[C@]2(CC1=O)COCCN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001270045327 836152826 /nfs/dbraw/zinc/15/28/26/836152826.db2.gz RLEQQCIWDXPGBX-AWEZNQCLSA-N 0 0 357.457 -0.446 20 10 FBCDRN CN1C[C@@]2(CC1=O)COCCN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001270045328 836153016 /nfs/dbraw/zinc/15/30/16/836153016.db2.gz RLEQQCIWDXPGBX-CQSZACIVSA-N 0 0 357.457 -0.446 20 10 FBCDRN CN1CC2(CN(C(=O)CCCN3C(=O)CSC3=S)C2)OCC1=O ZINC001270286173 836182574 /nfs/dbraw/zinc/18/25/74/836182574.db2.gz GMGUXZQZXKAZDG-UHFFFAOYSA-N 0 0 357.457 -0.304 20 10 FBCDRN CN1C(=O)COCC12CN(C(=O)CCCN1C(=O)CSC1=S)C2 ZINC001270287263 836182726 /nfs/dbraw/zinc/18/27/26/836182726.db2.gz XQDUZFNJFLSDQV-UHFFFAOYSA-N 0 0 357.457 -0.304 20 10 FBCDRN C[NH+](C)CCN1C(=O)COCC12CN(C(=O)c1cc([O-])[nH]c(=O)c1)C2 ZINC001270741403 836231766 /nfs/dbraw/zinc/23/17/66/836231766.db2.gz ANYULZRMEQMREX-UHFFFAOYSA-N 0 0 350.375 -0.892 20 10 FBCDRN C[NH+](C)CCN1CC2(CN(C(=O)c3cc([O-])[nH]c(=O)c3)C2)OCC1=O ZINC001270742045 836232229 /nfs/dbraw/zinc/23/22/29/836232229.db2.gz HATPJUOQCOOOOK-UHFFFAOYSA-N 0 0 350.375 -0.892 20 10 FBCDRN CS(=O)(=O)CCNC(=O)[C@]12C[C@H]1CCN2C(=O)c1cccc(O)c1O ZINC001271158595 836297590 /nfs/dbraw/zinc/29/75/90/836297590.db2.gz LZXBNGZOSHEWRT-HWPZZCPQSA-N 0 0 368.411 -0.137 20 10 FBCDRN CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cccc(O)c1O ZINC001271158601 836298443 /nfs/dbraw/zinc/29/84/43/836298443.db2.gz LZXBNGZOSHEWRT-MGPLVRAMSA-N 0 0 368.411 -0.137 20 10 FBCDRN CS(=O)(=O)CCNC(=O)[C@H]1CC12CN(C(=O)c1cccc(O)c1O)C2 ZINC001271159005 836297720 /nfs/dbraw/zinc/29/77/20/836297720.db2.gz RRILWVGAWFGCQQ-LLVKDONJSA-N 0 0 368.411 -0.279 20 10 FBCDRN CS(=O)(=O)CCNC(=O)[C@@H]1CC12CN(C(=O)c1cccc(O)c1O)C2 ZINC001271159006 836297777 /nfs/dbraw/zinc/29/77/77/836297777.db2.gz RRILWVGAWFGCQQ-NSHDSACASA-N 0 0 368.411 -0.279 20 10 FBCDRN CS(=O)(=O)CCNC(=O)C12CC(NC(=O)c3cccc(O)c3O)(C1)C2 ZINC001271159030 836297293 /nfs/dbraw/zinc/29/72/93/836297293.db2.gz SHWZKXGTLCMUKS-UHFFFAOYSA-N 0 0 368.411 -0.089 20 10 FBCDRN CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]21 ZINC001271241409 836334140 /nfs/dbraw/zinc/33/41/40/836334140.db2.gz CYZZCBXULWKARI-AAEUAGOBSA-N 0 0 371.415 -0.571 20 10 FBCDRN CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]21 ZINC001271241410 836333868 /nfs/dbraw/zinc/33/38/68/836333868.db2.gz CYZZCBXULWKARI-YPMHNXCESA-N 0 0 371.415 -0.571 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H](C1)O2 ZINC001271241517 836334444 /nfs/dbraw/zinc/33/44/44/836334444.db2.gz FCZHCMSWLQKRDE-PHIMTYICSA-N 0 0 371.415 -0.571 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccc(O)c1O ZINC001271242574 836334178 /nfs/dbraw/zinc/33/41/78/836334178.db2.gz XKIDYWJHVVCHOS-PHIMTYICSA-N 0 0 371.415 -0.571 20 10 FBCDRN CS(=O)(=O)CCNC(=O)C12CC(NC(=O)c3ccc(O)c(O)c3)(C1)C2 ZINC001271306286 836339396 /nfs/dbraw/zinc/33/93/96/836339396.db2.gz GBOPVSQNFWHEPJ-UHFFFAOYSA-N 0 0 368.411 -0.089 20 10 FBCDRN CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CN(C(=O)c1ccc(O)c(O)c1)C2 ZINC001271306433 836338998 /nfs/dbraw/zinc/33/89/98/836338998.db2.gz JKXCMZANBORKMH-BDJLRTHQSA-N 0 0 368.411 -0.279 20 10 FBCDRN CS(=O)(=O)CCNC(=O)[C@]12C[C@H]1CCN2C(=O)c1ccc(O)c(O)c1 ZINC001271306583 836338789 /nfs/dbraw/zinc/33/87/89/836338789.db2.gz NJNMQUHTHAXEOG-BZNIZROVSA-N 0 0 368.411 -0.137 20 10 FBCDRN CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1ccc(O)c(O)c1 ZINC001271306584 836339147 /nfs/dbraw/zinc/33/91/47/836339147.db2.gz NJNMQUHTHAXEOG-MEDUHNTESA-N 0 0 368.411 -0.137 20 10 FBCDRN CS(=O)(=O)CCNC(=O)[C@H]1CC12CN(C(=O)c1ccc(O)c(O)c1)C2 ZINC001271306844 836339495 /nfs/dbraw/zinc/33/94/95/836339495.db2.gz VOBNZXJXJQILRJ-LLVKDONJSA-N 0 0 368.411 -0.279 20 10 FBCDRN CS(=O)(=O)CCNC(=O)[C@@H]1CC12CN(C(=O)c1ccc(O)c(O)c1)C2 ZINC001271306845 836339351 /nfs/dbraw/zinc/33/93/51/836339351.db2.gz VOBNZXJXJQILRJ-NSHDSACASA-N 0 0 368.411 -0.279 20 10 FBCDRN CN(C)C(=O)CN1CCO[C@H]2CN(C(=O)c3cc([O-])[nH]c(=O)c3)C[C@H]21 ZINC001271796705 836392681 /nfs/dbraw/zinc/39/26/81/836392681.db2.gz IMLPBVGRBDJHFT-NEPJUHHUSA-N 0 0 350.375 -0.894 20 10 FBCDRN CN(C)C(=O)CN1CCO[C@H]2CN(C(=O)c3cc([O-])[nH]c(=O)c3)C[C@@H]21 ZINC001271796706 836392943 /nfs/dbraw/zinc/39/29/43/836392943.db2.gz IMLPBVGRBDJHFT-RYUDHWBXSA-N 0 0 350.375 -0.894 20 10 FBCDRN CN(C)C(=O)CN1C[C@@H]2CN(C(=O)c3cc([O-])[nH]c(=O)c3)C[C@H](C1)O2 ZINC001271797070 836392915 /nfs/dbraw/zinc/39/29/15/836392915.db2.gz KRDQPHYCABTFFU-TXEJJXNPSA-N 0 0 350.375 -0.894 20 10 FBCDRN CN(C)S(=O)(=O)N1CC2(C1)CCCN(C(=O)c1cc([O-])[nH]c(=O)c1)C2 ZINC001271802474 836395395 /nfs/dbraw/zinc/39/53/95/836395395.db2.gz VFXNPBPFQNPQJY-UHFFFAOYSA-N 0 0 370.431 -0.163 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C[C@@H]2C(=O)Nc2nnco2)C1 ZINC001271836433 836400565 /nfs/dbraw/zinc/40/05/65/836400565.db2.gz HJFWWFLCEGSXJL-SSDOTTSWSA-N 0 0 367.412 -0.283 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C[C@H]2C(=O)Nc2nnco2)C1 ZINC001271836434 836400647 /nfs/dbraw/zinc/40/06/47/836400647.db2.gz HJFWWFLCEGSXJL-ZETCQYMHSA-N 0 0 367.412 -0.283 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)NC12CC(C(=O)Nc3nnco3)(C1)C2 ZINC001271836635 836400791 /nfs/dbraw/zinc/40/07/91/836400791.db2.gz KAKGGSRZNJCCIT-UHFFFAOYSA-N 0 0 367.412 -0.093 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@@H]2C[C@@]21C(=O)Nc1nnco1 ZINC001271836977 836400836 /nfs/dbraw/zinc/40/08/36/836400836.db2.gz MXHKSHMWCRHRMH-UHLUBPPHSA-N 0 0 367.412 -0.141 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@H]2C[C@]21C(=O)Nc1nnco1 ZINC001271836978 836400640 /nfs/dbraw/zinc/40/06/40/836400640.db2.gz MXHKSHMWCRHRMH-WPPNPWJKSA-N 0 0 367.412 -0.141 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@H]2C[C@@]2(C(=O)Nc2nnco2)C1 ZINC001271837404 836400830 /nfs/dbraw/zinc/40/08/30/836400830.db2.gz PIKWUFJEOGLWTA-FUXBKTLASA-N 0 0 367.412 -0.283 20 10 FBCDRN NC(=O)[C@H]1CCn2nccc2CN1C(=O)CN1C(=O)CSC1=S ZINC001271840734 836400740 /nfs/dbraw/zinc/40/07/40/836400740.db2.gz AEPALRAKCFYLOZ-SECBINFHSA-N 0 0 353.429 -0.670 20 10 FBCDRN NC(=O)[C@@H]1CCn2nccc2CN1C(=O)CN1C(=O)CSC1=S ZINC001271840735 836401330 /nfs/dbraw/zinc/40/13/30/836401330.db2.gz AEPALRAKCFYLOZ-VIFPVBQESA-N 0 0 353.429 -0.670 20 10 FBCDRN NC(=O)[C@H]1CN(C(=O)CN2C(=O)CSC2=S)C[C@H]2CCCO[C@H]21 ZINC001271840770 836401449 /nfs/dbraw/zinc/40/14/49/836401449.db2.gz BCESFAOUTBFIDQ-VDDIYKPWSA-N 0 0 357.457 -0.414 20 10 FBCDRN CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@H]12 ZINC001271840784 836401573 /nfs/dbraw/zinc/40/15/73/836401573.db2.gz BPCRAGTXVHJCIT-JGVFFNPUSA-N 0 0 356.429 -0.852 20 10 FBCDRN COCCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)CN1C(=O)CSC1=S ZINC001271840823 836401512 /nfs/dbraw/zinc/40/15/12/836401512.db2.gz CKJOGGSDGQJXDB-BMIGLBTASA-N 0 0 371.484 -0.058 20 10 FBCDRN COCCN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S ZINC001271840826 836401543 /nfs/dbraw/zinc/40/15/43/836401543.db2.gz CKJOGGSDGQJXDB-ZUZCIYMTSA-N 0 0 371.484 -0.058 20 10 FBCDRN CN(C)C(=O)[C@@H]1COCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001271840935 836400769 /nfs/dbraw/zinc/40/07/69/836400769.db2.gz CSCVDAWGGPJAQF-JTQLQIEISA-N 0 0 371.484 -0.200 20 10 FBCDRN CN(C)C(=O)[C@H]1COCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001271840936 836400747 /nfs/dbraw/zinc/40/07/47/836400747.db2.gz CSCVDAWGGPJAQF-SNVBAGLBSA-N 0 0 371.484 -0.200 20 10 FBCDRN CN(C)C(=O)c1n[nH]c2c1CCN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001271840979 836400619 /nfs/dbraw/zinc/40/06/19/836400619.db2.gz FBUFBOQDUKMOBP-UHFFFAOYSA-N 0 0 367.456 -0.144 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@@H]2C[C@@]21C(=O)NCC1COC1 ZINC001271840984 836400714 /nfs/dbraw/zinc/40/07/14/836400714.db2.gz FHMCYRHOQFDRQK-BMIGLBTASA-N 0 0 369.468 -0.400 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@H]2C[C@]21C(=O)NCC1COC1 ZINC001271840987 836400722 /nfs/dbraw/zinc/40/07/22/836400722.db2.gz FHMCYRHOQFDRQK-ZUZCIYMTSA-N 0 0 369.468 -0.400 20 10 FBCDRN NC(=O)[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)Cc2ccnn21 ZINC001271841123 836401430 /nfs/dbraw/zinc/40/14/30/836401430.db2.gz HNNGVRHXAJYONY-SECBINFHSA-N 0 0 353.429 -0.498 20 10 FBCDRN NC(=O)[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)Cc2ccnn21 ZINC001271841124 836401617 /nfs/dbraw/zinc/40/16/17/836401617.db2.gz HNNGVRHXAJYONY-VIFPVBQESA-N 0 0 353.429 -0.498 20 10 FBCDRN CN(C)C(=O)c1cnc2n1CCN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001271841285 836401415 /nfs/dbraw/zinc/40/14/15/836401415.db2.gz JHAPBXNRTIDKEF-UHFFFAOYSA-N 0 0 367.456 -0.213 20 10 FBCDRN COCCN(C)C(=O)[C@@H]1CC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001271841321 836401375 /nfs/dbraw/zinc/40/13/75/836401375.db2.gz JVGURQYJCGFPAA-JTQLQIEISA-N 0 0 371.484 -0.200 20 10 FBCDRN COCCN(C)C(=O)[C@H]1CC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001271841322 836401552 /nfs/dbraw/zinc/40/15/52/836401552.db2.gz JVGURQYJCGFPAA-SNVBAGLBSA-N 0 0 371.484 -0.200 20 10 FBCDRN NC(=O)c1ccc2c(n1)CCN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001271841345 