smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1)c1ccc(F)cc1 ZINC000001328996 194088821 /nfs/dbraw/zinc/08/88/21/194088821.db2.gz PYBLPCVAUXTKOK-UHFFFAOYSA-N -1 1 469.519 4.652 40 0 JJABMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000020767274 195222762 /nfs/dbraw/zinc/22/27/62/195222762.db2.gz ZNMSSVHKJSPBNU-UHFFFAOYSA-N -1 1 483.977 4.692 40 0 JJABMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 ZINC000020767219 195222905 /nfs/dbraw/zinc/22/29/05/195222905.db2.gz ALLACOYRHHHPNV-UHFFFAOYSA-N -1 1 456.951 4.742 40 0 JJABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc2c(c1)OCO2 ZINC000012416826 520897060 /nfs/dbraw/zinc/89/70/60/520897060.db2.gz NUCQLNBXDZQCDU-IQCGEYIDSA-N -1 1 480.524 4.577 40 0 JJABMM CCOc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000044904662 520997966 /nfs/dbraw/zinc/99/79/66/520997966.db2.gz MRSRQKVZUIPGJF-UHFFFAOYSA-N -1 1 458.967 4.778 40 0 JJABMM CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000022512390 521356379 /nfs/dbraw/zinc/35/63/79/521356379.db2.gz QTPLFZMHXPTUPZ-UHFFFAOYSA-N -1 1 452.576 4.741 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000020457927 521514627 /nfs/dbraw/zinc/51/46/27/521514627.db2.gz RTKYCPRTGJGACM-UHFFFAOYSA-N -1 1 458.923 4.570 40 0 JJABMM CCOC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000044845560 521556099 /nfs/dbraw/zinc/55/60/99/521556099.db2.gz MXEDWLNMKJMADW-UHFFFAOYSA-N -1 1 458.923 4.570 40 0 JJABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc(OC)cc1 ZINC000020495410 522782573 /nfs/dbraw/zinc/78/25/73/522782573.db2.gz QHQNZWJBAFXUKQ-HSZRJFAPSA-N -1 1 452.576 4.994 40 0 JJABMM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000020456940 522886024 /nfs/dbraw/zinc/88/60/24/522886024.db2.gz DMDNGYFYFCKECO-QFIPXVFZSA-N -1 1 474.966 4.946 40 0 JJABMM COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1OC ZINC000020457637 523999565 /nfs/dbraw/zinc/99/95/65/523999565.db2.gz UZZHMCGTDNWXFG-UHFFFAOYSA-N -1 1 488.993 4.739 40 0 JJABMM COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1OC ZINC000020450343 525141874 /nfs/dbraw/zinc/14/18/74/525141874.db2.gz MPHYJXTVKUQSCS-LJQANCHMSA-N -1 1 482.602 4.921 40 0 JJABMM COc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1OC ZINC000044848438 525143796 /nfs/dbraw/zinc/14/37/96/525143796.db2.gz YYYCLADBVOYGAC-GOSISDBHSA-N -1 1 468.575 4.612 40 0 JJABMM COc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020480989 525315455 /nfs/dbraw/zinc/31/54/55/525315455.db2.gz ALKVUKQEQOXDAE-INIZCTEOSA-N -1 1 458.967 4.949 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)NC(C)C)c2)cc1 ZINC000020490466 525607038 /nfs/dbraw/zinc/60/70/38/525607038.db2.gz DRARFMIKSVANKJ-UHFFFAOYSA-N -1 1 485.993 4.840 40 0 JJABMM O=C(NCCSCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020489623 526371850 /nfs/dbraw/zinc/37/18/50/526371850.db2.gz GJMGCYWWBCHLPX-UHFFFAOYSA-N -1 1 461.008 4.804 40 0 JJABMM Cc1nccn1-c1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020456731 527374532 /nfs/dbraw/zinc/37/45/32/527374532.db2.gz CFZLNGMVDCFTJT-UHFFFAOYSA-N -1 1 495.004 4.873 40 0 JJABMM COc1ccc(C(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)o2)cc1 ZINC000000897101 553832753 /nfs/dbraw/zinc/83/27/53/553832753.db2.gz KOPBMIASDIFFML-UHFFFAOYSA-N -1 1 495.582 4.829 40 0 JJABMM CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000003217015 554431901 /nfs/dbraw/zinc/43/19/01/554431901.db2.gz WWJXHHPXKWTGFT-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cc1 ZINC000008810102 554689463 /nfs/dbraw/zinc/68/94/63/554689463.db2.gz HGTWRLNRGVGWFG-UHFFFAOYSA-N -1 1 476.913 4.709 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1C ZINC000013613272 555535297 /nfs/dbraw/zinc/53/52/97/555535297.db2.gz QKJRIKDRHPWSLU-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1 ZINC000013613753 555535640 /nfs/dbraw/zinc/53/56/40/555535640.db2.gz GKICPIJZVYUAEP-UHFFFAOYSA-N -1 1 466.559 4.842 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000013649375 555553589 /nfs/dbraw/zinc/55/35/89/555553589.db2.gz KIKNOAXWIFSMKV-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)N[C@@H]1CCCc2ccccc21 ZINC000020023096 555600882 /nfs/dbraw/zinc/60/08/82/555600882.db2.gz ZYCNHXMVMLFNAW-JOCHJYFZSA-N -1 1 470.978 4.713 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSCc3ccco3)c2)cc1 ZINC000020040901 555613683 /nfs/dbraw/zinc/61/36/83/555613683.db2.gz HWTDRLSUHKMUHH-UHFFFAOYSA-N -1 1 464.996 4.705 40 0 JJABMM CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000010110996 555621478 /nfs/dbraw/zinc/62/14/78/555621478.db2.gz MYQROJTXJZUUKE-UHFFFAOYSA-N -1 1 466.603 4.866 40 0 JJABMM CCOc1ccccc1CCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010111041 555621941 /nfs/dbraw/zinc/62/19/41/555621941.db2.gz LKOCZPHVTAWCDP-UHFFFAOYSA-N -1 1 466.603 4.866 40 0 JJABMM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1OC ZINC000020061001 555623642 /nfs/dbraw/zinc/62/36/42/555623642.db2.gz RRBOIBTUCXBRAV-UHFFFAOYSA-N -1 1 494.491 4.705 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1C ZINC000010112305 555625341 /nfs/dbraw/zinc/62/53/41/555625341.db2.gz RPXCKTLOKVZRFW-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1C ZINC000010112284 555625387 /nfs/dbraw/zinc/62/53/87/555625387.db2.gz XFPOCEHJSGCPDK-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000010112414 555625727 /nfs/dbraw/zinc/62/57/27/555625727.db2.gz OVUZCHLPSVREGJ-UHFFFAOYSA-N -1 1 452.576 4.741 40 0 JJABMM CC[C@@H](NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1)c1ccc(OC)cc1 ZINC000020106142 555639588 /nfs/dbraw/zinc/63/95/88/555639588.db2.gz POAFBUCALMZGIS-HSZRJFAPSA-N -1 1 452.576 4.994 40 0 JJABMM CC[C@H](NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1)c1ccc(OC)cc1 ZINC000020106144 555639662 /nfs/dbraw/zinc/63/96/62/555639662.db2.gz POAFBUCALMZGIS-QHCPKHFHSA-N -1 1 452.576 4.994 40 0 JJABMM COc1cccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000020106774 555640278 /nfs/dbraw/zinc/64/02/78/555640278.db2.gz CEIBOXRHNVQIHX-UHFFFAOYSA-N -1 1 458.967 4.512 40 0 JJABMM COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1OC ZINC000020108202 555642801 /nfs/dbraw/zinc/64/28/01/555642801.db2.gz VSGSQULGGMAAAA-LJQANCHMSA-N -1 1 482.602 4.921 40 0 JJABMM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000020108525 555643363 /nfs/dbraw/zinc/64/33/63/555643363.db2.gz GPCYNSLUVUNVQI-OAHLLOKOSA-N -1 1 460.939 4.555 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2C)cc1 ZINC000010314415 555679797 /nfs/dbraw/zinc/67/97/97/555679797.db2.gz XJTZDFUMUJGMEE-UHFFFAOYSA-N -1 1 479.602 4.885 40 0 JJABMM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010314502 555680213 /nfs/dbraw/zinc/68/02/13/555680213.db2.gz KAICJSJSLIIZMJ-SFHVURJKSA-N -1 1 479.602 4.885 40 0 JJABMM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010315025 555681322 /nfs/dbraw/zinc/68/13/22/555681322.db2.gz JSDYOZOAENOZHI-GOSISDBHSA-N -1 1 465.575 4.576 40 0 JJABMM Cc1ccc(SCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000010315120 555681572 /nfs/dbraw/zinc/68/15/72/555681572.db2.gz KLEFHCZWDWKSHY-UHFFFAOYSA-N -1 1 454.617 4.935 40 0 JJABMM O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010328101 555686247 /nfs/dbraw/zinc/68/62/47/555686247.db2.gz NAMHKJKSABLGCY-UHFFFAOYSA-N -1 1 499.592 4.712 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)c2C)cc1 ZINC000010371418 555699655 /nfs/dbraw/zinc/69/96/55/555699655.db2.gz LKAQCZGKKCTBMP-UHFFFAOYSA-N -1 1 479.602 4.885 40 0 JJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000014155080 555712765 /nfs/dbraw/zinc/71/27/65/555712765.db2.gz ZMPMXJXFRZTKTE-UHFFFAOYSA-N -1 1 462.618 4.627 40 0 JJABMM CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000014155298 555713405 /nfs/dbraw/zinc/71/34/05/555713405.db2.gz YXKGLFWEKHZJDM-UHFFFAOYSA-N -1 1 479.602 4.886 40 0 JJABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2OC)cc(Br)c1OCC ZINC000022111135 555878683 /nfs/dbraw/zinc/87/86/83/555878683.db2.gz BQBWDXOQGGNNIC-UHFFFAOYSA-N -1 1 479.400 4.920 40 0 JJABMM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000030758888 556374162 /nfs/dbraw/zinc/37/41/62/556374162.db2.gz OBIIGRWSWNCEDM-UHFFFAOYSA-N -1 1 472.950 4.797 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccccc3-n3ccnc3)c2)cc1 ZINC000030849130 556376738 /nfs/dbraw/zinc/37/67/38/556376738.db2.gz RZCSPOFTFWVLBG-UHFFFAOYSA-N -1 1 480.977 4.565 40 0 JJABMM COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CC(C)(C)CC(=O)[O-])C=C3C)[nH]c2c1 ZINC000072321018 560077761 /nfs/dbraw/zinc/07/77/61/560077761.db2.gz GDSLVWFHWCQNHR-ZJOUEHCJSA-N -1 1 469.626 4.976 40 0 biogenic,in-vitro JJABMM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1OC ZINC000033737045 569632905 /nfs/dbraw/zinc/63/29/05/569632905.db2.gz LMQIYHAMOCVPFF-UHFFFAOYSA-N -1 1 454.548 4.682 40 0 JJABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(O)cc1 ZINC000100365883 569758050 /nfs/dbraw/zinc/75/80/50/569758050.db2.gz FEDLSHBWLAKPSA-ZEQRLZLVSA-N -1 1 452.514 4.554 40 0 JJABMM O=c1c2c(nc3cc([C@@H]4CCC[NH+](Cc5ccc(F)cc5)C4)[n-]n31)CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000100493036 569762288 /nfs/dbraw/zinc/76/22/88/569762288.db2.gz MKFMRDOLZREZKX-OAQYLSRUSA-N -1 1 489.570 4.651 40 0 JJABMM C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+]([C@H](C(=O)[O-])c1cn(CC(=O)[O-])c3cc(Br)ccc13)C2 ZINC000036370034 569773338 /nfs/dbraw/zinc/77/33/38/569773338.db2.gz NEPXIQVITSBKRX-YFYZNPQRSA-N -1 1 463.372 4.515 40 0 JJABMM O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101101480 569782881 /nfs/dbraw/zinc/78/28/81/569782881.db2.gz OVQNCXQGSUJJPI-PVHODMMVSA-N -1 1 490.515 4.957 40 0 JJABMM COc1ccccc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000101699056 569803011 /nfs/dbraw/zinc/80/30/11/569803011.db2.gz BFJPOPCBDWTLNQ-DQEYMECFSA-N -1 1 466.541 4.857 40 0 JJABMM COc1ccccc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000101699063 569803067 /nfs/dbraw/zinc/80/30/67/569803067.db2.gz BFJPOPCBDWTLNQ-JWQCQUIFSA-N -1 1 466.541 4.857 40 0 JJABMM CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102762342 569822260 /nfs/dbraw/zinc/82/22/60/569822260.db2.gz GSABNNPPGFSLPR-DSNGMDLFSA-N -1 1 458.514 4.535 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000107939635 569858041 /nfs/dbraw/zinc/85/80/41/569858041.db2.gz ZIRBRZYCEJDFCH-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM O=C1N[C@@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169703984 569871534 /nfs/dbraw/zinc/87/15/34/569871534.db2.gz IOACSLMWJMVTPK-WFXMLNOXSA-N -1 1 464.827 4.704 40 0 JJABMM COc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1OC ZINC000216324542 569878329 /nfs/dbraw/zinc/87/83/29/569878329.db2.gz OHOIQQFCNSSXHK-OAHLLOKOSA-N -1 1 474.966 4.649 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1Cl ZINC000216347791 569878414 /nfs/dbraw/zinc/87/84/14/569878414.db2.gz KZUHBAYDZUTAHE-UHFFFAOYSA-N -1 1 472.950 4.878 40 0 JJABMM CCCCNC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000216494614 569879116 /nfs/dbraw/zinc/87/91/16/569879116.db2.gz JDPSUSODBQAPGK-UHFFFAOYSA-N -1 1 485.993 4.923 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSC3CCCC3)c2)cc1 ZINC000222589170 569886417 /nfs/dbraw/zinc/88/64/17/569886417.db2.gz CVLWPTLOMUKLAK-UHFFFAOYSA-N -1 1 453.029 4.855 40 0 JJABMM COC(=O)c1cn(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c2ccccc12 ZINC000222594309 569886547 /nfs/dbraw/zinc/88/65/47/569886547.db2.gz KNYYXVKTHQPHCL-UHFFFAOYSA-N -1 1 476.554 4.842 40 0 JJABMM COC(=O)c1cn(C(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c2ccccc12 