836401699 /nfs/dbraw/zinc/40/16/99/836401699.db2.gz KHVATMXPJIYWSB-UHFFFAOYSA-N 0 0 350.425 -0.075 20 10 FBCDRN COCCN(C)C(=O)C12CC(NC(=O)CN3C(=O)CSC3=S)(C1)C2 ZINC001271841370 836401593 /nfs/dbraw/zinc/40/15/93/836401593.db2.gz KVZAWMIQQCHAOY-UHFFFAOYSA-N 0 0 371.484 -0.010 20 10 FBCDRN CN(C)C(=O)c1n[nH]c2c1CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001271841436 836401640 /nfs/dbraw/zinc/40/16/40/836401640.db2.gz LRGYJMGQHFLRNB-UHFFFAOYSA-N 0 0 353.429 -0.186 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@H]2C[C@@]2(C(=O)NCC2COC2)C1 ZINC001271841540 836401434 /nfs/dbraw/zinc/40/14/34/836401434.db2.gz OAOPPRWDVXMLNJ-MEBBXXQBSA-N 0 0 369.468 -0.542 20 10 FBCDRN CN(C)C(=O)c1cn2c(n1)CN(C(=O)CN1C(=O)CSC1=S)CC2 ZINC001271841587 836401405 /nfs/dbraw/zinc/40/14/05/836401405.db2.gz PFFYTUSDRQSGCT-UHFFFAOYSA-N 0 0 367.456 -0.213 20 10 FBCDRN C[C@@H]1c2ncc(CC(N)=O)n2CCN1C(=O)CN1C(=O)CSC1=S ZINC001271841607 836401623 /nfs/dbraw/zinc/40/16/23/836401623.db2.gz QHHAYLIPSIUNFK-MRVPVSSYSA-N 0 0 367.456 -0.326 20 10 FBCDRN C[C@H]1c2ncc(CC(N)=O)n2CCN1C(=O)CN1C(=O)CSC1=S ZINC001271841608 836401600 /nfs/dbraw/zinc/40/16/00/836401600.db2.gz QHHAYLIPSIUNFK-QMMMGPOBSA-N 0 0 367.456 -0.326 20 10 FBCDRN CN(C)C(=O)c1nnc2n1CCN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001271841613 836401721 /nfs/dbraw/zinc/40/17/21/836401721.db2.gz QMFKJZZALKFDJX-UHFFFAOYSA-N 0 0 368.444 -0.818 20 10 FBCDRN CN(C)C(=O)C[C@H]1C[C@@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@@H]2O1 ZINC001271841677 836401500 /nfs/dbraw/zinc/40/15/00/836401500.db2.gz RJGWNXXDCJQYBZ-MXWKQRLJSA-N 0 0 371.484 -0.059 20 10 FBCDRN CN(C)C(=O)C[C@@H]1C[C@@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@@H]2O1 ZINC001271841678 836401691 /nfs/dbraw/zinc/40/16/91/836401691.db2.gz RJGWNXXDCJQYBZ-VWYCJHECSA-N 0 0 371.484 -0.059 20 10 FBCDRN C[C@@H]1c2nc(C(N)=O)cn2CCN1C(=O)CN1C(=O)CSC1=S ZINC001271841718 836401586 /nfs/dbraw/zinc/40/15/86/836401586.db2.gz SCXJUJHPBDSQQI-SSDOTTSWSA-N 0 0 353.429 -0.255 20 10 FBCDRN C[C@H]1c2nc(C(N)=O)cn2CCN1C(=O)CN1C(=O)CSC1=S ZINC001271841721 836401681 /nfs/dbraw/zinc/40/16/81/836401681.db2.gz SCXJUJHPBDSQQI-ZETCQYMHSA-N 0 0 353.429 -0.255 20 10 FBCDRN Cn1cnc([C@@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@H]2C(N)=O)c1 ZINC001271841800 836401464 /nfs/dbraw/zinc/40/14/64/836401464.db2.gz SZHLDAFCICIJBV-RKDXNWHRSA-N 0 0 367.456 -0.692 20 10 FBCDRN CN(C)C(=O)[C@H]1CCC2(CN(C(=O)CN3C(=O)CSC3=S)C2)O1 ZINC001271841801 836401655 /nfs/dbraw/zinc/40/16/55/836401655.db2.gz SZJYRQRLSNXYDI-SECBINFHSA-N 0 0 357.457 -0.305 20 10 FBCDRN CN(C)C(=O)[C@@H]1CCC2(CN(C(=O)CN3C(=O)CSC3=S)C2)O1 ZINC001271841802 836401391 /nfs/dbraw/zinc/40/13/91/836401391.db2.gz SZJYRQRLSNXYDI-VIFPVBQESA-N 0 0 357.457 -0.305 20 10 FBCDRN C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)CN1C(=O)CSC1=S ZINC001271841813 836401530 /nfs/dbraw/zinc/40/15/30/836401530.db2.gz TZLQGGYNSQSKKM-SSDOTTSWSA-N 0 0 368.444 -0.990 20 10 FBCDRN C[C@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)CN1C(=O)CSC1=S ZINC001271841814 836401492 /nfs/dbraw/zinc/40/14/92/836401492.db2.gz TZLQGGYNSQSKKM-ZETCQYMHSA-N 0 0 368.444 -0.990 20 10 FBCDRN CN(C)C(=O)c1n[nH]c2c1CN(C(=O)CN1C(=O)CSC1=S)CC2 ZINC001271841855 836401364 /nfs/dbraw/zinc/40/13/64/836401364.db2.gz URSMJPSLVLMIRS-UHFFFAOYSA-N 0 0 367.456 -0.144 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C[C@H]2C(=O)NCC2COC2)C1 ZINC001271841878 836401385 /nfs/dbraw/zinc/40/13/85/836401385.db2.gz VDXPMQBKOAVPMV-JTQLQIEISA-N 0 0 369.468 -0.542 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C[C@@H]2C(=O)NCC2COC2)C1 ZINC001271841880 836401421 /nfs/dbraw/zinc/40/14/21/836401421.db2.gz VDXPMQBKOAVPMV-SNVBAGLBSA-N 0 0 369.468 -0.542 20 10 FBCDRN COCCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001271841995 836401558 /nfs/dbraw/zinc/40/15/58/836401558.db2.gz WJWSURZLDZDPQG-MEBBXXQBSA-N 0 0 371.484 -0.200 20 10 FBCDRN O=C(CN1C(=O)CSC1=S)NC12CC(C(=O)NCC3COC3)(C1)C2 ZINC001271842054 836401507 /nfs/dbraw/zinc/40/15/07/836401507.db2.gz YHPCUHATDJRKRJ-UHFFFAOYSA-N 0 0 369.468 -0.352 20 10 FBCDRN O=C(c1cc(O)c(O)c(O)c1)N1CC2(C1)COCC(=O)N2C1COC1 ZINC001271881717 836404067 /nfs/dbraw/zinc/40/40/67/836404067.db2.gz BREIXTUMBJBTPU-UHFFFAOYSA-N 0 0 350.327 -0.744 20 10 FBCDRN O=C(c1cc(O)c(O)c(O)c1)N1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001271882139 836403848 /nfs/dbraw/zinc/40/38/48/836403848.db2.gz HQZCTCMTTPQBLF-UHFFFAOYSA-N 0 0 350.327 -0.744 20 10 FBCDRN O=C(c1ccc(O)c(O)c1O)N1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001271883015 836404015 /nfs/dbraw/zinc/40/40/15/836404015.db2.gz UBJKWEIECYKKBS-UHFFFAOYSA-N 0 0 350.327 -0.744 20 10 FBCDRN O=C(c1ccc(O)c(O)c1O)N1CC2(C1)COCC(=O)N2C1COC1 ZINC001271883017 836404183 /nfs/dbraw/zinc/40/41/83/836404183.db2.gz UDYDWRHHUKLSFL-UHFFFAOYSA-N 0 0 350.327 -0.744 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H](C1)O2 ZINC001272002486 836412510 /nfs/dbraw/zinc/41/25/10/836412510.db2.gz DKOBVPYRKWCXRN-TXEJJXNPSA-N 0 0 371.415 -0.571 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc(O)c(O)c1 ZINC001272002979 836413209 /nfs/dbraw/zinc/41/32/09/836413209.db2.gz QNOODAPFQYJAQA-TXEJJXNPSA-N 0 0 371.415 -0.571 20 10 FBCDRN CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]21 ZINC001272003650 836414625 /nfs/dbraw/zinc/41/46/25/836414625.db2.gz ZRWPDQBGTZNSPX-FZMZJTMJSA-N 0 0 371.415 -0.571 20 10 FBCDRN CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]21 ZINC001272003651 836414393 /nfs/dbraw/zinc/41/43/93/836414393.db2.gz ZRWPDQBGTZNSPX-RISCZKNCSA-N 0 0 371.415 -0.571 20 10 FBCDRN CN(C)S(=O)(=O)N1CC2(CN(C(=O)c3ccc(O)c(O)c3O)C2)C1 ZINC001272047841 836436887 /nfs/dbraw/zinc/43/68/87/836436887.db2.gz CDRDMMNEXBJXBD-UHFFFAOYSA-N 0 0 357.388 -0.632 20 10 FBCDRN CN(C)S(=O)(=O)N1CCC12CN(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001272047847 836437015 /nfs/dbraw/zinc/43/70/15/836437015.db2.gz CIUMWCUWGKTIHV-UHFFFAOYSA-N 0 0 357.388 -0.490 20 10 FBCDRN CN(C)S(=O)(=O)N1CC2(CN(C(=O)c3cc(O)c(O)c(O)c3)C2)C1 ZINC001272048098 836436613 /nfs/dbraw/zinc/43/66/13/836436613.db2.gz GEAJCMWSZFEUDS-UHFFFAOYSA-N 0 0 357.388 -0.632 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001272048124 836436353 /nfs/dbraw/zinc/43/63/53/836436353.db2.gz GWXMIWMPCWHIEJ-ZJUUUORDSA-N 0 0 371.415 -0.244 20 10 FBCDRN CN(C)S(=O)(=O)N1CCC12CN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001272048161 836436802 /nfs/dbraw/zinc/43/68/02/836436802.db2.gz HSGQWDYMVHGHBP-UHFFFAOYSA-N 0 0 357.388 -0.490 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1 ZINC001272048639 836436914 /nfs/dbraw/zinc/43/69/14/836436914.db2.gz LZDQSMZHEMWITC-AOOOYVTPSA-N 0 0 357.388 -0.492 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1 ZINC001272048668 836436461 /nfs/dbraw/zinc/43/64/61/836436461.db2.gz MKIHQEFIUBFIAO-PHIMTYICSA-N 0 0 371.415 -0.101 20 10 FBCDRN CN(C)S(=O)(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(O)c1 ZINC001272048808 836437100 /nfs/dbraw/zinc/43/71/00/836437100.db2.gz MSZAWNUYDSKZJK-QWRGUYRKSA-N 0 0 371.415 -0.101 20 10 FBCDRN CN(C)S(=O)(=O)N1CCC2(CN(C(=O)c3ccc(O)c(O)c3O)C2)C1 ZINC001272048860 836436818 /nfs/dbraw/zinc/43/68/18/836436818.db2.gz NZKWUZWDWQHRPL-UHFFFAOYSA-N 0 0 371.415 -0.242 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@@H]2CCN(C(=O)c3cc(O)c(O)c(O)c3)[C@@H]2C1 ZINC001272048862 836436860 /nfs/dbraw/zinc/43/68/60/836436860.db2.gz NZMKQYFHPUIKCP-GXSJLCMTSA-N 0 0 371.415 -0.244 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001272048895 836437109 /nfs/dbraw/zinc/43/71/09/836437109.db2.gz OKNJIKIMBPCBKI-KOLCDFICSA-N 0 0 371.415 -0.244 20 10 FBCDRN CN(C)S(=O)(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(O)c(O)c1O ZINC001272049507 836436902 /nfs/dbraw/zinc/43/69/02/836436902.db2.gz RKCOKEDHAFSIKX-QWRGUYRKSA-N 0 0 371.415 -0.101 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@@H]2CCN(C(=O)c3ccc(O)c(O)c3O)[C@@H]2C1 ZINC001272049843 836437786 /nfs/dbraw/zinc/43/77/86/836437786.db2.gz UYLQPNUZZLVYTM-GXSJLCMTSA-N 0 0 371.415 -0.244 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1O ZINC001272050022 836437987 /nfs/dbraw/zinc/43/79/87/836437987.db2.gz WHZRSRMRRXNBAP-DTORHVGOSA-N 0 0 357.388 -0.492 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1O ZINC001272050319 836437764 /nfs/dbraw/zinc/43/77/64/836437764.db2.gz ZXMSXSUAWWOEDK-AOOOYVTPSA-N 0 0 371.415 -0.101 20 10 FBCDRN CN(C)S(=O)(=O)N1CCC12CN(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001272705818 837195403 /nfs/dbraw/zinc/19/54/03/837195403.db2.gz IECCSBGLNWCNJK-UHFFFAOYSA-N 0 0 355.416 -0.267 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001272705834 837195564 /nfs/dbraw/zinc/19/55/64/837195564.db2.gz ILXNHHYBSQUVBI-OLZOCXBDSA-N 0 0 369.443 -0.021 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)Cc1ccc(O)c(O)c1 ZINC001272706682 837196014 /nfs/dbraw/zinc/19/60/14/837196014.db2.gz NAAFLAMRCPKWOR-TXEJJXNPSA-N 0 0 355.416 -0.268 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@@H]2CCN(C(=O)Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001272706813 