ZINC000222618539 569887063 /nfs/dbraw/zinc/88/70/63/569887063.db2.gz SIJDPTWCYCJOFX-UHFFFAOYSA-N -1 1 468.918 4.571 40 0 JJABMM COC(=O)c1cn(C(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c2ccccc12 ZINC000222618622 569887075 /nfs/dbraw/zinc/88/70/75/569887075.db2.gz XUAUPGYIVNLHHY-UHFFFAOYSA-N -1 1 482.945 4.879 40 0 JJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)ccc2C)c1C ZINC000222681607 569888417 /nfs/dbraw/zinc/88/84/17/569888417.db2.gz ODOKOWJIZSIMBN-LJQANCHMSA-N -1 1 480.586 4.675 40 0 JJABMM 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CIJONMBYQOQXRX-UHFFFAOYSA-N -1 1 491.613 4.901 40 0 JJABMM Cc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000408548741 570194304 /nfs/dbraw/zinc/19/43/04/570194304.db2.gz UHTDPOKUOJMUQG-UHFFFAOYSA-N -1 1 454.617 4.767 40 0 JJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccccc1 ZINC000408555121 570196755 /nfs/dbraw/zinc/19/67/55/570196755.db2.gz DQXYVDMVFREETK-UHFFFAOYSA-N -1 1 450.438 4.767 40 0 JJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1cccc(F)c1 ZINC000408555366 570196848 /nfs/dbraw/zinc/19/68/48/570196848.db2.gz APDCZACDTWJPOU-UHFFFAOYSA-N -1 1 469.321 4.951 40 0 JJABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccccc1F ZINC000408557456 570198138 /nfs/dbraw/zinc/19/81/38/570198138.db2.gz MWIOBYGLDNNBID-UHFFFAOYSA-N -1 1 468.428 4.906 40 0 JJABMM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408574847 570205518 /nfs/dbraw/zinc/20/55/18/570205518.db2.gz FANAQZUPLAMGAI-UHFFFAOYSA-N -1 1 462.527 4.910 40 0 JJABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000408583524 570207285 /nfs/dbraw/zinc/20/72/85/570207285.db2.gz HWFDXUMTVJJUEK-UHFFFAOYSA-N -1 1 472.607 4.815 40 0 JJABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408585886 570208006 /nfs/dbraw/zinc/20/80/06/570208006.db2.gz KLSKFLLPYJFQHC-UHFFFAOYSA-N -1 1 487.965 4.750 40 0 JJABMM O=C1N[C@@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004163811 194382048 /nfs/dbraw/zinc/38/20/48/194382048.db2.gz IOACSLMWJMVTPK-BBTUJRGHSA-N -1 1 464.827 4.704 40 0 JJABMM CC(C)Oc1cccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000020456935 519783200 /nfs/dbraw/zinc/78/32/00/519783200.db2.gz FIEVDLUUVIBHHS-UHFFFAOYSA-N -1 1 458.967 4.858 40 0 JJABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000020455977 521222589 /nfs/dbraw/zinc/22/25/89/521222589.db2.gz JRVBXCYZDHDLTC-LJQANCHMSA-N -1 1 452.576 4.994 40 0 JJABMM COc1cc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)ccc1OC(C)C ZINC000020481001 522434052 /nfs/dbraw/zinc/43/40/52/522434052.db2.gz JGSHCRTWKHQMCK-UHFFFAOYSA-N -1 1 488.993 4.867 40 0 JJABMM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000044848740 523909639 /nfs/dbraw/zinc/90/96/39/523909639.db2.gz UDWLAONSOWDKMO-UHFFFAOYSA-N -1 1 464.465 4.696 40 0 JJABMM COc1ccc(CCCNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000044850552 523937458 /nfs/dbraw/zinc/93/74/58/523937458.db2.gz QFYCMAKKKUBPKI-UHFFFAOYSA-N -1 1 458.967 4.512 40 0 JJABMM COc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000044903600 523937668 /nfs/dbraw/zinc/93/76/68/523937668.db2.gz JLOLMFLLMJRXMX-UHFFFAOYSA-N -1 1 458.967 4.512 40 0 JJABMM COc1ccc(CN(C)C(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1OC ZINC000020489654 523999150 /nfs/dbraw/zinc/99/91/50/523999150.db2.gz GJEJHZZXQHFXDW-UHFFFAOYSA-N -1 1 488.993 4.739 40 0 JJABMM COc1ccccc1CCCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020454434 524402896 /nfs/dbraw/zinc/40/28/96/524402896.db2.gz KYXAUABDDDQDMI-UHFFFAOYSA-N -1 1 458.967 4.512 40 0 JJABMM COc1ccccc1CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000044904044 524432353 /nfs/dbraw/zinc/43/23/53/524432353.db2.gz QNNDJXAENCXHGD-UHFFFAOYSA-N -1 1 458.967 4.730 40 0 JJABMM Cc1cccc(N2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)CC2)c1C ZINC000044904382 524550699 /nfs/dbraw/zinc/55/06/99/524550699.db2.gz CMPTZVJXAXEOMH-UHFFFAOYSA-N -1 1 484.021 4.720 40 0 JJABMM COc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c(OC)c1 ZINC000020491847 524627463 /nfs/dbraw/zinc/62/74/63/524627463.db2.gz SCIQTHJFNNUNDE-UHFFFAOYSA-N -1 1 460.939 4.719 40 0 JJABMM COc1ccc([C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1OC ZINC000020453088 525314764 /nfs/dbraw/zinc/31/47/64/525314764.db2.gz BNBBQTGGIWLOMJ-SFHVURJKSA-N -1 1 468.575 4.612 40 0 JJABMM COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000022521662 525314881 /nfs/dbraw/zinc/31/48/81/525314881.db2.gz JWWNJYKTRVYGBX-IBGZPJMESA-N -1 1 452.576 4.912 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)c4cccs4)o3)cc2)cc1 ZINC000006088925 525595261 /nfs/dbraw/zinc/59/52/61/525595261.db2.gz DXSDPUHWWJPADM-UHFFFAOYSA-N -1 1 471.585 4.882 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2)cc1 ZINC000013678087 525612158 /nfs/dbraw/zinc/61/21/58/525612158.db2.gz GGGLJXKLFYWCDO-UHFFFAOYSA-N -1 1 484.021 4.720 40 0 JJABMM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1 ZINC000044846849 526237842 /nfs/dbraw/zinc/23/78/42/526237842.db2.gz BHKFSQNQYQUIFI-HNNXBMFYSA-N -1 1 460.939 4.555 40 0 JJABMM O=C1N[C@@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000026770577 526796524 /nfs/dbraw/zinc/79/65/24/526796524.db2.gz IOACSLMWJMVTPK-LQWHRVPQSA-N -1 1 464.827 4.704 40 0 JJABMM Cc1nccn1-c1ccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000044900635 527371463 /nfs/dbraw/zinc/37/14/63/527371463.db2.gz QQYWOWLTWLJUHM-UHFFFAOYSA-N -1 1 480.977 4.565 40 0 JJABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1 ZINC000008810420 554690145 /nfs/dbraw/zinc/69/01/45/554690145.db2.gz XUQOPNZPCBNWKZ-UHFFFAOYSA-N -1 1 476.913 4.709 40 0 JJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1F)c1ccc(F)cc1 ZINC000008810837 554691551 /nfs/dbraw/zinc/69/15/51/554691551.db2.gz ALRJYAORPUWRDH-UHFFFAOYSA-N -1 1 467.291 4.780 40 0 JJABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)C(=C([O-])c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915378 554808873 /nfs/dbraw/zinc/80/88/73/554808873.db2.gz BYUUQPHVFHKFIX-WFXMLNOXSA-N -1 1 482.817 4.843 40 0 JJABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(O)cc1 ZINC000013404296 555396713 /nfs/dbraw/zinc/39/67/13/555396713.db2.gz FEDLSHBWLAKPSA-DNQXCXABSA-N -1 1 452.514 4.554 40 0 JJABMM O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000013552835 555492982 /nfs/dbraw/zinc/49/29/82/555492982.db2.gz OHNOHZYIEIIUNQ-KEYYUXOJSA-N -1 1 467.658 4.751 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c(C)c1 ZINC000013668645 555557764 /nfs/dbraw/zinc/55/77/64/555557764.db2.gz BMSGGXRRTIOMDF-UHFFFAOYSA-N -1 1 466.559 4.842 40 0 JJABMM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000013671910 555563566 /nfs/dbraw/zinc/56/35/66/555563566.db2.gz TUJUXPSTTFVBOO-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2C)cc1 ZINC000013678618 555570028 /nfs/dbraw/zinc/57/00/28/555570028.db2.gz XOUZAGBBSNRMKZ-UHFFFAOYSA-N -1 1 484.021 4.720 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2C)cc1 ZINC000013681436 555574245 /nfs/dbraw/zinc/57/42/45/555574245.db2.gz YAKQECIZHAGMDI-UHFFFAOYSA-N -1 1 491.613 4.983 40 0 JJABMM COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000020024271 555602386 /nfs/dbraw/zinc/60/23/86/555602386.db2.gz URTDBXFUECDTET-LJQANCHMSA-N -1 1 452.576 4.614 40 0 JJABMM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020035378 555609952 /nfs/dbraw/zinc/60/99/52/555609952.db2.gz MZWFOILDAMYQGR-MRXNPFEDSA-N -1 1 485.993 4.921 40 0 JJABMM COc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1OC ZINC000020040687 555613568 /nfs/dbraw/zinc/61/35/68/555613568.db2.gz HWYHLCPMFQJCPI-UHFFFAOYSA-N -1 1 482.602 4.702 40 0 JJABMM CCOC(=O)c1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1Cl ZINC000020047518 555617904 /nfs/dbraw/zinc/61/79/04/555617904.db2.gz YPEDRGBPNSUXHP-UHFFFAOYSA-N -1 1 458.923 4.570 40 0 JJABMM Cc1cc(C(=O)NCCSCc2ccccc2F)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010112071 555624569 /nfs/dbraw/zinc/62/45/69/555624569.db2.gz RMMDIDARLHYMPK-UHFFFAOYSA-N -1 1 458.580 4.598 40 0 JJABMM CC(C)Oc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000010112606 555625653 /nfs/dbraw/zinc/62/56/53/555625653.db2.gz JICSHSRXXBLOPV-UHFFFAOYSA-N -1 1 452.576 4.637 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000020104588 555637073 /nfs/dbraw/zinc/63/70/73/555637073.db2.gz ZXCCMQIYCAXJTE-UHFFFAOYSA-N -1 1 458.923 4.570 40 0 JJABMM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010314554 555680238 /nfs/dbraw/zinc/68/02/38/555680238.db2.gz NKSYKJXZHLIOHT-LJQANCHMSA-N -1 1 479.602 4.885 40 0 JJABMM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010314905 555681307 /nfs/dbraw/zinc/68/13/07/555681307.db2.gz POTHFRDXRBIIMV-SFHVURJKSA-N -1 1 465.575 4.576 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)c2)cc1 ZINC000010315068 555681608 /nfs/dbraw/zinc/68/16/08/555681608.db2.gz BUKRRIPGJXKMAW-UHFFFAOYSA-N -1 1 465.575 4.576 40 0 JJABMM CCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010334164 555689472 /nfs/dbraw/zinc/68/94/72/555689472.db2.gz MSALAZCPSKGFTJ-UHFFFAOYSA-N -1 1 465.575 4.578 40 0 JJABMM O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010357580 555695798 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ZINC000408548467 570194212 /nfs/dbraw/zinc/19/42/12/570194212.db2.gz SELRNDFTBCFHPM-UHFFFAOYSA-N -1 1 480.995 4.567 40 0 JJABMM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408559337 570199641 /nfs/dbraw/zinc/19/96/41/570199641.db2.gz VGSHWROKJIVTTJ-UHFFFAOYSA-N -1 1 481.357 4.820 40 0 JJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccccc1F ZINC000408561691 570201242 /nfs/dbraw/zinc/20/12/42/570201242.db2.gz VDXIUEIDKKYJEI-UHFFFAOYSA-N -1 1 469.321 4.951 40 0 JJABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1NC(=O)c1ccccc1F ZINC000408561847 570201400 /nfs/dbraw/zinc/20/14/00/570201400.db2.gz VYKXOMFTIIOPBV-UHFFFAOYSA-N -1 1 460.552 4.999 40 0 JJABMM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C(=O)NC1CCCCC1 ZINC000408589275 570208765 /nfs/dbraw/zinc/20/87/65/570208765.db2.gz GTVFCZUSFQITOG-SFHVURJKSA-N -1 1 452.576 4.857 40 0 JJABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OCC(=O)OC)c(Cl)c3)ccc21 ZINC000408591757 570209296 /nfs/dbraw/zinc/20/92/96/570209296.db2.gz JKAIKZVWGRGFQT-UHFFFAOYSA-N -1 1 472.950 4.820 40 0 JJABMM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2)cc1 ZINC000408592053 570209403 /nfs/dbraw/zinc/20/94/03/570209403.db2.gz NLOCVOCUBWYWEW-UHFFFAOYSA-N -1 1 468.575 4.856 40 0 JJABMM O=C(CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1)c1ccccc1F ZINC000001329573 194089058 /nfs/dbraw/zinc/08/90/58/194089058.db2.gz UYTDKCOYOLZGSE-UHFFFAOYSA-N -1 1 469.519 4.652 40 0 JJABMM COc1ccc(C(=O)c2[n-]n(-c3ccccc3)c3c(O)n(-c4cc(Cl)ccc4Cl)c(=O)c2-3)cc1 ZINC000003849266 194364579 /nfs/dbraw/zinc/36/45/79/194364579.db2.gz BAEKZKFUOAAURM-UNMCSNQZSA-N -1 1 494.334 4.619 40 0 JJABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 ZINC000020766136 195221361 /nfs/dbraw/zinc/22/13/61/195221361.db2.gz NOHZTZHCXUGRKA-UHFFFAOYSA-N -1 1 478.570 4.566 40 0 JJABMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000020766536 195222002 /nfs/dbraw/zinc/22/20/02/195222002.db2.gz LQRCGDKNJLGBBM-UHFFFAOYSA-N -1 1 483.977 4.692 40 0 JJABMM CC(C)Oc1ccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000020045123 519779591 /nfs/dbraw/zinc/77/95/91/519779591.db2.gz KXWCGVNJQYSALR-UHFFFAOYSA-N -1 1 458.967 4.858 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000044904781 521512300 /nfs/dbraw/zinc/51/23/00/521512300.db2.gz NGZXBNIONGQXCG-UHFFFAOYSA-N -1 1 458.923 4.570 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000016687871 521513955 /nfs/dbraw/zinc/51/39/55/521513955.db2.gz NIYIULMXUWCJJG-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000044880023 522885688 /nfs/dbraw/zinc/88/56/88/522885688.db2.gz UUFCSNJYGBMASQ-QFIPXVFZSA-N -1 1 474.966 4.946 40 0 JJABMM COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000020492990 524433017 /nfs/dbraw/zinc/43/30/17/524433017.db2.gz GENVYGCGYVCNQJ-UHFFFAOYSA-N -1 1 452.576 4.693 40 0 JJABMM COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000022515734 524433514 /nfs/dbraw/zinc/43/35/14/524433514.db2.gz DKUJLZDEOWGGLP-UHFFFAOYSA-N -1 1 452.576 4.693 40 0 JJABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000020492679 525108967 /nfs/dbraw/zinc/10/89/67/525108967.db2.gz IRXDLKQNUXYWED-KRWDZBQOSA-N -1 1 456.589 4.924 40 0 JJABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1OC ZINC000020107607 525110118 /nfs/dbraw/zinc/11/01/18/525110118.db2.gz PLALYXUCGAGFFU-KRWDZBQOSA-N -1 1 486.615 4.932 40 0 JJABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1OC ZINC000020491672 525113735 /nfs/dbraw/zinc/11/37/35/525113735.db2.gz LLMXWXXDGWPOTH-QGZVFWFLSA-N -1 1 486.615 4.932 40 0 JJABMM COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000020483062 525140916 /nfs/dbraw/zinc/14/09/16/525140916.db2.gz XPQMTSRNPQCNKP-LJQANCHMSA-N -1 1 452.576 4.912 40 0 JJABMM COc1ccc([C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1OC ZINC000044901644 525141421 /nfs/dbraw/zinc/14/14/21/525141421.db2.gz JMTYVOTTXQCTOD-OAHLLOKOSA-N -1 1 474.966 4.649 40 0 JJABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)cc1Cl ZINC000044946723 525301003 /nfs/dbraw/zinc/30/10/03/525301003.db2.gz BVIYPLFXUICHGF-UHFFFAOYSA-N -1 1 498.004 4.824 40 0 JJABMM COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000020453523 525314625 /nfs/dbraw/zinc/31/46/25/525314625.db2.gz ZLYBSZXZNMRRRN-IBGZPJMESA-N -1 1 452.576 4.912 40 0 JJABMM COc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1OC ZINC000044848434 525314962 /nfs/dbraw/zinc/31/49/62/525314962.db2.gz YYYCLADBVOYGAC-SFHVURJKSA-N -1 1 468.575 4.612 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(Cl)c2)cc1 ZINC000020495182 525597176 /nfs/dbraw/zinc/59/71/76/525597176.db2.gz SCGZMRIUTYBPGH-UHFFFAOYSA-N -1 1 487.984 4.551 40 0 JJABMM COc1cccc(CCCNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000020459417 525889609 /nfs/dbraw/zinc/88/96/09/525889609.db2.gz VPTZFMSDKUKSFQ-UHFFFAOYSA-N -1 1 458.967 4.512 40 0 JJABMM COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c([O-])c1 ZINC000022572231 526215995 /nfs/dbraw/zinc/21/59/95/526215995.db2.gz GHAOZUFFGJIVHE-UHFFFAOYSA-N -1 1 463.515 4.653 40 0 JJABMM Cc1nccn1-c1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000044885608 527386595 /nfs/dbraw/zinc/38/65/95/527386595.db2.gz YBDSRUPNYBHVHP-UHFFFAOYSA-N -1 1 495.004 4.873 40 0 JJABMM Cc1nccn1-c1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000022523287 527386851 /nfs/dbraw/zinc/38/68/51/527386851.db2.gz QKZVIUUXPYNPRI-UHFFFAOYSA-N -1 1 480.977 4.565 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)c4ccc(F)cc4)o3)cc2)cc1 ZINC000000897139 553832789 /nfs/dbraw/zinc/83/27/89/553832789.db2.gz KXFFZTLYDWAEEO-UHFFFAOYSA-N -1 1 483.546 4.960 40 0 JJABMM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1 ZINC000008768450 554669167 /nfs/dbraw/zinc/66/91/67/554669167.db2.gz JUSZSBMTAKZIPZ-CYXNTTPDSA-N -1 1 450.494 4.900 40 0 JJABMM COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)c1 ZINC000008833338 554730865 /nfs/dbraw/zinc/73/08/65/554730865.db2.gz HAPITMMFDPOOHN-UHFFFAOYSA-N -1 1 477.542 4.961 40 0 JJABMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCc3ccccc3Cl)c(OC)c1)CC(=O)N2 ZINC000013567336 555504694 /nfs/dbraw/zinc/50/46/94/555504694.db2.gz DNBAWASJONHGFW-OAHLLOKOSA-N -1 1 471.966 4.597 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSc3ccccc3)c2)cc1 ZINC000019931868 555549396 /nfs/dbraw/zinc/54/93/96/555549396.db2.gz FHTBUDMIEXNPRA-UHFFFAOYSA-N -1 1 461.008 4.971 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1C ZINC000013669455 555559412 /nfs/dbraw/zinc/55/94/12/555559412.db2.gz VIPLGUPUJDDSQD-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013677817 555568898 /nfs/dbraw/zinc/56/88/98/555568898.db2.gz LWXNDTBYMJYLKH-UHFFFAOYSA-N -1 1 489.553 4.571 40 0 JJABMM O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000010039266 555604409 /nfs/dbraw/zinc/60/44/09/555604409.db2.gz ZBRFPYWRYQRYRG-VZUCSPMQSA-N -1 1 456.907 4.521 40 0 JJABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(OC)cc1 ZINC000020104422 555636828 /nfs/dbraw/zinc/63/68/28/555636828.db2.gz SKZAXNISJQQHEL-HSZRJFAPSA-N -1 1 452.576 4.994 40 0 JJABMM COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1OC ZINC000020108205 555642829 /nfs/dbraw/zinc/64/28/29/555642829.db2.gz VSGSQULGGMAAAA-IBGZPJMESA-N -1 1 482.602 4.921 40 0 JJABMM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000020108523 555643404 /nfs/dbraw/zinc/64/34/04/555643404.db2.gz GPCYNSLUVUNVQI-HNNXBMFYSA-N -1 1 460.939 4.555 40 0 JJABMM COc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c(OC)cc1Cl ZINC000010314548 555680225 /nfs/dbraw/zinc/68/02/25/555680225.db2.gz LLKNAJGDEXZBCV-UHFFFAOYSA-N -1 1 460.939 4.719 40 0 JJABMM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010315026 555681342 /nfs/dbraw/zinc/68/13/42/555681342.db2.gz JSDYOZOAENOZHI-SFHVURJKSA-N -1 1 465.575 4.576 40 0 JJABMM CCOC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010367008 555698225 /nfs/dbraw/zinc/69/82/25/555698225.db2.gz LTXUCXUNHXNRPV-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM Cc1ccc(C(=O)Nc2ccc(I)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010370100 555699290 /nfs/dbraw/zinc/69/92/90/555699290.db2.gz OHDLQLAMTPXYAH-UHFFFAOYSA-N -1 1 492.338 4.653 40 0 JJABMM CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010371508 555700063 /nfs/dbraw/zinc/70/00/63/555700063.db2.gz JTMQNOYIPONHIP-UHFFFAOYSA-N -1 1 479.602 4.839 40 0 JJABMM COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000014153796 555710310 /nfs/dbraw/zinc/71/03/10/555710310.db2.gz ONFOIGOMXUZITB-UHFFFAOYSA-N -1 1 466.559 4.760 40 0 JJABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCC3)ccc2C)c1 ZINC000014153948 555710703 /nfs/dbraw/zinc/71/07/03/555710703.db2.gz XVSOWGPMLKKHPO-UHFFFAOYSA-N -1 1 491.613 4.901 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3cccc(C)c3)cc2)cc1 ZINC000014154609 555711802 /nfs/dbraw/zinc/71/18/02/555711802.db2.gz FFYOFLRHGMVEFC-UHFFFAOYSA-N -1 1 454.617 4.767 40 0 JJABMM COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)ccc1Cl ZINC000014155270 555713454 /nfs/dbraw/zinc/71/34/54/555713454.db2.gz UNJFMDPXEILECF-UHFFFAOYSA-N -1 1 472.950 4.797 40 0 JJABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)cc3[O-])nc2c1 ZINC000014275089 555779370 /nfs/dbraw/zinc/77/93/70/555779370.db2.gz BKUQRWRTNZVTHX-UHFFFAOYSA-N -1 1 475.526 4.661 40 0 JJABMM CCOc1c(Br)cc(CNn2c(=S)[n-]nc2-c2ccccc2OC)cc1OC ZINC000022111127 555878234 /nfs/dbraw/zinc/87/82/34/555878234.db2.gz XBPGEUJRCRCZJM-UHFFFAOYSA-N -1 1 465.373 4.530 40 0 JJABMM COc1cc(CNn2cn[n-]c2=S)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022111761 555878938 /nfs/dbraw/zinc/87/89/38/555878938.db2.gz JNRMWSDGQKBEPX-UHFFFAOYSA-N -1 1 455.765 4.688 40 0 JJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1C(=O)N1CCCC1 ZINC000026114804 556245463 /nfs/dbraw/zinc/24/54/63/556245463.db2.gz AEDWZCSHUPCYAR-UHFFFAOYSA-N -1 1 469.426 4.516 40 0 JJABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000026116795 556246659 /nfs/dbraw/zinc/24/66/59/556246659.db2.gz HFDDNAHCXJVKLP-UHFFFAOYSA-N -1 1 490.647 4.792 40 0 JJABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000028206695 556317382 /nfs/dbraw/zinc/31/73/82/556317382.db2.gz NFBDVQVFBFZEPI-UHFFFAOYSA-N -1 1 478.570 4.647 40 0 JJABMM COc1ccc(OC[C@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000030861660 556381874 /nfs/dbraw/zinc/38/18/74/556381874.db2.gz IAGVWAGTQOPLRU-KRWDZBQOSA-N -1 1 488.993 4.655 40 0 JJABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1OC ZINC000030861240 556381998 /nfs/dbraw/zinc/38/19/98/556381998.db2.gz CKVYVFZTFBGADQ-UHFFFAOYSA-N -1 1 494.613 4.774 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCN(c4ccccc4F)CC3)c2)cc1 ZINC000030863566 556382836 /nfs/dbraw/zinc/38/28/36/556382836.db2.gz SCVOTUFCYZVDBD-UHFFFAOYSA-N -1 1 487.984 4.551 40 0 JJABMM O=C(NCCSCc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000032340268 556434648 /nfs/dbraw/zinc/43/46/48/556434648.db2.gz MIZWDNRQDAIPGW-UHFFFAOYSA-N -1 1 461.008 4.804 40 0 JJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NC1CCCCC1 ZINC000033490715 569626938 /nfs/dbraw/zinc/62/69/38/569626938.db2.gz ZQTIKBUHWKQXHY-UHFFFAOYSA-N -1 1 457.379 4.622 40 0 JJABMM CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000035131663 569675588 /nfs/dbraw/zinc/67/55/88/569675588.db2.gz UVICBNMZVVBSJG-UHFFFAOYSA-N -1 1 466.559 4.842 40 0 JJABMM Cc1cc(I)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000072113908 569699607 /nfs/dbraw/zinc/69/96/07/569699607.db2.gz LDAUKUQTBXSVRC-UHFFFAOYSA-N -1 1 492.338 4.653 40 0 JJABMM O=c1c2c(nc3cc([C@H]4CCC[NH+](Cc5ccc(F)cc5)C4)[n-]n31)CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000100493037 569762201 /nfs/dbraw/zinc/76/22/01/569762201.db2.gz MKFMRDOLZREZKX-NRFANRHFSA-N -1 1 489.570 4.651 40 0 JJABMM COc1ccccc1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000038756406 569807308 /nfs/dbraw/zinc/80/73/08/569807308.db2.gz UMXDGDZJHJBFMF-UHFFFAOYSA-N -1 1 458.967 4.512 40 0 JJABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(Oc4ccccc4)cc2)CC(=O)N3)cc1 ZINC000040400423 569827623 /nfs/dbraw/zinc/82/76/23/569827623.db2.gz VRUKMFIDTZYXEV-NRFANRHFSA-N -1 1 481.512 4.679 40 0 JJABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)cc1Cl ZINC000040400312 569827655 /nfs/dbraw/zinc/82/76/55/569827655.db2.gz DZUSNYLHRGYTHR-AWEZNQCLSA-N -1 1 491.857 4.559 40 0 JJABMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)C1)nc2=O ZINC000049421424 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/nfs/dbraw/zinc/62/18/59/555621859.db2.gz NDFYDLMYXRPKGD-UHFFFAOYSA-N -1 1 452.576 4.557 40 0 JJABMM CCOc1ccccc1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010111044 555621908 /nfs/dbraw/zinc/62/19/08/555621908.db2.gz OFUWBOGEDYYMOQ-UHFFFAOYSA-N -1 1 466.603 4.866 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c(C)c1 ZINC000010112377 555625640 /nfs/dbraw/zinc/62/56/40/555625640.db2.gz RRDVILDOBYTPQM-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c(C)c1 ZINC000010112376 555625697 /nfs/dbraw/zinc/62/56/97/555625697.db2.gz CKPGXJZSZBETHZ-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1OC ZINC000020110433 555646622 /nfs/dbraw/zinc/64/66/22/555646622.db2.gz OYSGKIJWTSLFSG-IBGZPJMESA-N -1 1 482.602 4.921 40 0 JJABMM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010314501 555680154 /nfs/dbraw/zinc/68/01/54/555680154.db2.gz 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Cc1cc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010334923 555690054 /nfs/dbraw/zinc/69/00/54/555690054.db2.gz JVMXURPOLQHCJY-UHFFFAOYSA-N -1 1 465.575 4.576 40 0 JJABMM Cc1ccccc1CSCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010367641 555698515 /nfs/dbraw/zinc/69/85/15/555698515.db2.gz NJSVSSTTXBCABD-UHFFFAOYSA-N -1 1 454.617 4.767 40 0 JJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccco3)ccc2C)c(C)c1 ZINC000014154548 555711933 /nfs/dbraw/zinc/71/19/33/555711933.db2.gz IWLCLKAZJGHFJX-UHFFFAOYSA-N -1 1 458.605 4.669 40 0 JJABMM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000014155257 555713422 /nfs/dbraw/zinc/71/34/22/555713422.db2.gz ISTQGYFJQOFEOQ-IBGZPJMESA-N -1 1 479.602 4.885 40 0 JJABMM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000011609219 555789488 /nfs/dbraw/zinc/78/94/88/555789488.db2.gz ZXQVFRMWFDLWHO-HNNXBMFYSA-N -1 1 460.939 4.555 40 0 JJABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Cl)c1OCc1ccccc1 ZINC000022110991 555878300 /nfs/dbraw/zinc/87/83/00/555878300.db2.gz OJZVXIGKGIZXTL-UHFFFAOYSA-N -1 1 453.955 4.987 40 0 JJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026119219 556248255 /nfs/dbraw/zinc/24/82/55/556248255.db2.gz PHHSPJVFDDMQFY-UHFFFAOYSA-N -1 1 462.637 4.869 40 0 JJABMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc1Cl ZINC000026120080 556248865 /nfs/dbraw/zinc/24/88/65/556248865.db2.gz JLTQXLBPGYMUCC-UHFFFAOYSA-N -1 1 469.028 4.888 40 0 JJABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)ccc1Cl ZINC000026120590 556249114 /nfs/dbraw/zinc/24/91/14/556249114.db2.gz NYUUPVSXZCEODN-UHFFFAOYSA-N -1 1 497.038 4.666 40 0 JJABMM O=C(Nc1cccc2c1O[C@@H](c1nn[n-]n1)CC2=O)c1ccc(OCCCCc2ccccc2)cc1 ZINC000027645788 556301619 /nfs/dbraw/zinc/30/16/19/556301619.db2.gz WTACCGLFWIXCML-XMMPIXPASA-N -1 1 483.528 4.560 40 0 JJABMM CCOC(=O)c1ccc(C)c(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000030867059 556383482 /nfs/dbraw/zinc/38/34/82/556383482.db2.gz WIQPOFVRFPEFSX-UHFFFAOYSA-N -1 1 472.950 4.878 40 0 JJABMM CCOc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1OCC ZINC000030869403 556384533 /nfs/dbraw/zinc/38/45/33/556384533.db2.gz SFORNRWXCQRHRR-UHFFFAOYSA-N -1 1 488.993 4.868 40 0 JJABMM O=C(CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1)c1ccc(O)cc1 ZINC000059417597 569602781 /nfs/dbraw/zinc/60/27/81/569602781.db2.gz JBVKQGMBGKBCCM-UHFFFAOYSA-N -1 1 456.570 4.778 40 0 JJABMM C[C@@H](Sc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1)C(=O)Nc1nccs1 ZINC000059489644 569605759 /nfs/dbraw/zinc/60/57/59/569605759.db2.gz PSWBTLWOAIORME-GFCCVEGCSA-N -1 1 476.630 4.673 40 0 JJABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000033383623 569625418 /nfs/dbraw/zinc/62/54/18/569625418.db2.gz YIXYTCBOJSTKPG-UHFFFAOYSA-N -1 1 488.949 4.578 40 0 JJABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)c(Cl)c1 ZINC000040400337 569827557 /nfs/dbraw/zinc/82/75/57/569827557.db2.gz PQXZBVLESXPOAJ-ZDUSSCGKSA-N -1 1 491.857 4.559 40 0 JJABMM O=C1N[C@@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169689177 569871388 /nfs/dbraw/zinc/87/13/88/569871388.db2.gz AMGPDIQQDTWGEK-WFXMLNOXSA-N -1 1 464.827 4.704 40 0 JJABMM COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1OC ZINC000216267680 569878082 /nfs/dbraw/zinc/87/80/82/569878082.db2.gz LPMVHSPWJGBRMO-LJQANCHMSA-N -1 1 482.602 4.921 40 0 JJABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000216474727 569879059 /nfs/dbraw/zinc/87/90/59/569879059.db2.gz YNAIIEMRPQFSAS-LJQANCHMSA-N -1 1 452.576 4.994 40 0 JJABMM COc1ccc(OC)c([C@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000222818327 569891869 /nfs/dbraw/zinc/89/18/69/569891869.db2.gz AOLQUFMRIUDXEV-INIZCTEOSA-N -1 1 488.993 4.957 40 0 JJABMM Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)c1 ZINC000222837982 569892355 /nfs/dbraw/zinc/89/23/55/569892355.db2.gz OYANGNNLTLDMCA-UHFFFAOYSA-N 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ZINC000020484806 521443995 /nfs/dbraw/zinc/44/39/95/521443995.db2.gz NNGVTNHIZGUETN-UHFFFAOYSA-N -1 1 472.950 4.878 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 ZINC000020452871 521514498 /nfs/dbraw/zinc/51/44/98/521514498.db2.gz OEJQMSMTYSGIPD-UHFFFAOYSA-N -1 1 472.950 4.878 40 0 JJABMM COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/NC(=S)[N-]C3=O)c2-c2ccccc2)cc1 ZINC000016194227 521931256 /nfs/dbraw/zinc/93/12/56/521931256.db2.gz KFCRDMPFZPMEEO-XQNSMLJCSA-N -1 1 479.561 4.943 40 0 JJABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1)c1ccc(OC)cc1 ZINC000020487215 522532105 /nfs/dbraw/zinc/53/21/05/522532105.db2.gz MACIOUNYTFQAID-QFIPXVFZSA-N -1 1 452.576 4.994 40 0 JJABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(N4CCCC4=O)c3)ccc21 ZINC000020484882 523277958 /nfs/dbraw/zinc/27/79/58/523277958.db2.gz WOFZMSSUUWHPHY-UHFFFAOYSA-N -1 1 463.559 4.751 40 0 JJABMM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1OC ZINC000020495101 523926672 /nfs/dbraw/zinc/92/66/72/523926672.db2.gz MODCUIPGHJSVJB-UHFFFAOYSA-N -1 1 474.966 4.729 40 0 JJABMM COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020460500 523999951 /nfs/dbraw/zinc/99/99/51/523999951.db2.gz MGGRXKBCLCLQCN-UHFFFAOYSA-N -1 1 458.967 4.730 40 0 JJABMM COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000044841051 524433142 /nfs/dbraw/zinc/43/31/42/524433142.db2.gz GCAQSYAPHKBRJN-UHFFFAOYSA-N -1 1 452.576 4.693 40 0 JJABMM COc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1OC ZINC000020105361 524627625 /nfs/dbraw/zinc/62/76/25/524627625.db2.gz LCBOVKWZDOLCNL-UHFFFAOYSA-N -1 1 460.939 4.719 40 0 JJABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c(OC)c1 ZINC000044846446 524636933 /nfs/dbraw/zinc/63/69/33/524636933.db2.gz DOPWZPFPYFXVLM-UHFFFAOYSA-N -1 1 460.939 4.719 40 0 JJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2C)c1 ZINC000022511364 524690126 /nfs/dbraw/zinc/69/01/26/524690126.db2.gz NTAPWZHSKQZNJD-UHFFFAOYSA-N -1 1 452.576 4.821 40 0 JJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)cc1N1CCCC1=O ZINC000020455235 525079519 /nfs/dbraw/zinc/07/95/19/525079519.db2.gz DABPVEQZVAUWEZ-UHFFFAOYSA-N -1 1 468.600 4.915 40 0 JJABMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000044949439 526702444 /nfs/dbraw/zinc/70/24/44/526702444.db2.gz GHRBDLHCGVOHBD-JXMROGBWSA-N -1 1 496.032 4.612 40 0 JJABMM O=C([O-])C1CCN(Cc2c(-c3ccc(Br)cc3)nc3ccc(Br)cn32)CC1 ZINC000002528866 554232647 /nfs/dbraw/zinc/23/26/47/554232647.db2.gz QGRKEDIOARPKTP-UHFFFAOYSA-N -1 1 493.199 4.823 40 0 JJABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1 ZINC000008810567 554691006 /nfs/dbraw/zinc/69/10/06/554691006.db2.gz MWPYMIMXBCKPTB-UHFFFAOYSA-N -1 1 497.331 4.972 40 0 JJABMM COc1cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc(OC)c1OC ZINC000008833318 554730795 /nfs/dbraw/zinc/73/07/95/554730795.db2.gz PALYJIQQOFANII-UHFFFAOYSA-N -1 1 493.541 4.661 40 0 JJABMM CCN1c2ccc(S(=O)(=O)[N-]c3ccc4oc5c(c4c3)C(=O)CCC5)c3cccc(c23)C1=O ZINC000008870471 554765668 /nfs/dbraw/zinc/76/56/68/554765668.db2.gz KXDUFJNWGMVNNZ-UHFFFAOYSA-N -1 1 460.511 4.886 40 0 JJABMM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)c1 ZINC000009075592 554886706 /nfs/dbraw/zinc/88/67/06/554886706.db2.gz NXNRZMZYTUWXGY-CYXNTTPDSA-N -1 1 450.494 4.900 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1C ZINC000013648259 555552681 /nfs/dbraw/zinc/55/26/81/555552681.db2.gz BUQKIYYQFLBUQH-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000013668782 555558063 /nfs/dbraw/zinc/55/80/63/555558063.db2.gz DCRTWJQHXOMIFW-UHFFFAOYSA-N -1 1 466.559 4.842 40 0 JJABMM CCOC(=O)c1ccc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1 ZINC000013668965 555558371 /nfs/dbraw/zinc/55/83/71/555558371.db2.gz UAGMNUMFPCGBNW-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c1C ZINC000013670973 555562092 /nfs/dbraw/zinc/56/20/92/555562092.db2.gz MRWFOUZYEVXDFE-UHFFFAOYSA-N -1 1 466.559 4.842 40 0 JJABMM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000013674611 555566018 /nfs/dbraw/zinc/56/60/18/555566018.db2.gz PAKZFVKMZOPCLV-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)c1C ZINC000013676136 555567190 /nfs/dbraw/zinc/56/71/90/555567190.db2.gz MEMDAGSNWIIDDJ-UHFFFAOYSA-N -1 1 466.559 4.842 40 0 JJABMM COC(=O)c1c2c(sc1NC(=O)c1cccc([N-]S(=O)(=O)c3ccc(C)cc3)c1)CCCC2 ZINC000013678781 555570157 /nfs/dbraw/zinc/57/01/57/555570157.db2.gz CRQNADAFWZAZAQ-UHFFFAOYSA-N -1 1 484.599 4.775 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)c2C)cc1 ZINC000013680755 555573299 /nfs/dbraw/zinc/57/32/99/555573299.db2.gz DIAYANNSAWPYGM-UHFFFAOYSA-N -1 1 491.613 4.983 40 0 JJABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)c1 ZINC000020021052 555598168 /nfs/dbraw/zinc/59/81/68/555598168.db2.gz ILIGVKQCVHLYLS-UHFFFAOYSA-N -1 1 498.454 4.671 40 0 JJABMM COc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000020024289 555602363 /nfs/dbraw/zinc/60/23/63/555602363.db2.gz CYRPFEFJMDHFJJ-IBGZPJMESA-N -1 1 452.576 4.614 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c(Cl)c1 ZINC000020039583 555613020 /nfs/dbraw/zinc/61/30/20/555613020.db2.gz SKBMOPDNTMDHER-UHFFFAOYSA-N -1 1 472.950 4.878 40 0 JJABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1OC ZINC000020049779 555619094 /nfs/dbraw/zinc/61/90/94/555619094.db2.gz AHBVSCUAKDWSPV-UHFFFAOYSA-N -1 1 493.006 4.889 40 0 JJABMM CCOc1ccccc1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010110994 555621525 /nfs/dbraw/zinc/62/15/25/555621525.db2.gz XOHVHONKDZZDPP-UHFFFAOYSA-N -1 1 452.576 4.557 40 0 JJABMM Cc1ccc(C(=O)NCCSCc2ccccc2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000010112053 555624280 /nfs/dbraw/zinc/62/42/80/555624280.db2.gz ALROPSXITWVGGN-UHFFFAOYSA-N -1 1 458.580 4.598 40 0 JJABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSCc2ccccc2F)ccc1C ZINC000010112054 555624321 /nfs/dbraw/zinc/62/43/21/555624321.db2.gz DPEUZZDMAHLXNB-UHFFFAOYSA-N -1 1 472.607 4.907 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCSCc3ccccc3F)ccc2C)cc1 ZINC000010112070 555624565 /nfs/dbraw/zinc/62/45/65/555624565.db2.gz BVANBAFJJQDUGP-UHFFFAOYSA-N -1 1 472.607 4.907 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccccc3F)c2C)cc1 ZINC000010112068 555624613 /nfs/dbraw/zinc/62/46/13/555624613.db2.gz CWZJAZDYEQVDLT-UHFFFAOYSA-N -1 1 472.607 4.907 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000010112253 555625042 /nfs/dbraw/zinc/62/50/42/555625042.db2.gz OEOQDFSCLFMXFO-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010112340 555625266 /nfs/dbraw/zinc/62/52/66/555625266.db2.gz AJSCLVINWPMZIG-UHFFFAOYSA-N -1 1 466.559 4.842 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 ZINC000010112271 555625291 /nfs/dbraw/zinc/62/52/91/555625291.db2.gz QPCJLNQKKFBKEQ-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1C ZINC000010112289 555625378 /nfs/dbraw/zinc/62/53/78/555625378.db2.gz NWSJMTBXHISJFY-UHFFFAOYSA-N -1 1 466.559 4.842 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3cccc(OC(C)C)c3)cc2)cc1 ZINC000010112603 555625667 /nfs/dbraw/zinc/62/56/67/555625667.db2.gz SCMCWKBPNNDNMC-UHFFFAOYSA-N -1 1 466.603 4.946 40 0 JJABMM CCOc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1OCC ZINC000010112637 555626009 /nfs/dbraw/zinc/62/60/09/555626009.db2.gz FMYJDPIKMUUBLW-SFHVURJKSA-N -1 1 468.575 4.776 40 0 JJABMM O=C(c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020104095 555636259 /nfs/dbraw/zinc/63/62/59/555636259.db2.gz VFYQSTNRKVIXTH-UHFFFAOYSA-N -1 1 490.412 4.757 40 0 JJABMM CCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000020107498 555641125 /nfs/dbraw/zinc/64/11/25/555641125.db2.gz FHFJQODXSDJUHF-UHFFFAOYSA-N -1 1 452.576 4.741 40 0 JJABMM CCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000020112057 555649286 /nfs/dbraw/zinc/64/92/86/555649286.db2.gz DRSKPOORPDKWLF-UHFFFAOYSA-N -1 1 452.576 4.741 40 0 JJABMM CCCCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010314463 555680229 /nfs/dbraw/zinc/68/02/29/555680229.db2.gz RCLSJUAEMUUCOD-UHFFFAOYSA-N -1 1 452.532 4.697 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Br)cc3F)c2)cc1 ZINC000010315101 555681708 /nfs/dbraw/zinc/68/17/08/555681708.db2.gz