837196273 /nfs/dbraw/zinc/19/62/73/837196273.db2.gz QCIHKNUOGUSBHQ-QWHCGFSZSA-N 0 0 369.443 -0.021 20 10 FBCDRN CN(C)S(=O)(=O)N1CC2(CN(C(=O)Cc3ccc(O)c(O)c3)C2)C1 ZINC001272707878 837196486 /nfs/dbraw/zinc/19/64/86/837196486.db2.gz XFXPUMVOIHQGFO-UHFFFAOYSA-N 0 0 355.416 -0.409 20 10 FBCDRN CN(C)S(=O)(=O)N1CCC2(CN(C(=O)Cc3ccc(O)c(O)c3)C2)C1 ZINC001272707882 837196216 /nfs/dbraw/zinc/19/62/16/837196216.db2.gz XNJHUNASYNXCDL-UHFFFAOYSA-N 0 0 369.443 -0.019 20 10 FBCDRN NC(=O)c1cn2c(n1)CN(C(=O)CCCN1C(=O)CSC1=S)CC2 ZINC001273201109 838058731 /nfs/dbraw/zinc/05/87/31/838058731.db2.gz ALZAQVDUXOZXDG-UHFFFAOYSA-N 0 0 367.456 -0.035 20 10 FBCDRN NC(=O)c1[nH]nc2c1CN(C(=O)CCCN1C(=O)CSC1=S)C2 ZINC001273201206 838061809 /nfs/dbraw/zinc/06/18/09/838061809.db2.gz BKHQCGYNRBFQPP-UHFFFAOYSA-N 0 0 353.429 -0.009 20 10 FBCDRN NC(=O)c1nnc2n1CCN(C(=O)CCCN1C(=O)CSC1=S)C2 ZINC001273201219 838061496 /nfs/dbraw/zinc/06/14/96/838061496.db2.gz BMLBKJVHZPZKOP-UHFFFAOYSA-N 0 0 368.444 -0.640 20 10 FBCDRN NC(=O)C1=NO[C@@H]2CN(C(=O)CCCN3C(=O)CSC3=S)C[C@H]12 ZINC001273201475 838065133 /nfs/dbraw/zinc/06/51/33/838065133.db2.gz DBGXCQUXIIQWOS-JGVFFNPUSA-N 0 0 356.429 -0.675 20 10 FBCDRN NC(=O)c1cnc2n1CCN(C(=O)CCCN1C(=O)CSC1=S)C2 ZINC001273203734 838173757 /nfs/dbraw/zinc/17/37/57/838173757.db2.gz RLZWBFWPSMRBCD-UHFFFAOYSA-N 0 0 367.456 -0.035 20 10 FBCDRN NC(=O)[C@@H]1COCCC12CN(C(=O)CCCN1C(=O)CSC1=S)C2 ZINC001273203978 838237222 /nfs/dbraw/zinc/23/72/22/838237222.db2.gz SKGSKGMRUAOVJF-JTQLQIEISA-N 0 0 371.484 -0.023 20 10 FBCDRN NC(=O)[C@H]1COCCC12CN(C(=O)CCCN1C(=O)CSC1=S)C2 ZINC001273203989 838235686 /nfs/dbraw/zinc/23/56/86/838235686.db2.gz SKGSKGMRUAOVJF-SNVBAGLBSA-N 0 0 371.484 -0.023 20 10 FBCDRN NC(=O)[C@H]1CCC2(CN(C(=O)CCCN3C(=O)CSC3=S)C2)O1 ZINC001273204414 838717750 /nfs/dbraw/zinc/71/77/50/838717750.db2.gz VSNHSNMHUNEJPS-SECBINFHSA-N 0 0 357.457 -0.128 20 10 FBCDRN NC(=O)[C@@H]1CCC2(CN(C(=O)CCCN3C(=O)CSC3=S)C2)O1 ZINC001273204415 838718392 /nfs/dbraw/zinc/71/83/92/838718392.db2.gz VSNHSNMHUNEJPS-VIFPVBQESA-N 0 0 357.457 -0.128 20 10 FBCDRN CN1C[C@@]2(F)CN(C(=O)[C@@H](O)Cc3ccc(O)c(O)c3)C[C@@]2(F)C1=O ZINC001273626658 840873446 /nfs/dbraw/zinc/87/34/46/840873446.db2.gz FFRLOZADEXOQAN-APHBMKBZSA-N 0 0 356.325 -0.268 20 10 FBCDRN CN1C[C@@]2(F)CN(C(=O)[C@H](O)Cc3ccc(O)c(O)c3)C[C@@]2(F)C1=O ZINC001273626659 840873088 /nfs/dbraw/zinc/87/30/88/840873088.db2.gz FFRLOZADEXOQAN-DAXOMENPSA-N 0 0 356.325 -0.268 20 10 FBCDRN CN1C[C@]2(CCN(C(=O)[C@H](O)Cc3ccc(O)c(O)c3)C2)OCC1=O ZINC001273627855 840877223 /nfs/dbraw/zinc/87/72/23/840877223.db2.gz WTKHFVLGSZWHHH-PBHICJAKSA-N 0 0 350.371 -0.539 20 10 FBCDRN CN1C[C@@]2(CCN(C(=O)[C@H](O)Cc3ccc(O)c(O)c3)C2)OCC1=O ZINC001273627857 840877006 /nfs/dbraw/zinc/87/70/06/840877006.db2.gz WTKHFVLGSZWHHH-RHSMWYFYSA-N 0 0 350.371 -0.539 20 10 FBCDRN CN1C[C@@]2(CCN(C(=O)[C@@H](O)Cc3ccc(O)c(O)c3)C2)OCC1=O ZINC001273627859 840877079 /nfs/dbraw/zinc/87/70/79/840877079.db2.gz WTKHFVLGSZWHHH-WMLDXEAASA-N 0 0 350.371 -0.539 20 10 FBCDRN CN1C[C@]2(CCN(C(=O)[C@@H](O)Cc3ccc(O)c(O)c3)C2)OCC1=O ZINC001273627861 840877393 /nfs/dbraw/zinc/87/73/93/840877393.db2.gz WTKHFVLGSZWHHH-YOEHRIQHSA-N 0 0 350.371 -0.539 20 10 FBCDRN CN(C)S(=O)(=O)N1CC2(CN(C(=O)CCc3ccc(O)c(O)c3)C2)C1 ZINC001274273253 841828892 /nfs/dbraw/zinc/82/88/92/841828892.db2.gz PZXXCQQSQXKRGQ-UHFFFAOYSA-N 0 0 369.443 -0.019 20 10 FBCDRN COc1cc(CN2CC3(C2)CN(C2COC2)C(=O)CO3)cc(O)c1O ZINC001275677075 841953582 /nfs/dbraw/zinc/95/35/82/841953582.db2.gz XNGBKRVGECWLAW-UHFFFAOYSA-N 0 0 350.371 -0.082 20 10 FBCDRN COc1cc(CN2CC3(C2)COCC(=O)N3C2COC2)cc(O)c1O ZINC001275677141 841953515 /nfs/dbraw/zinc/95/35/15/841953515.db2.gz ZHKZVULQGRPNTD-UHFFFAOYSA-N 0 0 350.371 -0.082 20 10 FBCDRN COc1cc(CN2CC3(C2)COCC(=O)N3C2COC2)c(O)cc1O ZINC001276707680 844439100 /nfs/dbraw/zinc/43/91/00/844439100.db2.gz BNDGRGOLQOORTP-UHFFFAOYSA-N 0 0 350.371 -0.082 20 10 FBCDRN COc1cc(CN2CC3(C2)CN(C2COC2)C(=O)CO3)c(O)cc1O ZINC001276710055 844456280 /nfs/dbraw/zinc/45/62/80/844456280.db2.gz VHPTUPZQKLWDAV-UHFFFAOYSA-N 0 0 350.371 -0.082 20 10 FBCDRN NC(=O)[C@@H]1CCSC12CN(C(=O)[C@@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001277798138 846002013 /nfs/dbraw/zinc/00/20/13/846002013.db2.gz UFMCGBVLLAADGS-GWCFXTLKSA-N 0 0 352.412 -0.179 20 10 FBCDRN NC(=O)[C@@H]1CCSC12CN(C(=O)[C@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001277798139 846002349 /nfs/dbraw/zinc/00/23/49/846002349.db2.gz UFMCGBVLLAADGS-GXFFZTMASA-N 0 0 352.412 -0.179 20 10 FBCDRN NC(=O)[C@H]1CCSC12CN(C(=O)[C@@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001277798141 846002250 /nfs/dbraw/zinc/00/22/50/846002250.db2.gz UFMCGBVLLAADGS-MFKMUULPSA-N 0 0 352.412 -0.179 20 10 FBCDRN NC(=O)[C@H]1CCSC12CN(C(=O)[C@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001277798142 846001718 /nfs/dbraw/zinc/00/17/18/846001718.db2.gz UFMCGBVLLAADGS-ZWNOBZJWSA-N 0 0 352.412 -0.179 20 10 FBCDRN NC(=O)C[C@@H]1C[C@@H]2CN(C(=O)[C@H](O)Cc3ccc(O)c(O)c3)C[C@@H]2O1 ZINC001277798408 846001766 /nfs/dbraw/zinc/00/17/66/846001766.db2.gz XESPDOWMDHXXPP-BVIHXZOGSA-N 0 0 350.371 -0.508 20 10 FBCDRN NC(=O)C[C@H]1C[C@@H]2CN(C(=O)[C@@H](O)Cc3ccc(O)c(O)c3)C[C@@H]2O1 ZINC001277798409 846002379 /nfs/dbraw/zinc/00/23/79/846002379.db2.gz XESPDOWMDHXXPP-FIXIBIHLSA-N 0 0 350.371 -0.508 20 10 FBCDRN NC(=O)C[C@H]1C[C@@H]2CN(C(=O)[C@H](O)Cc3ccc(O)c(O)c3)C[C@@H]2O1 ZINC001277798410 846002257 /nfs/dbraw/zinc/00/22/57/846002257.db2.gz XESPDOWMDHXXPP-FKGLVLAHSA-N 0 0 350.371 -0.508 20 10 FBCDRN NC(=O)C[C@@H]1C[C@@H]2CN(C(=O)[C@@H](O)Cc3ccc(O)c(O)c3)C[C@@H]2O1 ZINC001277798411 846002222 /nfs/dbraw/zinc/00/22/22/846002222.db2.gz XESPDOWMDHXXPP-PKIAMQTDSA-N 0 0 350.371 -0.508 20 10 FBCDRN NC(=O)[C@H]1COCCC12CN(C(=O)[C@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001277798485 846001948 /nfs/dbraw/zinc/00/19/48/846001948.db2.gz ZNVJYDLSTLHMGT-BXUZGUMPSA-N 0 0 350.371 -0.648 20 10 FBCDRN NC(=O)[C@@H]1COCCC12CN(C(=O)[C@@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001277798486 846002406 /nfs/dbraw/zinc/00/24/06/846002406.db2.gz ZNVJYDLSTLHMGT-FZMZJTMJSA-N 0 0 350.371 -0.648 20 10 FBCDRN NC(=O)[C@H]1COCCC12CN(C(=O)[C@@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001277798487 846002358 /nfs/dbraw/zinc/00/23/58/846002358.db2.gz ZNVJYDLSTLHMGT-RISCZKNCSA-N 0 0 350.371 -0.648 20 10 FBCDRN NC(=O)[C@@H]1COCCC12CN(C(=O)[C@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001277798488 846002304 /nfs/dbraw/zinc/00/23/04/846002304.db2.gz ZNVJYDLSTLHMGT-SMDDNHRTSA-N 0 0 350.371 -0.648 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2Cc1c(O)cc(O)cc1O ZINC001278428565 846094579 /nfs/dbraw/zinc/09/45/79/846094579.db2.gz PTUCCHXVIPWXND-PHIMTYICSA-N 0 0 373.431 -0.505 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2CN(Cc3c(O)cc(O)cc3O)C[C@@H](C1)O2 ZINC001278428597 846094489 /nfs/dbraw/zinc/09/44/89/846094489.db2.gz RLPGFXUIHGXPME-TXEJJXNPSA-N 0 0 373.431 -0.505 20 10 FBCDRN CN(C)C(=O)CN1C[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@H](C1)O2 ZINC001278428780 846094919 /nfs/dbraw/zinc/09/49/19/846094919.db2.gz VSNZLEGCPPLVGJ-BETUJISGSA-N 0 0 351.403 -0.223 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2CN(Cc3cc(O)ccc3O)C[C@@H](C1)O2 ZINC001278750195 846240738 /nfs/dbraw/zinc/24/07/38/846240738.db2.gz HPHUNEZPZIYAQY-OKILXGFUSA-N 0 0 357.432 -0.211 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2Cc1cc(O)ccc1O ZINC001278751333 846240530 /nfs/dbraw/zinc/24/05/30/846240530.db2.gz XFXGXWAJWMNDIG-BETUJISGSA-N 0 0 357.432 -0.211 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2Cc1ccc(O)c(O)c1 ZINC001279140992 846871569 /nfs/dbraw/zinc/87/15/69/846871569.db2.gz ALMUYDQLEPYRPE-BETUJISGSA-N 0 0 357.432 -0.211 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H](C1)O2 ZINC001279141828 846871603 /nfs/dbraw/zinc/87/16/03/846871603.db2.gz ISVOWFGCXAPHPN-BETUJISGSA-N 0 0 357.432 -0.211 20 10 FBCDRN CN(C)S(=O)(=O)N1CCO[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001279143062 846871581 /nfs/dbraw/zinc/87/15/81/846871581.db2.gz ZBTVLPFYEYJNKA-DOMZBBRYSA-N 0 0 357.432 -0.211 20 10 FBCDRN CN(C)S(=O)(=O)N1CCO[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001279143063 846871271 /nfs/dbraw/zinc/87/12/71/846871271.db2.gz ZBTVLPFYEYJNKA-WFASDCNBSA-N 0 0 357.432 -0.211 20 10 FBCDRN CN(C)c1ccc(CN2C[C@]3(CCN(S(N)(=O)=O)C3)OCC2=O)cc1 ZINC001279219886 846884271 /nfs/dbraw/zinc/88/42/71/846884271.db2.gz LCFNWORFTLBBSH-INIZCTEOSA-N 0 0 368.459 -0.241 20 10 FBCDRN CN(C)c1ccc(CN2C[C@@]3(CCN(S(N)(=O)=O)C3)OCC2=O)cc1 ZINC001279219887 846884219 /nfs/dbraw/zinc/88/42/19/846884219.db2.gz LCFNWORFTLBBSH-MRXNPFEDSA-N 0 0 368.459 -0.241 20 10 FBCDRN CN(C)c1ccc(CN2C(=O)COCC23CN(S(N)(=O)=O)C3)cc1 ZINC001279220143 846884975 /nfs/dbraw/zinc/88/49/75/846884975.db2.gz RHXFZIDBEDMVDI-UHFFFAOYSA-N 0 0 354.432 -0.631 20 10 FBCDRN CN(C)c1ccc(CN2CC3(CN(S(N)(=O)=O)C3)OCC2=O)cc1 ZINC001279220256 846885331 /nfs/dbraw/zinc/88/53/31/846885331.db2.gz UVPJKACXBJJZJV-UHFFFAOYSA-N 0 0 354.432 -0.631 