FGSMSYBZSZFQEP-UHFFFAOYSA-N -1 1 463.328 4.950 40 0 JJABMM O=C(NCCSCc1ccc(Cl)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010332886 555688620 /nfs/dbraw/zinc/68/86/20/555688620.db2.gz PXQFGCYIVUDLES-UHFFFAOYSA-N -1 1 461.008 4.804 40 0 JJABMM CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010333487 555689141 /nfs/dbraw/zinc/68/91/41/555689141.db2.gz OFKBERVIRPXBJG-UHFFFAOYSA-N -1 1 479.602 4.839 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000010335131 555690071 /nfs/dbraw/zinc/69/00/71/555690071.db2.gz MENKVEDJKCPFMK-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM COC(=O)c1ccc(Cl)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)c1 ZINC000010365772 555697913 /nfs/dbraw/zinc/69/79/13/555697913.db2.gz IZSMLTYEZNLXIO-UHFFFAOYSA-N -1 1 472.950 4.797 40 0 JJABMM CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010365615 555697944 /nfs/dbraw/zinc/69/79/44/555697944.db2.gz XSXCMODSBQMARH-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM Cc1cc(C(=O)NCCSc2ccc(Cl)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010366720 555698178 /nfs/dbraw/zinc/69/81/78/555698178.db2.gz CONGFOYMUZXBJY-UHFFFAOYSA-N -1 1 461.008 4.971 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)NCC(C)C)c2C)cc1 ZINC000010367207 555698233 /nfs/dbraw/zinc/69/82/33/555698233.db2.gz XVLBRPFQWMFMGF-UHFFFAOYSA-N -1 1 479.602 4.742 40 0 JJABMM Cc1cccc(CSCCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000010372466 555700554 /nfs/dbraw/zinc/70/05/54/555700554.db2.gz FLQVEZXOJRLVHG-UHFFFAOYSA-N -1 1 454.617 4.767 40 0 JJABMM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000014401034 555806453 /nfs/dbraw/zinc/80/64/53/555806453.db2.gz OUPGQGUMUFTACQ-HSZRJFAPSA-N -1 1 454.548 4.601 40 0 JJABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc1)CCC2 ZINC000020571309 555823667 /nfs/dbraw/zinc/82/36/67/555823667.db2.gz WPMZZYIMXKVFAB-UHFFFAOYSA-N -1 1 484.599 4.775 40 0 JJABMM CCc1n[n-]c(=S)n1NCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000022110468 555877658 /nfs/dbraw/zinc/87/76/58/555877658.db2.gz HECOWCVFMMXXKP-UHFFFAOYSA-N -1 1 467.364 4.736 40 0 JJABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)ccc1OCc1ccc(Cl)cc1 ZINC000022110591 555877669 /nfs/dbraw/zinc/87/76/69/555877669.db2.gz LTZWFRZXVQURML-UHFFFAOYSA-N -1 1 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ZINC000408705772 570024859 /nfs/dbraw/zinc/02/48/59/570024859.db2.gz NDNXIPCAIHWYIA-INIZCTEOSA-N -1 1 474.966 4.864 40 0 JJABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 ZINC000408706301 570025091 /nfs/dbraw/zinc/02/50/91/570025091.db2.gz ZMDLJBOUEHBSOL-HNNXBMFYSA-N -1 1 462.930 4.994 40 0 JJABMM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408706475 570025191 /nfs/dbraw/zinc/02/51/91/570025191.db2.gz YQGMSCLYNRAJEW-JOCHJYFZSA-N -1 1 474.966 4.946 40 0 JJABMM COc1cc(I)c(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1OC ZINC000408735787 570030271 /nfs/dbraw/zinc/03/02/71/570030271.db2.gz XSDRYWJDDOCKIQ-UHFFFAOYSA-N -1 1 468.316 4.565 40 0 JJABMM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000408906039 570070693 /nfs/dbraw/zinc/07/06/93/570070693.db2.gz CIUOKILMUJPWOY-UHFFFAOYSA-N -1 1 461.337 4.511 40 0 JJABMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c(C)c1 ZINC000409126848 570138281 /nfs/dbraw/zinc/13/82/81/570138281.db2.gz 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1 465.575 4.576 40 0 JJABMM CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000408547626 570193831 /nfs/dbraw/zinc/19/38/31/570193831.db2.gz KFNRCVMOSBHYFJ-UHFFFAOYSA-N -1 1 479.602 4.886 40 0 JJABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408555153 570196721 /nfs/dbraw/zinc/19/67/21/570196721.db2.gz DXWASIFMWPGWFJ-UHFFFAOYSA-N -1 1 488.949 4.578 40 0 JJABMM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408563300 570202230 /nfs/dbraw/zinc/20/22/30/570202230.db2.gz LFEIVIDRXULJNA-UHFFFAOYSA-N -1 1 460.939 4.719 40 0 JJABMM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408576368 570205877 /nfs/dbraw/zinc/20/58/77/570205877.db2.gz SVHNYAXSIFPOPU-UHFFFAOYSA-N -1 1 491.363 4.519 40 0 JJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NC1CCCCCCC1 ZINC000408588277 570208535 /nfs/dbraw/zinc/20/85/35/570208535.db2.gz FJOFVULXOPVRKM-UHFFFAOYSA-N -1 1 450.988 4.749 40 0 JJABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000408590585 570209067 /nfs/dbraw/zinc/20/90/67/570209067.db2.gz JWGJWUSHIPDYCV-UHFFFAOYSA-N -1 1 481.357 4.820 40 0 JJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)c4ccccc4)o3)cc2)cc1 ZINC000001326441 194087377 /nfs/dbraw/zinc/08/73/77/194087377.db2.gz MNOTUFWJIOOCLM-UHFFFAOYSA-N -1 1 481.555 4.521 40 0 JJABMM O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000020765673 195221084 /nfs/dbraw/zinc/22/10/84/195221084.db2.gz ZJYONUODFPDITL-UHFFFAOYSA-N -1 1 471.376 4.843 40 0 JJABMM Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224872643 195471955 /nfs/dbraw/zinc/47/19/55/195471955.db2.gz OCKDBIPBWPEKGY-UHFFFAOYSA-N -1 1 450.438 4.947 40 0 JJABMM CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000020455979 521256199 /nfs/dbraw/zinc/25/61/99/521256199.db2.gz JRVBXCYZDHDLTC-IBGZPJMESA-N -1 1 452.576 4.994 40 0 JJABMM CCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000020488032 521501030 /nfs/dbraw/zinc/50/10/30/521501030.db2.gz XFMCLCIYZJUHJN-UHFFFAOYSA-N -1 1 452.576 4.741 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000020481341 521514137 /nfs/dbraw/zinc/51/41/37/521514137.db2.gz BGMJNSRMUILHLU-UHFFFAOYSA-N -1 1 458.923 4.570 40 0 JJABMM CCOC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020460075 521557275 /nfs/dbraw/zinc/55/72/75/521557275.db2.gz JBAUBSKWQZDVJG-UHFFFAOYSA-N -1 1 472.950 4.878 40 0 JJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3ccnc3)ccc2C)c1 ZINC000022509010 524159934 /nfs/dbraw/zinc/15/99/34/524159934.db2.gz NAHJRJKLKUQZLS-UHFFFAOYSA-N -1 1 474.586 4.528 40 0 JJABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2C)c1 ZINC000022534051 524439598 /nfs/dbraw/zinc/43/95/98/524439598.db2.gz TZSIJXGJEVIUOL-UHFFFAOYSA-N -1 1 477.586 4.792 40 0 JJABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000038771426 525112471 /nfs/dbraw/zinc/11/24/71/525112471.db2.gz JLYKFSDTZKBFOC-QGZVFWFLSA-N -1 1 456.589 4.924 40 0 JJABMM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)c1ccc(F)cc1 ZINC000022537492 525118601 /nfs/dbraw/zinc/11/86/01/525118601.db2.gz AMCGDHKBPUXAPA-OAHLLOKOSA-N -1 1 462.930 4.536 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccc(-n4ccnc4)cc3)c2)cc1 ZINC000022509032 525603847 /nfs/dbraw/zinc/60/38/47/525603847.db2.gz OAIYLXADIALPOC-UHFFFAOYSA-N -1 1 480.977 4.565 40 0 JJABMM COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1 ZINC000022741310 526216029 /nfs/dbraw/zinc/21/60/29/526216029.db2.gz VJOKXQXZSOOZJA-UHFFFAOYSA-N -1 1 483.933 4.998 40 0 JJABMM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c1 ZINC000020454063 526237776 /nfs/dbraw/zinc/23/77/76/526237776.db2.gz WQSGKLRRVOYYFA-INIZCTEOSA-N -1 1 474.966 4.864 40 0 JJABMM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000020456941 527249400 /nfs/dbraw/zinc/24/94/00/527249400.db2.gz RDQNDGZVDIIGKM-UHFFFAOYSA-N -1 1 486.615 4.844 40 0 JJABMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cc1OC ZINC000008810093 554689532 /nfs/dbraw/zinc/68/95/32/554689532.db2.gz ZRYDKXONDXCZAK-UHFFFAOYSA-N -1 1 464.902 4.549 40 0 JJABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1 ZINC000008810261 554690044 /nfs/dbraw/zinc/69/00/44/554690044.db2.gz PPOADNFEODXYAJ-UHFFFAOYSA-N -1 1 476.913 4.709 40 0 JJABMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1Cl ZINC000008810707 554691196 /nfs/dbraw/zinc/69/11/96/554691196.db2.gz HBCCKEPVHSMHJD-UHFFFAOYSA-N -1 1 452.866 4.680 40 0 JJABMM O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915313 554808917 /nfs/dbraw/zinc/80/89/17/554808917.db2.gz OHNOHZYIEIIUNQ-GRDNDAEWSA-N -1 1 467.658 4.751 40 0 JJABMM CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000013676493 555567328 /nfs/dbraw/zinc/56/73/28/555567328.db2.gz FRTZLSGZNMYCFQ-UHFFFAOYSA-N -1 1 466.603 4.866 40 0 JJABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000013676777 555567464 /nfs/dbraw/zinc/56/74/64/555567464.db2.gz LYQVMGLSZGYSIZ-UHFFFAOYSA-N -1 1 477.586 4.674 40 0 JJABMM COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000020024274 555602394 /nfs/dbraw/zinc/60/23/94/555602394.db2.gz URTDBXFUECDTET-IBGZPJMESA-N -1 1 452.576 4.614 40 0 JJABMM CCOC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)ccc1Cl ZINC000020036855 555611222 /nfs/dbraw/zinc/61/12/22/555611222.db2.gz KECWSAGGNTXJAZ-UHFFFAOYSA-N -1 1 472.950 4.878 40 0 JJABMM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020038255 555612113 /nfs/dbraw/zinc/61/21/13/555612113.db2.gz QSBRTMJIHCJSIM-MRXNPFEDSA-N -1 1 485.993 4.921 40 0 JJABMM COC(=O)c1ccc(C)c(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000020044727 555615893 /nfs/dbraw/zinc/61/58/93/555615893.db2.gz FYUPDNQTQSNGNY-UHFFFAOYSA-N -1 1 472.950 4.797 40 0 JJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(-n4ccnc4)cc3)ccc2C)c1C ZINC000020048808 555618463 /nfs/dbraw/zinc/61/84/63/555618463.db2.gz NRTXQGWGUAJPNF-UHFFFAOYSA-N -1 1 474.586 4.528 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000020050614 555619710 /nfs/dbraw/zinc/61/97/10/555619710.db2.gz UWZGGOAWXJLXQK-UHFFFAOYSA-N -1 1 472.950 4.878 40 0 JJABMM Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020050722 555620104 /nfs/dbraw/zinc/62/01/04/555620104.db2.gz GVWOENHLCRQNOA-INIZCTEOSA-N -1 1 489.391 4.964 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000010112258 555625319 /nfs/dbraw/zinc/62/53/19/555625319.db2.gz NCIKDMWMIRKTIA-UHFFFAOYSA-N -1 1 466.559 4.842 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)c2)cc1 ZINC000010314459 555680181 /nfs/dbraw/zinc/68/01/81/555680181.db2.gz DQJKKQLADGYRKX-UHFFFAOYSA-N -1 1 499.592 4.978 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(I)cc3)c2)cc1 ZINC000010314446 555680199 /nfs/dbraw/zinc/68/01/99/555680199.db2.gz XVHOUHFFJUWGSB-UHFFFAOYSA-N -1 1 492.338 4.653 40 0 JJABMM CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010314822 555680835 /nfs/dbraw/zinc/68/08/35/555680835.db2.gz YPOBDNOGTLLAFW-UHFFFAOYSA-N -1 1 479.602 4.886 40 0 JJABMM COc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c(OC)cc1Cl ZINC000010315021 555681246 /nfs/dbraw/zinc/68/12/46/555681246.db2.gz YCXOBZUPBBFWCE-UHFFFAOYSA-N -1 1 460.939 4.719 40 0 JJABMM Cc1ccccc1CSCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000014153472 555709295 /nfs/dbraw/zinc/70/92/95/555709295.db2.gz PRQQBIVEVPIDKS-UHFFFAOYSA-N -1 1 454.617 4.767 40 0 JJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2C)c1C ZINC000014154991 555712872 /nfs/dbraw/zinc/71/28/72/555712872.db2.gz JSFQAIPUOKHEKL-UHFFFAOYSA-N -1 1 481.593 4.514 40 0 JJABMM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000014155255 555713443 /nfs/dbraw/zinc/71/34/43/555713443.db2.gz ISTQGYFJQOFEOQ-LJQANCHMSA-N -1 1 479.602 4.885 40 0 JJABMM CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000014155310 555713460 /nfs/dbraw/zinc/71/34/60/555713460.db2.gz ONMLSBVUMOMMRO-UHFFFAOYSA-N -1 1 479.602 4.805 40 0 JJABMM CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000014396866 555802603 /nfs/dbraw/zinc/80/26/03/555802603.db2.gz MGLXRCAPKDEPGV-DEOSSOPVSA-N -1 1 468.575 4.909 40 0 JJABMM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000014396864 555802610 /nfs/dbraw/zinc/80/26/10/555802610.db2.gz MGLXRCAPKDEPGV-XMMPIXPASA-N -1 1 468.575 4.909 40 0 JJABMM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000014398080 555803920 /nfs/dbraw/zinc/80/39/20/555803920.db2.gz OVAKUGWAOAXFFW-JOCHJYFZSA-N -1 1 474.966 4.946 40 0 JJABMM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1 ZINC000014400435 555805935 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475.364 4.819 40 0 JJABMM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc(OC)c1OC ZINC000408566011 570203641 /nfs/dbraw/zinc/20/36/41/570203641.db2.gz MPJSUGARJHAALZ-UHFFFAOYSA-N -1 1 490.965 4.727 40 0 JJABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N[C@@H](C)CCc3ccccc3)cc2)cc1 ZINC000408584362 570207574 /nfs/dbraw/zinc/20/75/74/570207574.db2.gz OQYQUMSGOIHYPI-NRFANRHFSA-N -1 1 450.604 4.866 40 0 JJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1)N1CCCCCC1 ZINC000408585265 570207877 /nfs/dbraw/zinc/20/78/77/570207877.db2.gz YHOPEFXLVSBTRU-UHFFFAOYSA-N -1 1 452.374 4.658 40 0 JJABMM CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N([N-]C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]12 ZINC000001437050 194120465 /nfs/dbraw/zinc/12/04/65/194120465.db2.gz OZYUUIDBLCSWJI-YPHDTHBOSA-N -1 1 477.347 4.705 40 0 JJABMM CCOc1cccc2c(C)nc(Nc3nc(CSc4nc5ccccc5o4)cc(=O)[n-]3)nc12 ZINC000009938955 195028731 /nfs/dbraw/zinc/02/87/31/195028731.db2.gz BPEWGUZFYVXPMM-UHFFFAOYSA-N -1 1 460.519 4.597 40 0 JJABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018045071 520899501 /nfs/dbraw/zinc/89/95/01/520899501.db2.gz JPEMRARTJNKTAG-ZNZIZOMTSA-N -1 1 472.541 4.925 40 0 JJABMM CCOc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000022525218 521356540 /nfs/dbraw/zinc/35/65/40/521356540.db2.gz FURGKUTWLFBBSH-UHFFFAOYSA-N -1 1 458.967 4.778 40 0 JJABMM CCOc1ccccc1CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020495535 521498267 /nfs/dbraw/zinc/49/82/67/521498267.db2.gz FYJSCLVDFMIPDM-UHFFFAOYSA-N -1 1 458.967 4.778 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1Cl ZINC000020456562 521514918 /nfs/dbraw/zinc/51/49/18/521514918.db2.gz MZKVVLKWSSLQEJ-UHFFFAOYSA-N -1 1 472.950 4.878 40 0 JJABMM COc1cc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)ccc1OC(C)C ZINC000020491445 522432517 /nfs/dbraw/zinc/43/25/17/522432517.db2.gz DGUZDNWBGJUSGG-UHFFFAOYSA-N -1 1 488.993 4.867 40 0 JJABMM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000022521396 522885974 /nfs/dbraw/zinc/88/59/74/522885974.db2.gz IRBLUEKKOQGHCH-DEOSSOPVSA-N -1 1 468.575 4.909 40 0 JJABMM COc1ccc([C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020457603 525141781 /nfs/dbraw/zinc/14/17/81/525141781.db2.gz COWKLPAYGDUNDX-MRXNPFEDSA-N -1 1 458.967 4.949 40 0 JJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2C)cc1C ZINC000044900057 525294987 /nfs/dbraw/zinc/29/49/87/525294987.db2.gz QKRZSBFDXYYBPM-UHFFFAOYSA-N -1 1 477.586 4.792 40 0 JJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3ccnc3)ccc2C)cc1C ZINC000020456366 525295974 /nfs/dbraw/zinc/29/59/74/525295974.db2.gz YJELTMVXRCDVCW-UHFFFAOYSA-N -1 1 474.586 4.528 40 0 JJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2C)cc1 ZINC000022522293 525297077 /nfs/dbraw/zinc/29/70/77/525297077.db2.gz MWWQATCNOYFWFH-UHFFFAOYSA-N -1 1 452.576 4.821 40 0 JJABMM COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c([O-])c1 ZINC000022713682 526216421 /nfs/dbraw/zinc/21/64/21/526216421.db2.gz XYPDOEXAWCXDRR-UHFFFAOYSA-N -1 1 477.542 4.961 40 0 JJABMM O=C(NCCSCc1ccccc1F)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020495547 526373432 /nfs/dbraw/zinc/37/34/32/526373432.db2.gz NHBOPJGLMAUIRH-UHFFFAOYSA-N -1 1 478.998 4.943 40 0 JJABMM O=C1N[C@@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000002459082 554222555 /nfs/dbraw/zinc/22/25/55/554222555.db2.gz AMGPDIQQDTWGEK-LVCYWYKZSA-N -1 1 464.827 4.704 40 0 JJABMM COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc1OC ZINC000008833332 554730807 /nfs/dbraw/zinc/73/08/07/554730807.db2.gz VUWVDEGLWAGJQV-UHFFFAOYSA-N -1 1 477.542 4.961 40 0 JJABMM O=C1N[C@@H](c2ccc(-c3ccc(F)cc3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915327 554808867 /nfs/dbraw/zinc/80/88/67/554808867.db2.gz PQOJUFIDPPNRJJ-WFXMLNOXSA-N -1 1 482.817 4.843 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000019932862 555550359 /nfs/dbraw/zinc/55/03/59/555550359.db2.gz IOZZDNXAROCGJR-UHFFFAOYSA-N -1 1 472.950 4.878 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccccc3F)cc2C)cc1 ZINC000013649072 555553509 /nfs/dbraw/zinc/55/35/09/555553509.db2.gz YAMTWLHHWKGIQZ-UHFFFAOYSA-N -1 1 472.607 4.907 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c(C)c1 ZINC000013649458 555553803 /nfs/dbraw/zinc/55/38/03/555553803.db2.gz OZXOBZUERTZIRV-UHFFFAOYSA-N -1 1 466.559 4.842 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2C)cc1 ZINC000013676872 555567748 /nfs/dbraw/zinc/56/77/48/555567748.db2.gz LSGJCIRCOHJNJR-UHFFFAOYSA-N -1 1 477.630 4.683 40 0 JJABMM COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1OC ZINC000020024278 555602396 /nfs/dbraw/zinc/60/23/96/555602396.db2.gz WGSWWNABGOCBMZ-LJQANCHMSA-N -1 1 482.602 4.623 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(Cl)c1 ZINC000020043195 555614771 /nfs/dbraw/zinc/61/47/71/555614771.db2.gz VTVZBQCCNXXJTP-UHFFFAOYSA-N -1 1 458.923 4.570 40 0 JJABMM CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1 ZINC000020048044 555618295 /nfs/dbraw/zinc/61/82/95/555618295.db2.gz GUOXIJJYLDSXCU-UHFFFAOYSA-N -1 1 452.576 4.741 40 0 JJABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1OC ZINC000020050055 555619363 /nfs/dbraw/zinc/61/93/63/555619363.db2.gz AXQHHQHDZGCISN-UHFFFAOYSA-N -1 1 472.588 4.544 40 0 JJABMM O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020060847 555623676 /nfs/dbraw/zinc/62/36/76/555623676.db2.gz NUZXXMAPLZUSBQ-UHFFFAOYSA-N -1 1 495.782 4.921 40 0 JJABMM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 ZINC000010112342 555625257 /nfs/dbraw/zinc/62/52/57/555625257.db2.gz VCPDTYMLXPNOEK-UHFFFAOYSA-N -1 1 466.559 4.842 40 0 JJABMM CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000010112410 555625742 /nfs/dbraw/zinc/62/57/42/555625742.db2.gz DRJAWNOAHHHKKR-UHFFFAOYSA-N -1 1 452.576 4.741 40 0 JJABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000020112332 555649630 /nfs/dbraw/zinc/64/96/30/555649630.db2.gz PRJUKQFJXAWAAX-LJQANCHMSA-N -1 1 452.576 4.994 40 0 JJABMM Cc1ccc(CSCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010314286 555679556 /nfs/dbraw/zinc/67/95/56/555679556.db2.gz GUWOPNXYIQPZCZ-UHFFFAOYSA-N -1 1 454.617 4.767 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSc3ccc(Cl)cc3)c2)cc1 ZINC000010314178 555679570 /nfs/dbraw/zinc/67/95/70/555679570.db2.gz SNPYDFYYVQTZHH-UHFFFAOYSA-N -1 1 461.008 4.971 40 0 JJABMM CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010314180 555679613 /nfs/dbraw/zinc/67/96/13/555679613.db2.gz SDGYZAMMOIHBFH-UHFFFAOYSA-N -1 1 465.575 4.530 40 0 JJABMM Cc1ccc(CSCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000010314305 555679890 /nfs/dbraw/zinc/67/98/90/555679890.db2.gz CAZPTLAOLXKSKC-UHFFFAOYSA-N -1 1 454.617 4.767 40 0 JJABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000010314471 555680149 /nfs/dbraw/zinc/68/01/49/555680149.db2.gz RCJWYVOJVVZMNS-UHFFFAOYSA-N -1 1 465.575 4.576 40 0 JJABMM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010314904 555680801 /nfs/dbraw/zinc/68/08/01/555680801.db2.gz POTHFRDXRBIIMV-GOSISDBHSA-N -1 1 465.575 4.576 40 0 JJABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCSc1ccc(Cl)cc1 ZINC000010314860 555680961 /nfs/dbraw/zinc/68/09/61/555680961.db2.gz LJYITEWBZYKUEJ-UHFFFAOYSA-N -1 1 461.008 4.971 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NCC(C)C)cc2C)cc1 ZINC000010315276 555681902 /nfs/dbraw/zinc/68/19/02/555681902.db2.gz XKRYVZLNKKDPAJ-UHFFFAOYSA-N -1 1 479.602 4.742 40 0 JJABMM Cc1ccc(SCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000010335635 555690767 /nfs/dbraw/zinc/69/07/67/555690767.db2.gz JYJWADJSYVLJFX-UHFFFAOYSA-N -1 1 454.617 4.935 40 0 JJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2C)c1 ZINC000014154058 555710754 /nfs/dbraw/zinc/71/07/54/555710754.db2.gz ZMQREOKFULFULY-UHFFFAOYSA-N -1 1 481.593 4.514 40 0 JJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSc3ccccc3)ccc2C)c1 ZINC000014155340 555713305 /nfs/dbraw/zinc/71/33/05/555713305.db2.gz YHEOICDKWSOUSL-UHFFFAOYSA-N -1 1 454.617 4.935 40 0 JJABMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000014405032 555807378 /nfs/dbraw/zinc/80/73/78/555807378.db2.gz DRWJMWMWZZIEJX-UHFFFAOYSA-N -1 1 460.559 4.851 40 0 JJABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1ccc(Cl)nc1 ZINC000022110326 555877176 /nfs/dbraw/zinc/87/71/76/555877176.db2.gz ADZOZRFRWJFQHJ-UHFFFAOYSA-N -1 1 453.955 4.987 40 0 JJABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000012482645 555986104 /nfs/dbraw/zinc/98/61/04/555986104.db2.gz SYFYQNUBGSUTDF-UHFFFAOYSA-N -1 1 450.969 4.558 40 0 JJABMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000026111017 556242912 /nfs/dbraw/zinc/24/29/12/556242912.db2.gz PPSWLRLHZYUHFM-UHFFFAOYSA-N -1 1 477.435 4.500 40 0 JJABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(=O)N1CCCCCC1 ZINC000026119654 556248441 /nfs/dbraw/zinc/24/84/41/556248441.db2.gz NKBCTRLOPSHFAU-UHFFFAOYSA-N -1 1 483.453 4.988 40 0 JJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(=O)N1CCCCCC1 ZINC000026119660 556248531 /nfs/dbraw/zinc/24/85/31/556248531.db2.gz MFJRIGOXAYWMQG-UHFFFAOYSA-N -1 1 483.453 4.988 40 0 JJABMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1Cl ZINC000028207014 556317733 /nfs/dbraw/zinc/31/77/33/556317733.db2.gz GWHJBGQRTWEXLA-HNNXBMFYSA-N -1 1 456.951 4.741 40 0 JJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2C)c1 ZINC000030573113 556367389 /nfs/dbraw/zinc/36/73/89/556367389.db2.gz CKDKYDRUHMCKFZ-UHFFFAOYSA-N -1 1 484.021 4.720 40 0 JJABMM O=C(NCCSC1CCCCC1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000030867762 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ZWDOXYLMGHJFJH-KRWDZBQOSA-N -1 1 488.993 4.655 40 0 JJABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000020492680 525112531 /nfs/dbraw/zinc/11/25/31/525112531.db2.gz IRXDLKQNUXYWED-QGZVFWFLSA-N -1 1 456.589 4.924 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(OC(C)C)cc3)c2C)cc1 ZINC000044900684 525611274 /nfs/dbraw/zinc/61/12/74/525611274.db2.gz CMDMJXOXDUYOBX-UHFFFAOYSA-N -1 1 452.576 4.821 40 0 JJABMM O=C(NCCSCc1ccccc1F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020459307 526373779 /nfs/dbraw/zinc/37/37/79/526373779.db2.gz IXXRIWNEDOJJKQ-UHFFFAOYSA-N -1 1 478.998 4.943 40 0 JJABMM O=C(Cc1sc(Nc2ccc(Br)cc2)nc1[O-])Nc1ccc(Br)cc1 ZINC000016754280 527146001 /nfs/dbraw/zinc/14/60/01/527146001.db2.gz WYSRSRXADVLRBU-AWEZNQCLSA-N -1 1 483.185 4.650 40 0 JJABMM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1 ZINC000008768445 554668912 /nfs/dbraw/zinc/66/89/12/554668912.db2.gz JUSZSBMTAKZIPZ-ZNZIZOMTSA-N -1 1 450.494 4.900 40 0 JJABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)cc3[O-])oc2c(C)c1 ZINC000008833343 554730798 /nfs/dbraw/zinc/73/07/98/554730798.db2.gz PTHXJRPCKQJNGP-UHFFFAOYSA-N -1 1 475.526 4.715 40 0 JJABMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCc3ccccc3Cl)c(OC)c1)CC(=O)N2 ZINC000013567335 555504735 /nfs/dbraw/zinc/50/47/35/555504735.db2.gz DNBAWASJONHGFW-HNNXBMFYSA-N -1 1 471.966 4.597 40 0 JJABMM Cc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c(=O)c1Cc1cccc(Cl)c1 ZINC000013611830 555534371 /nfs/dbraw/zinc/53/43/71/555534371.db2.gz CLMKXEBLOVBCPP-UHFFFAOYSA-N -1 1 462.903 4.668 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1 