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2CN(Cc3ccc(O)cc3O)C[C@@H](C1)O2 ZINC001279226129 846888570 /nfs/dbraw/zinc/88/85/70/846888570.db2.gz WBDVPAHIEOJXEE-OKILXGFUSA-N 0 0 357.432 -0.211 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2Cc1ccc(O)cc1O ZINC001279226341 846888409 /nfs/dbraw/zinc/88/84/09/846888409.db2.gz ZSUCSVVEKCUQBU-BETUJISGSA-N 0 0 357.432 -0.211 20 10 FBCDRN COc1cc(C(=O)N2CC3(CCN3S(=O)(=O)N(C)C)C2)cc(O)c1O ZINC001279507736 846907685 /nfs/dbraw/zinc/90/76/85/846907685.db2.gz WPSZVMJISXLLRM-UHFFFAOYSA-N 0 0 371.415 -0.187 20 10 FBCDRN CN(C)S(=O)(=O)N1CCO[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001279513838 846909221 /nfs/dbraw/zinc/90/92/21/846909221.db2.gz AQCVZYNBUCDUKM-ABAIWWIYSA-N 0 0 373.431 -0.505 20 10 FBCDRN CN(C)S(=O)(=O)N1CCO[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001279513839 846908935 /nfs/dbraw/zinc/90/89/35/846908935.db2.gz AQCVZYNBUCDUKM-NHYWBVRUSA-N 0 0 373.431 -0.505 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@@H](C1)O2 ZINC001279514048 846908805 /nfs/dbraw/zinc/90/88/05/846908805.db2.gz FQIOUQQADNWSGT-TXEJJXNPSA-N 0 0 373.431 -0.505 20 10 FBCDRN CN(C)C(=O)CN1CCO[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001279514200 846908478 /nfs/dbraw/zinc/90/84/78/846908478.db2.gz IJTNKDHVPKTJIC-LRDDRELGSA-N 0 0 351.403 -0.223 20 10 FBCDRN CN(C)C(=O)CN1CCO[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001279514201 846908827 /nfs/dbraw/zinc/90/88/27/846908827.db2.gz IJTNKDHVPKTJIC-WBMJQRKESA-N 0 0 351.403 -0.223 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2Cc1cc(O)c(O)cc1O ZINC001279514729 846908628 /nfs/dbraw/zinc/90/86/28/846908628.db2.gz SYARBVFAWUDYMZ-TXEJJXNPSA-N 0 0 373.431 -0.505 20 10 FBCDRN CN(C)C(=O)CN1C[C@@H]2COC[C@H](C1)N2Cc1cc(O)c(O)cc1O ZINC001279514907 846908423 /nfs/dbraw/zinc/90/84/23/846908423.db2.gz WMMSEPYBJXOOBM-BETUJISGSA-N 0 0 351.403 -0.223 20 10 FBCDRN CN(C)C(=O)CN1C[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@@H](C1)O2 ZINC001279515087 846909045 /nfs/dbraw/zinc/90/90/45/846909045.db2.gz ZVQYVUBJIWWLFU-BETUJISGSA-N 0 0 351.403 -0.223 20 10 FBCDRN CN(C)C(=O)CN1C[C@@H]2COC[C@H](C1)N2Cc1cc(O)c(O)c(O)c1 ZINC001279681616 846920611 /nfs/dbraw/zinc/92/06/11/846920611.db2.gz DBJOVGAMACHMFN-BETUJISGSA-N 0 0 351.403 -0.223 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2Cc1cc(O)c(O)c(O)c1 ZINC001279681871 846921130 /nfs/dbraw/zinc/92/11/30/846921130.db2.gz HROWRPXMQSPZSO-TXEJJXNPSA-N 0 0 373.431 -0.505 20 10 FBCDRN CN(C)C(=O)CN1C[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@@H](C1)O2 ZINC001279682359 846921174 /nfs/dbraw/zinc/92/11/74/846921174.db2.gz OYNUIDGXBKIUHL-BETUJISGSA-N 0 0 351.403 -0.223 20 10 FBCDRN CN(C)C(=O)CN1CCO[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001279682632 846921120 /nfs/dbraw/zinc/92/11/20/846921120.db2.gz UQQHQNMFEFXAAA-DOMZBBRYSA-N 0 0 351.403 -0.223 20 10 FBCDRN CN(C)C(=O)CN1CCO[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001279682634 846920409 /nfs/dbraw/zinc/92/04/09/846920409.db2.gz UQQHQNMFEFXAAA-WFASDCNBSA-N 0 0 351.403 -0.223 20 10 FBCDRN CN(C)S(=O)(=O)N1CCO[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001279682839 846920899 /nfs/dbraw/zinc/92/08/99/846920899.db2.gz YPKQHLGJUGRJNH-FZMZJTMJSA-N 0 0 373.431 -0.505 20 10 FBCDRN CN(C)S(=O)(=O)N1CCO[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001279682840 846920679 /nfs/dbraw/zinc/92/06/79/846920679.db2.gz YPKQHLGJUGRJNH-RISCZKNCSA-N 0 0 373.431 -0.505 20 10 FBCDRN CN(C)S(=O)(=O)N1C[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@@H](C1)O2 ZINC001279682881 846920733 /nfs/dbraw/zinc/92/07/33/846920733.db2.gz ZYAMXNSSVHJTAV-TXEJJXNPSA-N 0 0 373.431 -0.505 20 10 FBCDRN CS(=O)(=O)CCNC(=O)C1=NO[C@@H]2CN(Cc3ccccc3O)C[C@H]12 ZINC001279969400 846950776 /nfs/dbraw/zinc/95/07/76/846950776.db2.gz YSCNPCICBMSDHB-GXTWGEPZSA-N 0 0 367.427 -0.260 20 10 FBCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001292065264 847958317 /nfs/dbraw/zinc/95/83/17/847958317.db2.gz GEMQJOSTJVXTDZ-AWEZNQCLSA-N 0 0 367.427 -0.947 20 10 FBCDRN C[C@@H]1CN(CCO)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001299280091 837664914 /nfs/dbraw/zinc/66/49/14/837664914.db2.gz BIXXFSQGUYDXSH-LLVKDONJSA-N 0 0 357.432 -0.098 20 10 FBCDRN C[C@H]1CN(CCO)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001299280092 837664973 /nfs/dbraw/zinc/66/49/73/837664973.db2.gz BIXXFSQGUYDXSH-NSHDSACASA-N 0 0 357.432 -0.098 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CS(=O)(=O)C1 ZINC001300544188 852215917 /nfs/dbraw/zinc/21/59/17/852215917.db2.gz GLDDNKPGTNXJFC-UHFFFAOYSA-N 0 0 372.468 -0.418 20 10 FBCDRN Cc1nc(S(=O)(=O)NCC(=O)NCc2c(O)cccc2O)cn1C ZINC001304051034 848142463 /nfs/dbraw/zinc/14/24/63/848142463.db2.gz SFKJMNLZEFSSQS-UHFFFAOYSA-N 0 0 354.388 -0.266 20 10 FBCDRN COc1c(O)c(CN2CCN3[C@@H](CNS3(=O)=O)C2)ccc1[N+](=O)[O-] ZINC001308952023 848185222 /nfs/dbraw/zinc/18/52/22/848185222.db2.gz MSXVEDCJICSFCX-JTQLQIEISA-N 0 0 358.376 -0.357 20 10 FBCDRN COc1c(O)c(CN2CCN3[C@H](CNS3(=O)=O)C2)ccc1[N+](=O)[O-] ZINC001308952028 848185188 /nfs/dbraw/zinc/18/51/88/848185188.db2.gz MSXVEDCJICSFCX-SNVBAGLBSA-N 0 0 358.376 -0.357 20 10 FBCDRN COc1cccc(CNS(=O)(=O)CCCCS(N)(=O)=O)c1O ZINC001309223200 848193782 /nfs/dbraw/zinc/19/37/82/848193782.db2.gz NFDFYQMRLDZPHT-UHFFFAOYSA-N 0 0 352.434 -0.111 20 10 FBCDRN Cn1cc(S(=O)(=O)NCc2cccc(Cl)c2O)c(=O)n(C)c1=O ZINC001309941567 848238709 /nfs/dbraw/zinc/23/87/09/848238709.db2.gz UOWMLHZSEYAICH-UHFFFAOYSA-N 0 0 359.791 -0.079 20 10 FBCDRN Cn1nnc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 ZINC001311171540 848251478 /nfs/dbraw/zinc/25/14/78/848251478.db2.gz PEIQUCDWRVDAQB-UHFFFAOYSA-N 0 0 365.419 -0.233 20 10 FBCDRN CN(CCS(N)(=O)=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001311691772 848257281 /nfs/dbraw/zinc/25/72/81/848257281.db2.gz ZSYMWQLGQAYSPO-UHFFFAOYSA-N 0 0 356.448 -0.047 20 10 FBCDRN COCCN1C(=O)C(=CNC2CCN(C(C)=O)CC2)C(=O)NC1=S ZINC001317929512 848348040 /nfs/dbraw/zinc/34/80/40/848348040.db2.gz JWMQOLKDDSLOBX-FMIVXFBMSA-N 0 0 354.432 -0.640 20 10 FBCDRN CC(=O)NC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1 ZINC001318579601 848387274 /nfs/dbraw/zinc/38/72/74/848387274.db2.gz CYBGLIUJGCMYLP-GFCCVEGCSA-N 0 0 371.415 -0.259 20 10 FBCDRN CC(=O)NC[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1 ZINC001318579603 848387119 /nfs/dbraw/zinc/38/71/19/848387119.db2.gz CYBGLIUJGCMYLP-LBPRGKRZSA-N 0 0 371.415 -0.259 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC001319279810 848443290 /nfs/dbraw/zinc/44/32/90/848443290.db2.gz DOTQNXHHUWVUJZ-JTQLQIEISA-N 0 0 368.371 -0.860 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC001319279812 848443709 /nfs/dbraw/zinc/44/37/09/848443709.db2.gz DOTQNXHHUWVUJZ-SNVBAGLBSA-N 0 0 368.371 -0.860 20 10 FBCDRN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCNS(C)(=O)=O)cc2=O ZINC001319329363 848447274 /nfs/dbraw/zinc/44/72/74/848447274.db2.gz YOPKZYPWRMHCPT-UHFFFAOYSA-N 0 0 371.419 -0.407 20 10 FBCDRN NC(=O)N[C@H](CO)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001319631729 848477243 /nfs/dbraw/zinc/47/72/43/848477243.db2.gz RQPIRENPMWQIOK-CYBMUJFWSA-N 0 0 354.382 -0.568 20 10 FBCDRN NC(=O)N[C@@H](CO)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001319631730 848477138 /nfs/dbraw/zinc/47/71/38/848477138.db2.gz RQPIRENPMWQIOK-ZDUSSCGKSA-N 0 0 354.382 -0.568 20 10 FBCDRN COC(=O)C1(O)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC001319973643 848502422 /nfs/dbraw/zinc/50/24/22/848502422.db2.gz SKSLCWFCFAPEOX-UHFFFAOYSA-N 0 0 372.399 -0.096 20 10 FBCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001320031222 848507492 /nfs/dbraw/zinc/50/74/92/848507492.db2.gz OFKNAINDJQTJKM-DTRQGZQOSA-N 0 0 368.411 -0.079 20 10 FBCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001320031224 848507728 /nfs/dbraw/zinc/50/77/28/848507728.db2.gz OFKNAINDJQTJKM-FXMSTWTQSA-N 0 0 368.411 -0.079 20 10 FBCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001320031225 848507568 /nfs/dbraw/zinc/50/75/68/848507568.db2.gz OFKNAINDJQTJKM-KMOQFTEPSA-N 0 0 368.411 -0.079 20 10 FBCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001320031227 848507693 /nfs/dbraw/zinc/50/76/93/848507693.db2.gz OFKNAINDJQTJKM-QQHVMHFCSA-N 0 0 368.411 -0.079 20 10 FBCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C)S(C)(=O)=O ZINC001320147000 848516143 /nfs/dbraw/zinc/51/61/43/848516143.db2.gz FPEVCSSQKCVFIJ-NSHDSACASA-N 0 0 374.415 -0.420 20 10 FBCDRN COC(=O)COc1ccc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001320170000 848517817 /nfs/dbraw/zinc/51/78/17/848517817.db2.gz BJYTXUZUUMNHHY-GFCCVEGCSA-N 0 0 370.427 -0.022 20 10 FBCDRN COC(=O)COc1ccc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC001320170001 848517993 /nfs/dbraw/zinc/51/79/93/848517993.db2.gz BJYTXUZUUMNHHY-LBPRGKRZSA-N 0 0 370.427 -0.022 20 10 FBCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSCC(N)=O ZINC001320271736 848526146 /nfs/dbraw/zinc/52/61/46/848526146.db2.gz DYKILAGGOLURMX-JTQLQIEISA-N 0 0 356.400 -0.093 20 10 FBCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CS(=O)(=O)N(C)C ZINC001320692390 848560559 /nfs/dbraw/zinc/56/05/59/848560559.db2.gz LTCZKPZLJOKYGA-NSHDSACASA-N 0 0 374.415 -0.420 20 10 FBCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001321060688 848592211 /nfs/dbraw/zinc/59/22/11/848592211.db2.gz FYIIEFYVKZMDPS-CJHWANRJSA-N 0 0 355.368 -0.043 20 10 FBCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001321060689 848592507 /nfs/dbraw/zinc/59/25/07/848592507.db2.gz FYIIEFYVKZMDPS-FWEMWIAWSA-N 0 0 355.368 -0.043 20 10 FBCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001321060690 848592765 /nfs/dbraw/zinc/59/27/65/848592765.db2.gz FYIIEFYVKZMDPS-JRBALWBOSA-N 0 0 355.368 -0.043 20 10 FBCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001321060691 848592355 /nfs/dbraw/zinc/59/23/55/848592355.db2.gz FYIIEFYVKZMDPS-MORRKMRCSA-N 0 0 355.368 -0.043 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)cc1 ZINC001321420248 848631088 /nfs/dbraw/zinc/63/10/88/848631088.db2.gz NXNAFPKOYNCJNM-UHFFFAOYSA-N 0 0 368.459 -0.435 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N(C)CCNS(C)(=O)=O)cc1 ZINC001321420812 848630779 /nfs/dbraw/zinc/63/07/79/848630779.db2.gz VXOISMRDRYNGGN-UHFFFAOYSA-N 0 0 356.448 -0.624 20 10 FBCDRN CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001321593043 848650982 /nfs/dbraw/zinc/65/09/82/848650982.db2.gz JQRPIOFMRXGBBH-AWEZNQCLSA-N 0 0 368.459 -0.481 20 10 FBCDRN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001321593044 848650923 /nfs/dbraw/zinc/65/09/23/848650923.db2.gz JQRPIOFMRXGBBH-CQSZACIVSA-N 0 0 368.459 -0.481 20 10 FBCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCCS(=O)(=O)NC)cc1 ZINC001321599223 848652519 /nfs/dbraw/zinc/65/25/19/848652519.db2.gz RVTGDBKTKUONJU-UHFFFAOYSA-N 0 0 370.475 -0.186 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001321633317 848657044 /nfs/dbraw/zinc/65/70/44/848657044.db2.gz BLLGDHSHHCYRBW-UHFFFAOYSA-N 0 0 369.443 -0.109 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC001321656966 848661902 /nfs/dbraw/zinc/66/19/02/848661902.db2.gz JQEHYUJHCBKHDT-CYBMUJFWSA-N 0 0 353.444 -0.080 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001321656967 848661793 /nfs/dbraw/zinc/66/17/93/848661793.db2.gz JQEHYUJHCBKHDT-ZDUSSCGKSA-N 0 0 353.444 -0.080 20 10 FBCDRN CS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001321790728 848679688 /nfs/dbraw/zinc/67/96/88/848679688.db2.gz CAUGJNZGBGMGAR-UHFFFAOYSA-N 0 0 369.443 -0.700 20 10 FBCDRN CN(CCNS(C)(=O)=O)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001321801797 848680749 /nfs/dbraw/zinc/68/07/49/848680749.db2.gz VJLBWGXFABKDEL-UHFFFAOYSA-N 0 0 365.433 -0.615 20 10 FBCDRN CS(=O)(=O)NCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001321822473 848683776 /nfs/dbraw/zinc/68/37/76/848683776.db2.gz SPHPDTALGODAHI-UHFFFAOYSA-N 0 0 368.459 -0.432 20 10 FBCDRN CC(C)NS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001321975653 848706784 /nfs/dbraw/zinc/70/67/84/848706784.db2.gz XATZIIDHLYGKNY-UHFFFAOYSA-N 0 0 357.432 -0.205 20 10 FBCDRN CNS(=O)(=O)N1CCC(C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC001322074231 848718507 /nfs/dbraw/zinc/71/85/07/848718507.db2.gz VQSTYDUUEKRSND-UHFFFAOYSA-N 0 0 357.432 -0.067 20 10 FBCDRN CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001322169973 848727108 /nfs/dbraw/zinc/72/71/08/848727108.db2.gz ADJLPXWCLNFEHE-UHFFFAOYSA-N 0 0 360.411 -0.827 20 10 FBCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)OC)CC2)cc1 ZINC001322180465 848727995 /nfs/dbraw/zinc/72/79/95/848727995.db2.gz WOXDFCODZKLLQX-UHFFFAOYSA-N 0 0 350.419 -0.047 20 10 FBCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCCNS(C)(=O)=O)cc1 ZINC001322183405 848728172 /nfs/dbraw/zinc/72/81/72/848728172.db2.gz LTCHOCKYVZDFRU-UHFFFAOYSA-N 0 0 370.475 -0.186 20 10 FBCDRN O=C(c1cccc(O)c1O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC001322320210 848740807 /nfs/dbraw/zinc/74/08/07/848740807.db2.gz MDNPEYNMJCHSKJ-UHFFFAOYSA-N 0 0 353.360 -0.637 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC001322418297 848746235 /nfs/dbraw/zinc/74/62/35/848746235.db2.gz MIXPMGLCFPVTCW-JTQLQIEISA-N 0 0 354.388 -0.387 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 ZINC001322418301 848746410 /nfs/dbraw/zinc/74/64/10/848746410.db2.gz MIXPMGLCFPVTCW-SNVBAGLBSA-N 0 0 354.388 -0.387 20 10 FBCDRN CN(CCS(C)(=O)=O)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001322425206 848746638 /nfs/dbraw/zinc/74/66/38/848746638.db2.gz UONJPRUMTTXJRJ-UHFFFAOYSA-N 0 0 350.418 -0.120 20 10 FBCDRN CC(C)NS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001322558424 848762154 /nfs/dbraw/zinc/76/21/54/848762154.db2.gz FRUBORWJABNGNM-UHFFFAOYSA-N 0 0 370.475 -0.187 20 10 FBCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCNS(C)(=O)=O ZINC001322597380 848768480 /nfs/dbraw/zinc/76/84/80/848768480.db2.gz STISPOVAUJYZBT-UHFFFAOYSA-N 0 0 357.432 -0.204 20 10 FBCDRN CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC001322718342 848787484 /nfs/dbraw/zinc/78/74/84/848787484.db2.gz IMRQGQFGSDRKEN-UHFFFAOYSA-N 0 0 356.448 -0.657 20 10 FBCDRN O=C(CNC(=O)C(=O)NCCCSc1nccs1)N1CCOCC1 ZINC001322748016 848792286 /nfs/dbraw/zinc/79/22/86/848792286.db2.gz IKNSPDWOAFMCKA-UHFFFAOYSA-N 0 0 372.472 -0.284 20 10 FBCDRN O=C(NCCCSc1nccs1)C(=O)NCCN1C(=O)CNC1=O ZINC001322748804 848792318 /nfs/dbraw/zinc/79/23/18/848792318.db2.gz OKKYRZBNDSBRHT-UHFFFAOYSA-N 0 0 371.444 -0.591 20 10 FBCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCS(=O)(=O)NC ZINC001322933985 848823231 /nfs/dbraw/zinc/82/32/31/848823231.db2.gz FUILALVWMFSMQK-UHFFFAOYSA-N 0 0 357.432 -0.204 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001322943863 848825476 /nfs/dbraw/zinc/82/54/76/848825476.db2.gz XCBWCZFGFSULDD-UHFFFAOYSA-N 0 0 357.432 -0.205 20 10 FBCDRN CCNS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001323191409 848859002 /nfs/dbraw/zinc/85/90/02/848859002.db2.gz DQQULCPGFDTUIR-GFCCVEGCSA-N 0 0 370.475 -0.015 20 10 FBCDRN CCNS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001323191412 848859414 /nfs/dbraw/zinc/85/94/14/848859414.db2.gz DQQULCPGFDTUIR-LBPRGKRZSA-N 0 0 370.475 -0.015 20 10 FBCDRN C[C@@H](NC(=O)C(=O)NCCNS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC001323232888 848865831 /nfs/dbraw/zinc/86/58/31/848865831.db2.gz NXTJWLLDXAPWGW-LLVKDONJSA-N 0 0 356.448 -0.405 20 10 FBCDRN C[C@H](NC(=O)C(=O)NCCNS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC001323232890 848865963 /nfs/dbraw/zinc/86/59/63/848865963.db2.gz NXTJWLLDXAPWGW-NSHDSACASA-N 0 0 356.448 -0.405 20 10 FBCDRN NC(=O)N[C@@H](CO)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001323239998 848866934 /nfs/dbraw/zinc/86/69/34/848866934.db2.gz ZFSYFXGDRNYPIK-HNNXBMFYSA-N 0 0 350.419 -0.459 20 10 FBCDRN NC(=O)N[C@H](CO)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001323239999 848867016 /nfs/dbraw/zinc/86/70/16/848867016.db2.gz ZFSYFXGDRNYPIK-OAHLLOKOSA-N 0 0 350.419 -0.459 20 10 FBCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCNS(C)(=O)=O ZINC001323244447 848868311 /nfs/dbraw/zinc/86/83/11/848868311.db2.gz RQKMKSUZHYQORV-UHFFFAOYSA-N 0 0 356.448 -0.657 20 10 FBCDRN CCNS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001323277902 848872130 /nfs/dbraw/zinc/87/21/30/848872130.db2.gz ACGRZKVJSBWDSK-UHFFFAOYSA-N 0 0 370.475 -0.234 20 10 FBCDRN CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001323300728 848875611 /nfs/dbraw/zinc/87/56/11/848875611.db2.gz UWLJDDZXSCOTCW-UHFFFAOYSA-N 0 0 366.443 -0.656 20 10 FBCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCS(=O)(=O)NC ZINC001323379918 848887813 /nfs/dbraw/zinc/88/78/13/848887813.db2.gz XYDGYDNYSVBBGY-UHFFFAOYSA-N 0 0 370.475 -0.234 20 10 FBCDRN NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NCCCSc2nccs2)O1 ZINC001323483499 848904083 /nfs/dbraw/zinc/90/40/83/848904083.db2.gz YVHISSKJJPTPOA-NXEZZACHSA-N 0 0 372.472 -0.109 20 10 FBCDRN NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NCCCSc2nccs2)O1 ZINC001323483500 848904070 /nfs/dbraw/zinc/90/40/70/848904070.db2.gz YVHISSKJJPTPOA-UWVGGRQHSA-N 0 0 372.472 -0.109 20 10 FBCDRN NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NCCCSc2nccs2)O1 ZINC001323483501 848904187 /nfs/dbraw/zinc/90/41/87/848904187.db2.gz YVHISSKJJPTPOA-VHSXEESVSA-N 0 0 372.472 -0.109 20 10 FBCDRN NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NCCCSc2nccs2)O1 ZINC001323483502 848904038 /nfs/dbraw/zinc/90/40/38/848904038.db2.gz YVHISSKJJPTPOA-ZJUUUORDSA-N 0 0 372.472 -0.109 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001323626640 848928472 /nfs/dbraw/zinc/92/84/72/848928472.db2.gz YZLISGBFTSJREV-UHFFFAOYSA-N 0 0 355.416 -0.642 20 10 FBCDRN CN1CCCc2cc(CNC(=O)C(=O)NCCNS(C)(=O)=O)ccc21 ZINC001323656837 848932533 /nfs/dbraw/zinc/93/25/33/848932533.db2.gz OXLAZXZYGGDHCZ-UHFFFAOYSA-N 0 0 368.459 -0.649 20 10 FBCDRN CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001324123412 848998881 /nfs/dbraw/zinc/99/88/81/848998881.db2.gz QVBFYLQQLFRKPT-UHFFFAOYSA-N 0 0 372.447 -0.701 20 10 FBCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCCNS(C)(=O)=O)cc1 ZINC001324402597 849035991 /nfs/dbraw/zinc/03/59/91/849035991.db2.gz AVQXIFIELFSHEH-UHFFFAOYSA-N 0 0 356.448 -0.624 20 10 FBCDRN CS(=O)(=O)NCCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001324403719 849037015 /nfs/dbraw/zinc/03/70/15/849037015.db2.gz PDRYNISCZSYDNE-UHFFFAOYSA-N 0 0 366.443 -0.656 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 ZINC001324563203 849057464 /nfs/dbraw/zinc/05/74/64/849057464.db2.gz FVKMOCCFTMUZEY-SECBINFHSA-N 0 0 362.429 -0.072 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 ZINC001324563205 849056937 /nfs/dbraw/zinc/05/69/37/849056937.db2.gz FVKMOCCFTMUZEY-VIFPVBQESA-N 0 0 362.429 -0.072 20 10 FBCDRN C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CCN1S(C)(=O)=O ZINC001324835131 849078611 /nfs/dbraw/zinc/07/86/11/849078611.db2.gz ZCBDIVUOHXWEHG-LBPRGKRZSA-N 0 0 369.443 -0.157 20 10 FBCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001325022792 849098271 /nfs/dbraw/zinc/09/82/71/849098271.db2.gz HSDCFWKRINAGMG-NEPJUHHUSA-N 0 0 368.411 -0.250 20 10 FBCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001325022793 849098362 /nfs/dbraw/zinc/09/83/62/849098362.db2.gz HSDCFWKRINAGMG-NWDGAFQWSA-N 0 0 368.411 -0.250 20 10 FBCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001325022794 849098367 /nfs/dbraw/zinc/09/83/67/849098367.db2.gz HSDCFWKRINAGMG-RYUDHWBXSA-N 0 0 368.411 -0.250 20 10 FBCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001325022795 849098351 /nfs/dbraw/zinc/09/83/51/849098351.db2.gz HSDCFWKRINAGMG-VXGBXAGGSA-N 0 0 368.411 -0.250 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001325071991 849104407 /nfs/dbraw/zinc/10/44/07/849104407.db2.gz KXDUOPWTIXQXAT-UHFFFAOYSA-N 0 0 355.416 -0.546 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)cc1 ZINC001325390461 849138743 /nfs/dbraw/zinc/13/87/43/849138743.db2.gz CBYFWCNWQIUCME-UHFFFAOYSA-N 0 0 368.459 -0.624 20 10 FBCDRN C[S@](=O)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001325610383 849161265 /nfs/dbraw/zinc/16/12/65/849161265.db2.gz CEPHZBASAQJZTH-DEOSSOPVSA-N 0 0 353.444 -0.366 20 10 FBCDRN C[S@@](=O)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001325610384 849161385 /nfs/dbraw/zinc/16/13/85/849161385.db2.gz CEPHZBASAQJZTH-XMMPIXPASA-N 0 0 353.444 -0.366 20 10 FBCDRN COc1ccc(N2CCN(C(=O)C(=O)N3CC(CO)C3)CC2)cc1F ZINC001325746451 849176780 /nfs/dbraw/zinc/17/67/80/849176780.db2.gz FBNUAKPNGNWVLZ-UHFFFAOYSA-N 0 0 351.378 -0.066 20 10 FBCDRN CCNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001325971367 849202080 /nfs/dbraw/zinc/20/20/80/849202080.db2.gz JAKGEYLNRQEFHI-UHFFFAOYSA-N 0 0 374.438 -0.437 20 10 FBCDRN CNS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001326574998 849285366 /nfs/dbraw/zinc/28/53/66/849285366.db2.gz YKOWFZHBNADKJR-UHFFFAOYSA-N 0 0 356.448 -0.624 20 10 FBCDRN O=C(NCCCSc1nccs1)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC001326642322 849298525 /nfs/dbraw/zinc/29/85/25/849298525.db2.gz VOARUVRBRPWZMZ-JTQLQIEISA-N 0 0 369.472 -0.023 20 10 FBCDRN O=C(NCCCSc1nccs1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC001326642323 849298620 /nfs/dbraw/zinc/29/86/20/849298620.db2.gz VOARUVRBRPWZMZ-SNVBAGLBSA-N 0 0 369.472 -0.023 20 10 FBCDRN CCS(=O)(=O)NCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC001326794742 849325491 /nfs/dbraw/zinc/32/54/91/849325491.db2.gz YDZGACUNDRQHEA-UHFFFAOYSA-N 0 0 370.475 -0.267 20 10 FBCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CCNS(C)(=O)=O ZINC001326815586 849328079 /nfs/dbraw/zinc/32/80/79/849328079.db2.gz DSUGQCUKLWIRIG-UHFFFAOYSA-N 0 0 370.475 -0.315 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001327033611 849359958 /nfs/dbraw/zinc/35/99/58/849359958.db2.gz NTZQLFHTVAXZNX-GFCCVEGCSA-N 0 0 355.416 -0.499 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001327033613 849359715 /nfs/dbraw/zinc/35/97/15/849359715.db2.gz NTZQLFHTVAXZNX-LBPRGKRZSA-N 0 0 355.416 -0.499 20 10 FBCDRN NC(=O)CNC(=S)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001327268372 849394276 /nfs/dbraw/zinc/39/42/76/849394276.db2.gz RSQPSYSDISEBGM-UHFFFAOYSA-N 0 0 356.473 -0.629 20 10 FBCDRN CCS(=O)(=O)NCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001327320645 849402467 /nfs/dbraw/zinc/40/24/67/849402467.db2.gz WUUJQTSSSGJSFZ-UHFFFAOYSA-N 0 0 356.448 -0.576 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)NCCOCCS(C)(=O)=O)cc1 ZINC001327320957 849402219 /nfs/dbraw/zinc/40/22/19/849402219.db2.gz XXVYEFLHKFUXBK-UHFFFAOYSA-N 0 0 371.459 -0.454 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)N1CC(F)C1 ZINC001327405852 849419950 /nfs/dbraw/zinc/41/99/50/849419950.db2.gz GSLACWLJAQWRSI-UHFFFAOYSA-N 0 0 369.418 -0.282 20 10 FBCDRN CN(CCCNC(=O)C(=O)NCCc1ccc(N)cc1)S(C)(=O)=O ZINC001327486089 849434896 /nfs/dbraw/zinc/43/48/96/849434896.db2.gz LJMRPUBRJOCAKT-UHFFFAOYSA-N 0 0 356.448 -0.675 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O)cc1 ZINC001327780875 849482587 /nfs/dbraw/zinc/48/25/87/849482587.db2.gz YKZQIPJJAARVFO-UHFFFAOYSA-N 0 0 370.475 -0.234 20 10 FBCDRN C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)CCN1S(C)(=O)=O ZINC001327840036 849490568 /nfs/dbraw/zinc/49/05/68/849490568.db2.gz DRHQXTJBBVBIOP-GFCCVEGCSA-N 0 0 368.459 -0.580 20 10 FBCDRN C[S@@](=O)CCNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001327966531 849508334 /nfs/dbraw/zinc/50/83/34/849508334.db2.gz DFNLZBYEBRMXIW-RUZDIDTESA-N 0 0 367.471 -0.241 20 10 FBCDRN C[S@](=O)CCNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001327966532 849508184 /nfs/dbraw/zinc/50/81/84/849508184.db2.gz DFNLZBYEBRMXIW-VWLOTQADSA-N 0 0 367.471 -0.241 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N(C)CCNS(C)(=O)=O)cc1F ZINC001327968000 849509102 /nfs/dbraw/zinc/50/91/02/849509102.db2.gz KBPMFGIHGOPRPZ-UHFFFAOYSA-N 0 0 374.438 -0.485 20 10 FBCDRN Nc1ccc(CC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 ZINC001328205066 849542566 /nfs/dbraw/zinc/54/25/66/849542566.db2.gz KFFIDFCSYMEITQ-CABCVRRESA-N 0 0 353.444 -0.887 20 10 FBCDRN Nc1ccc(CC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 ZINC001328205067 849542889 /nfs/dbraw/zinc/54/28/89/849542889.db2.gz KFFIDFCSYMEITQ-GJZGRUSLSA-N 0 0 353.444 -0.887 20 10 FBCDRN Nc1ccc(CC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 ZINC001328205068 849542646 /nfs/dbraw/zinc/54/26/46/849542646.db2.gz KFFIDFCSYMEITQ-HUUCEWRRSA-N 0 0 353.444 -0.887 20 10 FBCDRN Nc1ccc(CC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 ZINC001328205069 849542883 /nfs/dbraw/zinc/54/28/83/849542883.db2.gz KFFIDFCSYMEITQ-LSDHHAIUSA-N 0 0 353.444 -0.887 20 10 FBCDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001328340180 849565709 /nfs/dbraw/zinc/56/57/09/849565709.db2.gz VCCHPMAIRVDULG-CYBMUJFWSA-N 0 0 369.443 -0.109 20 10 FBCDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001328340183 849565516 /nfs/dbraw/zinc/56/55/16/849565516.db2.gz VCCHPMAIRVDULG-ZDUSSCGKSA-N 0 0 369.443 -0.109 20 10 FBCDRN CS(=O)(=O)CCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001328415315 849577863 /nfs/dbraw/zinc/57/78/63/849577863.db2.gz GHEYNCWRCGNFIZ-UHFFFAOYSA-N 0 0 374.484 -0.028 20 10 FBCDRN COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001328425861 849578736 /nfs/dbraw/zinc/57/87/36/849578736.db2.gz OYVMYSYJTZTVOL-CHWSQXEVSA-N 0 0 350.371 -0.267 20 10 FBCDRN COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001328425863 849578723 /nfs/dbraw/zinc/57/87/23/849578723.db2.gz OYVMYSYJTZTVOL-OLZOCXBDSA-N 0 0 350.371 -0.267 20 10 FBCDRN COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001328425866 849578955 /nfs/dbraw/zinc/57/89/55/849578955.db2.gz OYVMYSYJTZTVOL-QWHCGFSZSA-N 0 0 350.371 -0.267 20 10 FBCDRN COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001328425868 849579100 /nfs/dbraw/zinc/57/91/00/849579100.db2.gz OYVMYSYJTZTVOL-STQMWFEESA-N 0 0 350.371 -0.267 20 10 FBCDRN O=C(C[C@@H]1CC(=O)N1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001328439982 849581832 /nfs/dbraw/zinc/58/18/32/849581832.db2.gz WXDGCKPJOFKAMC-CYBMUJFWSA-N 0 0 351.428 -0.184 20 10 FBCDRN O=C(C[C@H]1CC(=O)N1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001328439983 849581843 /nfs/dbraw/zinc/58/18/43/849581843.db2.gz WXDGCKPJOFKAMC-ZDUSSCGKSA-N 0 0 351.428 -0.184 20 10 FBCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)N1 ZINC001328510013 849591996 /nfs/dbraw/zinc/59/19/96/849591996.db2.gz XMUYZWMXGHMORX-HNNXBMFYSA-N 0 0 353.444 -0.044 20 10 FBCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)N1 ZINC001328510015 849592059 /nfs/dbraw/zinc/59/20/59/849592059.db2.gz XMUYZWMXGHMORX-OAHLLOKOSA-N 0 0 353.444 -0.044 20 10 FBCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCNS(C)(=O)=O ZINC001328649819 849611660 /nfs/dbraw/zinc/61/16/60/849611660.db2.gz MCXCYWHFWISIBW-UHFFFAOYSA-N 0 0 370.475 -0.234 20 10 FBCDRN NS(=O)(=O)CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001328710796 849619981 /nfs/dbraw/zinc/61/99/81/849619981.db2.gz DWTJFBRJKLTUAF-UHFFFAOYSA-N 0 0 356.448 -0.265 20 10 FBCDRN NC(=O)C1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001328757148 849626344 /nfs/dbraw/zinc/62/63/44/849626344.db2.gz PIUKUEYTOXIYDM-UHFFFAOYSA-N 0 0 351.428 -0.197 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCO[C@@H](CC(N)=O)C2)c1 ZINC001329223894 849706903 /nfs/dbraw/zinc/70/69/03/849706903.db2.gz VHZSVBZTGNFSIQ-JTQLQIEISA-N 0 0 357.388 -0.520 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCO[C@H](CC(N)=O)C2)c1 ZINC001329223895 849707209 /nfs/dbraw/zinc/70/72/09/849707209.db2.gz VHZSVBZTGNFSIQ-SNVBAGLBSA-N 0 0 357.388 -0.520 20 10 FBCDRN CCS(=O)(=O)NCCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001329297008 849717128 /nfs/dbraw/zinc/71/71/28/849717128.db2.gz MHKLNGYEVDZKJO-GFCCVEGCSA-N 0 0 370.475 -0.015 20 10 FBCDRN CCS(=O)(=O)NCCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001329297011 849717337 /nfs/dbraw/zinc/71/73/37/849717337.db2.gz MHKLNGYEVDZKJO-LBPRGKRZSA-N 0 0 370.475 -0.015 20 10 FBCDRN C[C@H](NC(N)=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001329352027 849725749 /nfs/dbraw/zinc/72/57/49/849725749.db2.gz NYOYACNHYYFAHC-NSHDSACASA-N 0 0 354.432 -0.406 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCC(=O)N1 ZINC001329380640 849732058 /nfs/dbraw/zinc/73/20/58/849732058.db2.gz WBMRTLFQBHLUSX-AWEZNQCLSA-N 0 0 351.428 -0.184 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCC(=O)N1 ZINC001329403222 849734845 /nfs/dbraw/zinc/73/48/45/849734845.db2.gz WBMRTLFQBHLUSX-CQSZACIVSA-N 0 0 351.428 -0.184 20 10 FBCDRN CON(C)C(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001329607091 849775222 /nfs/dbraw/zinc/77/52/22/849775222.db2.gz BLILKYAMMKJTAA-UHFFFAOYSA-N 0 0 355.416 -0.443 20 10 FBCDRN C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CCN1S(C)(=O)=O ZINC001329633595 849779585 /nfs/dbraw/zinc/77/95/85/849779585.db2.gz ZCBDIVUOHXWEHG-GFCCVEGCSA-N 0 0 369.443 -0.157 20 10 FBCDRN CS(=O)(=O)N1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001329775001 849818211 /nfs/dbraw/zinc/81/82/11/849818211.db2.gz ONQVPLBQQLPXRQ-UHFFFAOYSA-N 0 0 367.427 -0.272 20 10 FBCDRN CCOC(=O)[C@@H](N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001329937379 849858310 /nfs/dbraw/zinc/85/83/10/849858310.db2.gz NBHZRKVQXRVIDL-AWEZNQCLSA-N 0 0 369.443 -0.572 20 10 FBCDRN CCOC(=O)[C@H](N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001329937382 849858477 /nfs/dbraw/zinc/85/84/77/849858477.db2.gz NBHZRKVQXRVIDL-CQSZACIVSA-N 0 0 369.443 -0.572 20 10 FBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CCO)CCOCCO)c1 ZINC001330091070 849885218 /nfs/dbraw/zinc/88/52/18/849885218.db2.gz IAPLHZZTIGNWBH-UHFFFAOYSA-N 0 0 362.404 -0.793 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001330749384 849995779 /nfs/dbraw/zinc/99/57/79/849995779.db2.gz ZMVHKPWJANXUKO-UHFFFAOYSA-N 0 0 357.432 -0.252 20 10 FBCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001330782091 850000679 /nfs/dbraw/zinc/00/06/79/850000679.db2.gz HKULKYGHORVISF-QWRGUYRKSA-N 0 0 351.359 -0.288 20 10 FBCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001330782092 850000459 /nfs/dbraw/zinc/00/04/59/850000459.db2.gz HKULKYGHORVISF-WDEREUQCSA-N 0 0 351.359 -0.288 20 10 FBCDRN CCS(=O)(=O)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001330943666 850019332 /nfs/dbraw/zinc/01/93/32/850019332.db2.gz GKVQWBUTRADTAE-UHFFFAOYSA-N 0 0 374.484 -0.028 20 10 FBCDRN CS(=O)(=O)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001331265433 850060056 /nfs/dbraw/zinc/06/00/56/850060056.db2.gz LIOQHIWRNWTIFU-UHFFFAOYSA-N 0 0 360.457 -0.418 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC001332580168 850241662 /nfs/dbraw/zinc/24/16/62/850241662.db2.gz JZWUTCFAFDUZSP-OKILXGFUSA-N 0 0 365.455 -0.128 20 10 FBCDRN CN(CCC(N)=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001333801822 850416296 /nfs/dbraw/zinc/41/62/96/850416296.db2.gz MMQNKJSOHUDRJC-UHFFFAOYSA-N 0 0 368.459 -0.062 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCC(O)(CO)CC2)cc1F ZINC001334034125 850442330 /nfs/dbraw/zinc/44/23/30/850442330.db2.gz YPIZYDYCYKDGNX-UHFFFAOYSA-N 0 0 353.394 -0.146 20 10 FBCDRN O=C1N[C@H](CO)C(=O)N1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001334371467 850481015 /nfs/dbraw/zinc/48/10/15/850481015.db2.gz VHOVXJLJMHBPKK-CYBMUJFWSA-N 0 0 353.400 -0.666 20 10 FBCDRN O=C1N[C@@H](CO)C(=O)N1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001334371470 850480370 /nfs/dbraw/zinc/48/03/70/850480370.db2.gz VHOVXJLJMHBPKK-ZDUSSCGKSA-N 0 0 353.400 -0.666 20 10 FBCDRN CCS(=O)(=O)N1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)CC1 ZINC001334999086 850562289 /nfs/dbraw/zinc/56/22/89/850562289.db2.gz AQJRKYIJPZYGCQ-UHFFFAOYSA-N 0 0 369.443 -0.156 20 10 FBCDRN COc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CNOC3)CC2)cc1F ZINC001335277421 850613792 /nfs/dbraw/zinc/61/37/92/850613792.db2.gz MIUZEDDXOIZHDT-LLVKDONJSA-N 0 0 352.366 -0.498 20 10 FBCDRN COc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CNOC3)CC2)cc1F ZINC001335829015 850681857 /nfs/dbraw/zinc/68/18/57/850681857.db2.gz MIUZEDDXOIZHDT-NSHDSACASA-N 0 0 352.366 -0.498 20 10 FBCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001336331674 850733814 /nfs/dbraw/zinc/73/38/14/850733814.db2.gz ZRWUBYKPKOVRPY-AWEZNQCLSA-N 0 0 363.439 -0.018 20 10 FBCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001336331675 850733822 /nfs/dbraw/zinc/73/38/22/850733822.db2.gz ZRWUBYKPKOVRPY-CQSZACIVSA-N 0 0 363.439 -0.018 20 10 FBCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001337879954 850845736 /nfs/dbraw/zinc/84/57/36/850845736.db2.gz GLZWORFRBGEHRK-CYBMUJFWSA-N 0 0 353.444 -0.019 20 10 FBCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001337879955 850845716 /nfs/dbraw/zinc/84/57/16/850845716.db2.gz GLZWORFRBGEHRK-ZDUSSCGKSA-N 0 0 353.444 -0.019 20 10 FBCDRN CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3CCS(=O)(=O)C3)ccc21 ZINC001337881717 850846872 /nfs/dbraw/zinc/84/68/72/850846872.db2.gz YKYAIRQKYGDOGL-AWEZNQCLSA-N 0 0 365.455 -0.012 20 10 FBCDRN CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc21 ZINC001337881718 850846510 /nfs/dbraw/zinc/84/65/10/850846510.db2.gz YKYAIRQKYGDOGL-CQSZACIVSA-N 0 0 365.455 -0.012 20 10 FBCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CNCCS1(=O)=O ZINC001340046859 850962543 /nfs/dbraw/zinc/96/25/43/850962543.db2.gz YOOGFZSXEIHVCY-HNNXBMFYSA-N 0 0 371.434 -0.335 20 10 FBCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CNCCS1(=O)=O ZINC001340046863 850962488 /nfs/dbraw/zinc/96/24/88/850962488.db2.gz YOOGFZSXEIHVCY-OAHLLOKOSA-N 0 0 371.434 -0.335 20 10 FBCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CN(C)C(=O)CN3)CC2)cc1F ZINC001340112125 850966540 /nfs/dbraw/zinc/96/65/40/850966540.db2.gz NDPJBLAITZLJJC-AWEZNQCLSA-N 0 0 350.394 -0.087 20 10 FBCDRN COc1ccc(N2CCN(C(=O)[C@H]3CN(C)C(=O)CN3)CC2)cc1F ZINC001340112126 850966517 /nfs/dbraw/zinc/96/65/17/850966517.db2.gz NDPJBLAITZLJJC-CQSZACIVSA-N 0 0 350.394 -0.087 20 10 FBCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CNCCS3(=O)=O)CC2)cc1F ZINC001340241268 850974329 /nfs/dbraw/zinc/97/43/29/850974329.db2.gz ONYJEMXZMYRXMN-HNNXBMFYSA-N 0 0 371.434 -0.131 20 10 FBCDRN COc1ccc(N2CCN(C(=O)[C@H]3CNCCS3(=O)=O)CC2)cc1F ZINC001340241270 850974492 /nfs/dbraw/zinc/97/44/92/850974492.db2.gz ONYJEMXZMYRXMN-OAHLLOKOSA-N 0 0 371.434 -0.131 20 10 FBCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CNCCS1(=O)=O ZINC001340790918 851007465 /nfs/dbraw/zinc/00/74/65/851007465.db2.gz QPJFJAPNCFYMKJ-INIZCTEOSA-N 0 0 367.471 -0.132 20 10 FBCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CNCCS1(=O)=O ZINC001340790920 851007822 /nfs/dbraw/zinc/00/78/22/851007822.db2.gz QPJFJAPNCFYMKJ-MRXNPFEDSA-N 0 0 367.471 -0.132 20 10 FBCDRN CN1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)NCC1=O ZINC001340819950 851009407 /nfs/dbraw/zinc/00/94/07/851009407.db2.gz BEJCARGRNFBBQS-AWEZNQCLSA-N 0 0 350.394 -0.291 20 10 FBCDRN CN1C[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)NCC1=O ZINC001340819951 851009333 /nfs/dbraw/zinc/00/93/33/851009333.db2.gz BEJCARGRNFBBQS-CQSZACIVSA-N 0 0 350.394 -0.291 20 10 FBCDRN CCS(=O)(=O)NCCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001341084999 851037170 /nfs/dbraw/zinc/03/71/70/851037170.db2.gz BWSZYRZOGHDZPS-UHFFFAOYSA-N 0 0 374.438 -0.437 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)NCCNS(C)(=O)=O)cc1F ZINC001341085776 851038002 /nfs/dbraw/zinc/03/80/02/851038002.db2.gz FJOFNHIIRBSODX-UHFFFAOYSA-N 0 0 360.411 -0.827 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)cc1F ZINC001341091258 851038948 /nfs/dbraw/zinc/03/89/48/851038948.db2.gz MIBWOVXBDWYHKK-LLVKDONJSA-N 0 0 351.382 -0.223 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)cc1F ZINC001341091260 851038458 /nfs/dbraw/zinc/03/84/58/851038458.db2.gz MIBWOVXBDWYHKK-NSHDSACASA-N 0 0 351.382 -0.223 20 10 FBCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CNCCS2(=O)=O)cc1 ZINC001341321855 851072296 /nfs/dbraw/zinc/07/22/96/851072296.db2.gz YKBDSTGKRAYBCU-HNNXBMFYSA-N 0 