ZINC000013632360 555542229 /nfs/dbraw/zinc/54/22/29/555542229.db2.gz PWMWEDXDPRSYAX-UHFFFAOYSA-N -1 1 466.559 4.842 40 0 JJABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000013682460 555575897 /nfs/dbraw/zinc/57/58/97/555575897.db2.gz FQIGSMBATRAGAQ-UHFFFAOYSA-N -1 1 489.553 4.571 40 0 JJABMM COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1OC ZINC000020024283 555602390 /nfs/dbraw/zinc/60/23/90/555602390.db2.gz WGSWWNABGOCBMZ-IBGZPJMESA-N -1 1 482.602 4.623 40 0 JJABMM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020035381 555609881 /nfs/dbraw/zinc/60/98/81/555609881.db2.gz MZWFOILDAMYQGR-INIZCTEOSA-N -1 1 485.993 4.921 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)c(Cl)c2)cc1 ZINC000020042947 555614730 /nfs/dbraw/zinc/61/47/30/555614730.db2.gz NHSNHRLWEYBQFQ-UHFFFAOYSA-N -1 1 480.977 4.565 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010112268 555625309 /nfs/dbraw/zinc/62/53/09/555625309.db2.gz WWZSMESCSVCTSL-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000010112409 555625688 /nfs/dbraw/zinc/62/56/88/555625688.db2.gz KEUBKIMDDUMEDY-UHFFFAOYSA-N -1 1 452.576 4.741 40 0 JJABMM CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1 ZINC000020104600 555637159 /nfs/dbraw/zinc/63/71/59/555637159.db2.gz KNTZZQDIUSJSTJ-UHFFFAOYSA-N -1 1 452.576 4.741 40 0 JJABMM O=c1cc(COc2ccc(Cl)cc2Cl)[nH]c2nn(-c3nc4ccccc4s3)c([O-])c21 ZINC000010152701 555637361 /nfs/dbraw/zinc/63/73/61/555637361.db2.gz KUPYFPWPWSZTLZ-UHFFFAOYSA-N -1 1 459.314 4.503 40 0 JJABMM O=c1c2c([O-])cc(COc3ccc(Cl)cc3Cl)[nH]c-2nn1-c1nc2ccccc2s1 ZINC000010152701 555637365 /nfs/dbraw/zinc/63/73/65/555637365.db2.gz KUPYFPWPWSZTLZ-UHFFFAOYSA-N -1 1 459.314 4.503 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2C)cc1 ZINC000020104777 555637425 /nfs/dbraw/zinc/63/74/25/555637425.db2.gz DMZRHUDXRHVAPF-UHFFFAOYSA-N -1 1 452.576 4.821 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1Cl ZINC000020105680 555639288 /nfs/dbraw/zinc/63/92/88/555639288.db2.gz PSAJRJGGUWCMIE-UHFFFAOYSA-N -1 1 472.950 4.878 40 0 JJABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1OC ZINC000020106195 555640078 /nfs/dbraw/zinc/64/00/78/555640078.db2.gz NIJYKSRJWDYRDA-UHFFFAOYSA-N -1 1 493.006 4.889 40 0 JJABMM COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1OC ZINC000020110183 555646224 /nfs/dbraw/zinc/64/62/24/555646224.db2.gz ZNBVAJQJSZYMCV-IBGZPJMESA-N -1 1 482.602 4.921 40 0 JJABMM COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1OC ZINC000020110182 555646288 /nfs/dbraw/zinc/64/62/88/555646288.db2.gz ZNBVAJQJSZYMCV-LJQANCHMSA-N -1 1 482.602 4.921 40 0 JJABMM COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1OC ZINC000020110432 555646602 /nfs/dbraw/zinc/64/66/02/555646602.db2.gz OYSGKIJWTSLFSG-LJQANCHMSA-N -1 1 482.602 4.921 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1C ZINC000020111402 555648222 /nfs/dbraw/zinc/64/82/22/555648222.db2.gz IHIKKCMBIUQKFX-UHFFFAOYSA-N -1 1 472.950 4.878 40 0 JJABMM CCCCNC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010315008 555681351 /nfs/dbraw/zinc/68/13/51/555681351.db2.gz FIFULETYRMRUBF-UHFFFAOYSA-N -1 1 479.602 4.886 40 0 JJABMM O=C(NCCSCc1cccc(Cl)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314929 555681356 /nfs/dbraw/zinc/68/13/56/555681356.db2.gz GKHRPWDFLUQLMR-UHFFFAOYSA-N -1 1 461.008 4.804 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccccc3C)c2)cc1 ZINC000010315059 555681658 /nfs/dbraw/zinc/68/16/58/555681658.db2.gz OVOBWMZABZPUGQ-UHFFFAOYSA-N -1 1 454.617 4.767 40 0 JJABMM Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010334697 555689763 /nfs/dbraw/zinc/68/97/63/555689763.db2.gz RSSNLLWLRXDMAI-UHFFFAOYSA-N -1 1 499.592 4.978 40 0 JJABMM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000014400627 555806168 /nfs/dbraw/zinc/80/61/68/555806168.db2.gz UEPYQCMQNCFEMW-HSZRJFAPSA-N -1 1 454.548 4.601 40 0 JJABMM CCOc1cc(CNn2cn[n-]c2=S)cc(Br)c1OCc1ccc(F)cc1 ZINC000022111805 555878869 /nfs/dbraw/zinc/87/88/69/555878869.db2.gz LGMHHCYABDHHRM-UHFFFAOYSA-N -1 1 453.337 4.564 40 0 JJABMM COc1cc(CNn2c(C)n[n-]c2=S)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022112310 555879151 /nfs/dbraw/zinc/87/91/51/555879151.db2.gz LSUWIIZDMGWQFS-UHFFFAOYSA-N -1 1 469.792 4.996 40 0 JJABMM COc1cc(CNn2c(C)n[n-]c2=S)cc(Br)c1OCc1ccccc1Cl ZINC000022112314 555879161 /nfs/dbraw/zinc/87/91/61/555879161.db2.gz UIODQWLEJIROCO-UHFFFAOYSA-N -1 1 469.792 4.996 40 0 JJABMM CCOc1cc(CNn2c(C)n[n-]c2=S)cc(Br)c1OCc1ccc(F)cc1 ZINC000022112371 555879172 /nfs/dbraw/zinc/87/91/72/555879172.db2.gz YEPJXEVUBPDFQM-UHFFFAOYSA-N -1 1 467.364 4.872 40 0 JJABMM CCOc1cc(CNn2c(C)n[n-]c2=S)cc(Br)c1OCc1ccccc1F ZINC000022112379 555879195 /nfs/dbraw/zinc/87/91/95/555879195.db2.gz RILRHIRWMYFDEA-UHFFFAOYSA-N -1 1 467.364 4.872 40 0 JJABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)NC(C)C)c3)ccc21 ZINC000026112414 556243877 /nfs/dbraw/zinc/24/38/77/556243877.db2.gz QZQGOZHYJIKKHO-UHFFFAOYSA-N -1 1 465.575 4.762 40 0 JJABMM CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000017723198 556264598 /nfs/dbraw/zinc/26/45/98/556264598.db2.gz GSABNNPPGFSLPR-DSITVLBTSA-N -1 1 458.514 4.535 40 0 JJABMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1Cl ZINC000028207016 556317712 /nfs/dbraw/zinc/31/77/12/556317712.db2.gz GWHJBGQRTWEXLA-OAHLLOKOSA-N -1 1 456.951 4.741 40 0 JJABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(OC(C)C)cc2)ccc1C ZINC000030751123 556370872 /nfs/dbraw/zinc/37/08/72/556370872.db2.gz HRJQQDJTZKONAU-UHFFFAOYSA-N -1 1 452.576 4.821 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c(Cl)c1 ZINC000030849103 556376589 /nfs/dbraw/zinc/37/65/89/556376589.db2.gz FDERNXKXUXJZFN-UHFFFAOYSA-N -1 1 472.950 4.878 40 0 JJABMM COc1ccc(OC[C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000030861654 556381970 /nfs/dbraw/zinc/38/19/70/556381970.db2.gz IAGVWAGTQOPLRU-QGZVFWFLSA-N -1 1 488.993 4.655 40 0 JJABMM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)cc1 ZINC000030864551 556382911 /nfs/dbraw/zinc/38/29/11/556382911.db2.gz DZKMGNBUJCOKFF-UHFFFAOYSA-N -1 1 451.544 4.787 40 0 JJABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000030870511 556384727 /nfs/dbraw/zinc/38/47/27/556384727.db2.gz JRZJDCURTXEODH-LJQANCHMSA-N -1 1 452.576 4.994 40 0 JJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC3(c4ccccc4)CCOCC3)ccc2C)cc1 ZINC000031934320 556411096 /nfs/dbraw/zinc/41/10/96/556411096.db2.gz MKOCCHGWHKZHCB-UHFFFAOYSA-N -1 1 478.614 4.582 40 0 JJABMM CC1=C[C@@H](CNC(=O)CC2(CC(=O)[O-])CCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccncc2[nH]1 ZINC000072320919 560077098 /nfs/dbraw/zinc/07/70/98/560077098.db2.gz QRCDOYVPNIBFPM-ACRUOGEOSA-N -1 1 466.626 4.896 40 0 biogenic,in-vitro JJABMM CC1=C[C@@H](CNC(=O)CC2(CC(=O)[O-])CCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 ZINC000072320919 560077100 /nfs/dbraw/zinc/07/71/00/560077100.db2.gz QRCDOYVPNIBFPM-ACRUOGEOSA-N -1 1 466.626 4.896 40 0 biogenic,in-vitro JJABMM COc1ccc(C(=O)c2[n-]n(-c3ccccc3)c3c(O)n(-c4cc(Cl)ccc4Cl)c(=O)c2-3)cc1 ZINC000100354637 569757902 /nfs/dbraw/zinc/75/79/02/569757902.db2.gz BAEKZKFUOAAURM-RBBKRZOGSA-N -1 1 494.334 4.619 40 0 JJABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(O)cc1 ZINC000100365887 569758038 /nfs/dbraw/zinc/75/80/38/569758038.db2.gz FEDLSHBWLAKPSA-XMGLRAKGSA-N -1 1 452.514 4.554 40 0 JJABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(N(C)C)cc1 ZINC000100950185 569777669 /nfs/dbraw/zinc/77/76/69/569777669.db2.gz GFJGTYUEQMWVCP-UIOOFZCWSA-N -1 1 479.584 4.914 40 0 JJABMM COc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000038756699 569807366 /nfs/dbraw/zinc/80/73/66/569807366.db2.gz YUUSYUPVCSWQAK-UHFFFAOYSA-N -1 1 472.994 4.820 40 0 JJABMM Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400317 569827681 /nfs/dbraw/zinc/82/76/81/569827681.db2.gz IHEJAQMTHAFPIM-ZDUSSCGKSA-N -1 1 491.857 4.559 40 0 JJABMM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000216447195 569878927 /nfs/dbraw/zinc/87/89/27/569878927.db2.gz ZWTWQIFUYGTYCU-OAHLLOKOSA-N -1 1 494.491 4.921 40 0 JJABMM COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1OC ZINC000216457861 569878991 /nfs/dbraw/zinc/87/89/91/569878991.db2.gz IJCZEGCQOGSQJB-GOSISDBHSA-N -1 1 468.575 4.612 40 0 JJABMM COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Br)c(Cl)c1[O-] ZINC000222589985 569886504 /nfs/dbraw/zinc/88/65/04/569886504.db2.gz LBZKSLJSEJVOOC-RWJJJZRFSA-N -1 1 454.777 4.801 40 0 JJABMM COc1ccc(OC)c([C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000222818257 569891886 /nfs/dbraw/zinc/89/18/86/569891886.db2.gz AOLQUFMRIUDXEV-MRXNPFEDSA-N -1 1 488.993 4.957 40 0 JJABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1Cl ZINC000223009511 569896726 /nfs/dbraw/zinc/89/67/26/569896726.db2.gz HRALNJBOKSUJFU-UHFFFAOYSA-N -1 1 486.977 4.751 40 0 JJABMM Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000223689437 569920061 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1 452.576 4.530 40 0 JJABMM Cc1ccc(C)c(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1 ZINC000224001484 569930038 /nfs/dbraw/zinc/93/00/38/569930038.db2.gz ACZDYJZZXFMCHK-UHFFFAOYSA-N -1 1 466.603 4.838 40 0 JJABMM Cc1ccc(C)c(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1 ZINC000224001632 569930044 /nfs/dbraw/zinc/93/00/44/569930044.db2.gz ZNEKNVAUNCREOG-UHFFFAOYSA-N -1 1 466.603 4.838 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCOc3cc(C)ccc3C)c2)cc1 ZINC000224023093 569930921 /nfs/dbraw/zinc/93/09/21/569930921.db2.gz OFOSRLJJNGWJIL-UHFFFAOYSA-N -1 1 472.994 4.875 40 0 JJABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000224041907 569931535 /nfs/dbraw/zinc/93/15/35/569931535.db2.gz JDSIQNPZJPYPQP-UHFFFAOYSA-N -1 1 450.438 4.767 40 0 JJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cc(C)cc(C)c3)ccc2C)cc1 ZINC000224073257 569932461 /nfs/dbraw/zinc/93/24/61/569932461.db2.gz FJUXPZUECYVZRK-UHFFFAOYSA-N -1 1 452.576 4.530 40 0 JJABMM 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CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408547685 570193762 /nfs/dbraw/zinc/19/37/62/570193762.db2.gz LFYCYTFHSOTPHJ-SFHVURJKSA-N -1 1 465.575 4.576 40 0 JJABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408552565 570195524 /nfs/dbraw/zinc/19/55/24/570195524.db2.gz QWTHWGHJJXAQJG-UHFFFAOYSA-N -1 1 458.923 4.604 40 0 JJABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408552599 570195545 /nfs/dbraw/zinc/19/55/45/570195545.db2.gz RHCWWKKKBPVNSY-UHFFFAOYSA-N -1 1 458.923 4.604 40 0 JJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NCCc1ccccc1 ZINC000408553173 570195794 /nfs/dbraw/zinc/19/57/94/570195794.db2.gz ORIKVYAVCMSTNZ-UHFFFAOYSA-N -1 1 479.385 4.532 40 0 JJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1CCCCCC1 ZINC000408584799 570207726 /nfs/dbraw/zinc/20/77/26/570207726.db2.gz VHKXOCUAKTVKMC-UHFFFAOYSA-N -1 1 452.374 4.658 40 0 JJABMM CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl 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ZINC000013668705 555557779 /nfs/dbraw/zinc/55/77/79/555557779.db2.gz ACQLQHGHTNXHQM-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1 ZINC000013673840 555565241 /nfs/dbraw/zinc/56/52/41/555565241.db2.gz GEOJPDXKHDVLAW-UHFFFAOYSA-N -1 1 452.576 4.741 40 0 JJABMM COc1cc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)ccc1OC(C)C ZINC000013674044 555565489 /nfs/dbraw/zinc/56/54/89/555565489.db2.gz YXZVPLJBMHWAJM-UHFFFAOYSA-N -1 1 468.575 4.522 40 0 JJABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1C ZINC000013674691 555566046 /nfs/dbraw/zinc/56/60/46/555566046.db2.gz