0 355.460 -0.024 20 10 FBCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CNCCS2(=O)=O)cc1 ZINC001341321857 851072542 /nfs/dbraw/zinc/07/25/42/851072542.db2.gz YKBDSTGKRAYBCU-OAHLLOKOSA-N 0 0 355.460 -0.024 20 10 FBCDRN COC(=O)CN(C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001341343558 851075038 /nfs/dbraw/zinc/07/50/38/851075038.db2.gz UCOGPZNWPIVICA-UHFFFAOYSA-N 0 0 359.404 -0.402 20 10 FBCDRN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CNCCS2(=O)=O)N(C)C)cc1 ZINC001341514307 851106981 /nfs/dbraw/zinc/10/69/81/851106981.db2.gz XIKKJKMXTGRKGP-CVEARBPZSA-N 0 0 368.503 -0.142 20 10 FBCDRN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CNCCS2(=O)=O)N(C)C)cc1 ZINC001341514309 851107077 /nfs/dbraw/zinc/10/70/77/851107077.db2.gz XIKKJKMXTGRKGP-HOTGVXAUSA-N 0 0 368.503 -0.142 20 10 FBCDRN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CNCCS2(=O)=O)N(C)C)cc1 ZINC001341514311 851106882 /nfs/dbraw/zinc/10/68/82/851106882.db2.gz XIKKJKMXTGRKGP-HZPDHXFCSA-N 0 0 368.503 -0.142 20 10 FBCDRN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CNCCS2(=O)=O)N(C)C)cc1 ZINC001341514312 851107162 /nfs/dbraw/zinc/10/71/62/851107162.db2.gz XIKKJKMXTGRKGP-JKSUJKDBSA-N 0 0 368.503 -0.142 20 10 FBCDRN CCNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC001341953922 851180894 /nfs/dbraw/zinc/18/08/94/851180894.db2.gz NDQCFQQTINWGDL-UHFFFAOYSA-N 0 0 370.475 -0.267 20 10 FBCDRN CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001342007783 851186893 /nfs/dbraw/zinc/18/68/93/851186893.db2.gz OWJVPHAHIDIBCB-UHFFFAOYSA-N 0 0 368.459 -0.432 20 10 FBCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CNCCS3(=O)=O)C2)cc1 ZINC001342100846 851197250 /nfs/dbraw/zinc/19/72/50/851197250.db2.gz XITRKUNEDUHEMG-DOMZBBRYSA-N 0 0 353.444 -0.223 20 10 FBCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CNCCS3(=O)=O)C2)cc1 ZINC001342100850 851197139 /nfs/dbraw/zinc/19/71/39/851197139.db2.gz XITRKUNEDUHEMG-IUODEOHRSA-N 0 0 353.444 -0.223 20 10 FBCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CNCCS3(=O)=O)C2)cc1 ZINC001342100853 851197514 /nfs/dbraw/zinc/19/75/14/851197514.db2.gz XITRKUNEDUHEMG-SWLSCSKDSA-N 0 0 353.444 -0.223 20 10 FBCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CNCCS3(=O)=O)C2)cc1 ZINC001342100855 851197549 /nfs/dbraw/zinc/19/75/49/851197549.db2.gz XITRKUNEDUHEMG-WFASDCNBSA-N 0 0 353.444 -0.223 20 10 FBCDRN CNC(=O)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1 ZINC001342118813 851200188 /nfs/dbraw/zinc/20/01/88/851200188.db2.gz NUEJVBPCTHPNLW-GFCCVEGCSA-N 0 0 357.388 -0.649 20 10 FBCDRN CNC(=O)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1 ZINC001342118814 851200717 /nfs/dbraw/zinc/20/07/17/851200717.db2.gz NUEJVBPCTHPNLW-LBPRGKRZSA-N 0 0 357.388 -0.649 20 10 FBCDRN C[C@@H](NC(=O)C(=O)N(C)CCNS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC001342711451 851253261 /nfs/dbraw/zinc/25/32/61/851253261.db2.gz CHDXEFWNDHLYFR-GFCCVEGCSA-N 0 0 370.475 -0.063 20 10 FBCDRN C[C@H](NC(=O)C(=O)N(C)CCNS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC001342711457 851253396 /nfs/dbraw/zinc/25/33/96/851253396.db2.gz CHDXEFWNDHLYFR-LBPRGKRZSA-N 0 0 370.475 -0.063 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC001343220047 851329261 /nfs/dbraw/zinc/32/92/61/851329261.db2.gz ACSQYJUSGHJANC-GFCCVEGCSA-N 0 0 369.443 -0.252 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001343220048 851329121 /nfs/dbraw/zinc/32/91/21/851329121.db2.gz ACSQYJUSGHJANC-LBPRGKRZSA-N 0 0 369.443 -0.252 20 10 FBCDRN O=C(C[C@H]1CNCCS1(=O)=O)NCc1ccc(N2CCOCC2)cc1 ZINC001343391019 851363910 /nfs/dbraw/zinc/36/39/10/851363910.db2.gz CGWQAVNWBOFUCD-INIZCTEOSA-N 0 0 367.471 -0.084 20 10 FBCDRN O=C(C[C@@H]1CNCCS1(=O)=O)NCc1ccc(N2CCOCC2)cc1 ZINC001343391020 851364375 /nfs/dbraw/zinc/36/43/75/851364375.db2.gz CGWQAVNWBOFUCD-MRXNPFEDSA-N 0 0 367.471 -0.084 20 10 FBCDRN CCNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001344851444 851530508 /nfs/dbraw/zinc/53/05/08/851530508.db2.gz GTVKVLMVJXILBR-UHFFFAOYSA-N 0 0 356.448 -0.576 20 10 FBCDRN CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)cc1 ZINC001344852756 851532077 /nfs/dbraw/zinc/53/20/77/851532077.db2.gz UXVGLGSBRHBEBN-UHFFFAOYSA-N 0 0 370.475 -0.187 20 10 FBCDRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001344924808 851539481 /nfs/dbraw/zinc/53/94/81/851539481.db2.gz JEIRLJMLGKNLFZ-CYBMUJFWSA-N 0 0 369.443 -0.109 20 10 FBCDRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001344924809 851539358 /nfs/dbraw/zinc/53/93/58/851539358.db2.gz JEIRLJMLGKNLFZ-ZDUSSCGKSA-N 0 0 369.443 -0.109 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001345453415 851594173 /nfs/dbraw/zinc/59/41/73/851594173.db2.gz TYVHZSKVKLSOJY-CYBMUJFWSA-N 0 0 369.443 -0.109 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001345453416 851593968 /nfs/dbraw/zinc/59/39/68/851593968.db2.gz TYVHZSKVKLSOJY-ZDUSSCGKSA-N 0 0 369.443 -0.109 20 10 FBCDRN CCS(=O)(=O)N1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001345618107 851612401 /nfs/dbraw/zinc/61/24/01/851612401.db2.gz HCMBKOBWXZGGJB-UHFFFAOYSA-N 0 0 367.427 -0.272 20 10 FBCDRN CNS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001346254372 851674957 /nfs/dbraw/zinc/67/49/57/851674957.db2.gz NGQFMBCHNVLHKP-LLVKDONJSA-N 0 0 356.448 -0.405 20 10 FBCDRN CNS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001346254373 851675838 /nfs/dbraw/zinc/67/58/38/851675838.db2.gz NGQFMBCHNVLHKP-NSHDSACASA-N 0 0 356.448 -0.405 20 10 FBCDRN CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC001346283065 851679113 /nfs/dbraw/zinc/67/91/13/851679113.db2.gz REONBNDNEXDAQT-CYBMUJFWSA-N 0 0 354.432 -0.922 20 10 FBCDRN CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC001346283068 851679068 /nfs/dbraw/zinc/67/90/68/851679068.db2.gz REONBNDNEXDAQT-ZDUSSCGKSA-N 0 0 354.432 -0.922 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1CNOC1 ZINC001346502075 851701750 /nfs/dbraw/zinc/70/17/50/851701750.db2.gz UUVVPWRLBDDZGK-CYBMUJFWSA-N 0 0 354.432 -0.376 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)N1CCC1 ZINC001346882160 851732874 /nfs/dbraw/zinc/73/28/74/851732874.db2.gz QRQOPDHNRAQCCM-UHFFFAOYSA-N 0 0 351.428 -0.230 20 10 FBCDRN CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC001347121047 851758899 /nfs/dbraw/zinc/75/88/99/851758899.db2.gz BHEUAVAPJDINHX-CYBMUJFWSA-N 0 0 369.443 -0.109 20 10 FBCDRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001347665611 851814034 /nfs/dbraw/zinc/81/40/34/851814034.db2.gz VSWOHVBVDFYNLG-AAEUAGOBSA-N 0 0 356.400 -0.721 20 10 FBCDRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001347665612 851814033 /nfs/dbraw/zinc/81/40/33/851814033.db2.gz VSWOHVBVDFYNLG-DGCLKSJQSA-N 0 0 356.400 -0.721 20 10 FBCDRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001347665614 851814157 /nfs/dbraw/zinc/81/41/57/851814157.db2.gz VSWOHVBVDFYNLG-WCQYABFASA-N 0 0 356.400 -0.721 20 10 FBCDRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001347665616 851814131 /nfs/dbraw/zinc/81/41/31/851814131.db2.gz VSWOHVBVDFYNLG-YPMHNXCESA-N 0 0 356.400 -0.721 20 10 FBCDRN C[C@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)S(C)(=O)=O ZINC001347856205 851828776 /nfs/dbraw/zinc/82/87/76/851828776.db2.gz CJWQSKXYVSMUQA-GFCCVEGCSA-N 0 0 374.484 -0.029 20 10 FBCDRN C[C@@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)S(C)(=O)=O ZINC001347856207 851828809 /nfs/dbraw/zinc/82/88/09/851828809.db2.gz CJWQSKXYVSMUQA-LBPRGKRZSA-N 0 0 374.484 -0.029 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCNC1=O ZINC001347988378 851836410 /nfs/dbraw/zinc/83/64/10/851836410.db2.gz HLFOJTPYCRSCFQ-AWEZNQCLSA-N 0 0 351.428 -0.326 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCNC1=O ZINC001347988379 851836223 /nfs/dbraw/zinc/83/62/23/851836223.db2.gz HLFOJTPYCRSCFQ-CQSZACIVSA-N 0 0 351.428 -0.326 20 10 FBCDRN NC(=O)NCCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001351088886 852032828 /nfs/dbraw/zinc/03/28/28/852032828.db2.gz ZBZZJLLQSGWIHK-UHFFFAOYSA-N 0 0 354.432 -0.404 20 10 FBCDRN C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCN1S(C)(=O)=O ZINC001351918574 852084420 /nfs/dbraw/zinc/08/44/20/852084420.db2.gz FTZOQHXAQGFSPN-NSHDSACASA-N 0 0 367.427 -0.273 20 10 FBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1CNOC1 ZINC001353438912 852186070 /nfs/dbraw/zinc/18/60/70/852186070.db2.gz UUVVPWRLBDDZGK-ZDUSSCGKSA-N 0 0 354.432 -0.376 20 10 FBCDRN COc1cc(C(=O)N[C@@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc(OC)n1 ZINC001354744572 852239205 /nfs/dbraw/zinc/23/92/05/852239205.db2.gz TYQTUEPYYDGSGL-GDPRMGEGSA-N 0 0 350.375 -0.545 20 10 FBCDRN COc1cc(C(=O)N[C@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc(OC)n1 ZINC001354744574 852239764 /nfs/dbraw/zinc/23/97/64/852239764.db2.gz TYQTUEPYYDGSGL-IEBDPFPHSA-N 0 0 350.375 -0.545 20 10 FBCDRN O=C(C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)N1Cc2cccc(O)c2C1 ZINC001356399849 852305562 /nfs/dbraw/zinc/30/55/62/852305562.db2.gz YROQTZJZMNFELD-TXEJJXNPSA-N 0 0 350.396 -0.263 20 10 FBCDRN