WUAQPBLEFHPTQQ-UHFFFAOYSA-N -1 1 466.559 4.842 40 0 JJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccc(F)c(F)c1F ZINC000020023115 555600956 /nfs/dbraw/zinc/60/09/56/555600956.db2.gz KIEHWYDQFUTGPX-UHFFFAOYSA-N -1 1 470.856 4.576 40 0 JJABMM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OC ZINC000020025268 555603430 /nfs/dbraw/zinc/60/34/30/555603430.db2.gz YDULHDLIUPPAJQ-UHFFFAOYSA-N -1 1 470.391 4.882 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)c(Cl)c2)cc1 ZINC000020037351 555611612 /nfs/dbraw/zinc/61/16/12/555611612.db2.gz GKOLDVISKVBESQ-UHFFFAOYSA-N -1 1 498.004 4.938 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000020038342 555612148 /nfs/dbraw/zinc/61/21/48/555612148.db2.gz CZPUFZRLBPQQGH-UHFFFAOYSA-N -1 1 460.958 4.951 40 0 JJABMM CCOc1ccccc1CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010111039 555621831 /nfs/dbraw/zinc/62/18/31/555621831.db2.gz HQRPCHSNKXFCAG-UHFFFAOYSA-N -1 1 452.576 4.557 40 0 JJABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c(C)c1 ZINC000010112355 555625352 /nfs/dbraw/zinc/62/53/52/555625352.db2.gz XEIQSUAPJVYPAT-UHFFFAOYSA-N -1 1 452.532 4.533 40 0 JJABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(OC)cc1 ZINC000020104424 555636750 /nfs/dbraw/zinc/63/67/50/555636750.db2.gz SKZAXNISJQQHEL-QHCPKHFHSA-N -1 1 452.576 4.994 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c(Cl)c2)cc1 ZINC000020104946 555637779 /nfs/dbraw/zinc/63/77/79/555637779.db2.gz SBWQHVMQVDRTSA-UHFFFAOYSA-N -1 1 483.977 4.828 40 0 JJABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1OC ZINC000020107609 555641539 /nfs/dbraw/zinc/64/15/39/555641539.db2.gz PLALYXUCGAGFFU-QGZVFWFLSA-N -1 1 486.615 4.932 40 0 JJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000020108493 555643437 /nfs/dbraw/zinc/64/34/37/555643437.db2.gz NNUAMPLOMATIGE-UHFFFAOYSA-N -1 1 483.977 4.516 40 0 JJABMM COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1OC ZINC000020111903 555649027 /nfs/dbraw/zinc/64/90/27/555649027.db2.gz ACZPXZWGIFVOCY-SFHVURJKSA-N -1 1 468.575 4.612 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccccc3)c2C)cc1 ZINC000010314337 555679845 /nfs/dbraw/zinc/67/98/45/555679845.db2.gz ZFSKGXDOITWEAF-UHFFFAOYSA-N -1 1 454.617 4.767 40 0 JJABMM CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010314681 555680450 /nfs/dbraw/zinc/68/04/50/555680450.db2.gz YRLOORMNMGJCMQ-UHFFFAOYSA-N -1 1 465.575 4.530 40 0 JJABMM Cc1ccccc1CSCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010314629 555680549 /nfs/dbraw/zinc/68/05/49/555680549.db2.gz CMIBFDZNBJPANQ-UHFFFAOYSA-N -1 1 454.617 4.767 40 0 JJABMM CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314722 555680908 /nfs/dbraw/zinc/68/09/08/555680908.db2.gz WEMJVCXHQRIAKS-UHFFFAOYSA-N -1 1 465.575 4.530 40 0 JJABMM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010360741 555696778 /nfs/dbraw/zinc/69/67/78/555696778.db2.gz GHSNIUSEYXDOGN-GOSISDBHSA-N -1 1 465.575 4.576 40 0 JJABMM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010361032 555696831 /nfs/dbraw/zinc/69/68/31/555696831.db2.gz HZNBHKSQVITIAK-IBGZPJMESA-N -1 1 479.602 4.885 40 0 JJABMM Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010366741 555698199 /nfs/dbraw/zinc/69/81/99/555698199.db2.gz JVXZLGMKWPMMMU-UHFFFAOYSA-N -1 1 463.328 4.950 40 0 JJABMM CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000014153300 555709126 /nfs/dbraw/zinc/70/91/26/555709126.db2.gz LEWQVDRHCFJDFH-UHFFFAOYSA-N -1 1 479.602 4.805 40 0 JJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCC(C)C)ccc2C)cc1 ZINC000014155891 555714756 /nfs/dbraw/zinc/71/47/56/555714756.db2.gz HKGHQVFUYGWNCK-UHFFFAOYSA-N -1 1 479.602 4.742 40 0 JJABMM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000014398944 555804602 /nfs/dbraw/zinc/80/46/02/555804602.db2.gz ZIWUXMHNPUHDON-UHFFFAOYSA-N -1 1 454.548 4.602 40 0 JJABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)cc(Br)c1OCC ZINC000022109956 555876950 /nfs/dbraw/zinc/87/69/50/555876950.db2.gz XTVMXRRMJPOEFP-UHFFFAOYSA-N -1 1 450.200 4.561 40 0 JJABMM CCOc1cc(CNn2c(CC)n[n-]c2=S)cc(Br)c1OCc1ccccc1 ZINC000022110410 555877325 /nfs/dbraw/zinc/87/73/25/555877325.db2.gz XMHYTDXSJHOIJE-UHFFFAOYSA-N -1 1 463.401 4.987 40 0 JJABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000022111260 555878592 /nfs/dbraw/zinc/87/85/92/555878592.db2.gz GGFSXYFVQCQPDY-UHFFFAOYSA-N -1 1 483.981 4.996 40 0 JJABMM CCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022523998 555931291 /nfs/dbraw/zinc/93/12/91/555931291.db2.gz XSBRWWOHPJEHAQ-UHFFFAOYSA-N -1 1 485.993 4.841 40 0 JJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)c1ccc(C)cc1 ZINC000015892488 556061080 /nfs/dbraw/zinc/06/10/80/556061080.db2.gz XTQLSJGGRCOJIL-UHFFFAOYSA-N -1 1 475.364 4.819 40 0 JJABMM CSc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)c1 ZINC000026120207 556248809 /nfs/dbraw/zinc/24/88/09/556248809.db2.gz QUMPGLGASPJSTB-UHFFFAOYSA-N -1 1 450.651 4.947 40 0 JJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)ccc2C)c1 ZINC000027916971 556310236 /nfs/dbraw/zinc/31/02/36/556310236.db2.gz PZYCCLBNGNVYIS-UHFFFAOYSA-N -1 1 491.613 4.983 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(S[C@@H](C)C(=O)Nc4nccs4)sc3c2)cc1 ZINC000059489649 569605693 /nfs/dbraw/zinc/60/56/93/569605693.db2.gz KIXQERMWABGFNN-ZDUSSCGKSA-N -1 1 490.657 4.981 40 0 JJABMM C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+]([C@H](C(=O)[O-])c1cn(CCC(=O)[O-])c3cc(Br)ccc13)C2 ZINC000036358545 569772244 /nfs/dbraw/zinc/77/22/44/569772244.db2.gz PULQQBRBNIFQQV-ZNRXUEPQSA-N -1 1 477.399 4.905 40 0 JJABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(N(C)C)cc1 ZINC000100950187 569777759 /nfs/dbraw/zinc/77/77/59/569777759.db2.gz GFJGTYUEQMWVCP-ZVBBVAIHSA-N -1 1 479.584 4.914 40 0 JJABMM CC(C)CNC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000038753622 569806609 /nfs/dbraw/zinc/80/66/09/569806609.db2.gz DBLYACMBNQMZGV-UHFFFAOYSA-N -1 1 485.993 4.779 40 0 JJABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccc(OC)cc1 ZINC000038753926 569806633 /nfs/dbraw/zinc/80/66/33/569806633.db2.gz POPUJCIQRCXJSX-HSZRJFAPSA-N -1 1 452.576 4.994 40 0 JJABMM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000038756662 569807347 /nfs/dbraw/zinc/80/73/47/569807347.db2.gz PJUUQXNSPOSCLU-QHCPKHFHSA-N -1 1 454.548 4.601 40 0 JJABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000038771429 569807508 /nfs/dbraw/zinc/80/75/08/569807508.db2.gz JLYKFSDTZKBFOC-KRWDZBQOSA-N -1 1 456.589 4.924 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1 ZINC000039760848 569811660 /nfs/dbraw/zinc/81/16/60/569811660.db2.gz UFLPYODSPRUGGJ-UHFFFAOYSA-N -1 1 450.545 4.567 40 0 JJABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(Oc4ccccc4)cc2)CC(=O)N3)cc1 ZINC000040400425 569827494 /nfs/dbraw/zinc/82/74/94/569827494.db2.gz VRUKMFIDTZYXEV-OAQYLSRUSA-N -1 1 481.512 4.679 40 0 JJABMM COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)c(F)c1F ZINC000104120153 569841252 /nfs/dbraw/zinc/84/12/52/569841252.db2.gz ZRNWCPAAODTWMQ-UHFFFAOYSA-N -1 1 491.422 4.892 40 0 JJABMM COC(=O)c1cn(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c2ccccc12 ZINC000222594137 569886539 /nfs/dbraw/zinc/88/65/39/569886539.db2.gz KPKYYPMVBMEUEZ-UHFFFAOYSA-N -1 1 476.554 4.842 40 0 JJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)ccc2C)c1 ZINC000222681991 569888366 /nfs/dbraw/zinc/88/83/66/569888366.db2.gz RHFGTANLBSNVAX-IBGZPJMESA-N -1 1 480.586 4.675 40 0 JJABMM COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000222839841 569892400 /nfs/dbraw/zinc/89/24/00/569892400.db2.gz JRZIJSMMOSHEJU-UHFFFAOYSA-N -1 1 495.384 4.845 40 0 JJABMM COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000223185661 569902683 /nfs/dbraw/zinc/90/26/83/569902683.db2.gz ITKHVNSANGBRGU-GOSISDBHSA-N -1 1 468.575 4.612 40 0 JJABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000223345734 569908095 /nfs/dbraw/zinc/90/80/95/569908095.db2.gz QANDJUHRQZVUGJ-UHFFFAOYSA-N -1 1 466.559 4.824 40 0 JJABMM 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569927878 /nfs/dbraw/zinc/92/78/78/569927878.db2.gz RPTLXSOACNGTBE-UHFFFAOYSA-N -1 1 458.967 4.566 40 0 JJABMM Cc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1 ZINC000223950152 569928141 /nfs/dbraw/zinc/92/81/41/569928141.db2.gz OLOHKMXZWVHWAN-UHFFFAOYSA-N -1 1 452.576 4.530 40 0 JJABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(Cl)cc3)ccc2C)c1 ZINC000223949876 569928165 /nfs/dbraw/zinc/92/81/65/569928165.db2.gz YWIJIYLQPUOBES-UHFFFAOYSA-N -1 1 472.994 4.875 40 0 JJABMM Cc1ccc(C)c(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1 ZINC000224001561 569930019 /nfs/dbraw/zinc/93/00/19/569930019.db2.gz DBSHQLWTWKYHLY-UHFFFAOYSA-N -1 1 466.603 4.838 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000224075686 569932512 /nfs/dbraw/zinc/93/25/12/569932512.db2.gz VYKUXPIEFCUOHA-UHFFFAOYSA-N -1 1 466.603 4.902 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3ccc(C)cc3C)c2C)cc1 ZINC000224081454 569932708 /nfs/dbraw/zinc/93/27/08/569932708.db2.gz 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O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000044839556 527223807 /nfs/dbraw/zinc/22/38/07/527223807.db2.gz FYJKXQOLXWLGGX-UHFFFAOYSA-N -1 1 469.950 4.520 40 0 JJABMM O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000030849817 527407263 /nfs/dbraw/zinc/40/72/63/527407263.db2.gz NVEYMXPBSGBBPL-UHFFFAOYSA-N -1 1 483.977 4.629 40 0 JJABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1 ZINC000008810761 554691524 /nfs/dbraw/zinc/69/15/24/554691524.db2.gz DOGFLGFVCSXUBO-UHFFFAOYSA-N -1 1 488.512 4.975 40 0 JJABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4c(OC)cccc4OC)cc3[O-])nc2c1 ZINC000008835150 554733525 /nfs/dbraw/zinc/73/35/25/554733525.db2.gz CCRPAFLQIYEMOT-UHFFFAOYSA-N -1 1 477.542 4.907 40 0 JJABMM O=C1N[C@@H](c2ccc(-c3ccc(F)cc3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915324 554808829 /nfs/dbraw/zinc/80/88/29/554808829.db2.gz PQOJUFIDPPNRJJ-LQWHRVPQSA-N -1 1 482.817 4.843 40 0 JJABMM 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O=c1sc2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)ccc2n1Cc1ccccc1Cl ZINC000225801303 570022340 /nfs/dbraw/zinc/02/23/40/570022340.db2.gz MKINAONPPBMRGF-UHFFFAOYSA-N -1 1 466.918 4.844 40 0 JJABMM COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000225866337 570025654 /nfs/dbraw/zinc/02/56/54/570025654.db2.gz CKHNTMIADYWRTF-LJQANCHMSA-N -1 1 482.602 4.921 40 0 JJABMM CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc1)C2=O ZINC000408722218 570027155 /nfs/dbraw/zinc/02/71/55/570027155.db2.gz RLUJDNGHXFSCJJ-PGRDOPGGSA-N -1 1 491.407 4.566 40 0 JJABMM O=C([O-])c1ccc(-c2ccc(Br)cc2NS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000226353638 570037620 /nfs/dbraw/zinc/03/76/20/570037620.db2.gz BVCNOPULUWRQJC-UHFFFAOYSA-N -1 1 456.701 4.862 40 0 JJABMM C=C1N=C(SCc2cccc(C(=O)[O-])c2)N[C@H](c2ccc(SC)cc2)C1C(=O)OCC ZINC000408882404 570063305 /nfs/dbraw/zinc/06/33/05/570063305.db2.gz PTWRBHUFVICBQX-HXUWFJFHSA-N -1 1 456.589 4.878 40 0 JJABMM Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408912709 570073631 /nfs/dbraw/zinc/07/36/31/570073631.db2.gz RADGXVLATCOENA-UHFFFAOYSA-N -1 1 464.465 4.832 40 0 JJABMM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1OC ZINC000408923916 570077967 /nfs/dbraw/zinc/07/79/67/570077967.db2.gz HZWNCYTVNNJESC-UHFFFAOYSA-N -1 1 476.554 4.839 40 0 JJABMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1OC ZINC000408925209 570078291 /nfs/dbraw/zinc/07/82/91/570078291.db2.gz NPAHMNMXSGIORP-UHFFFAOYSA-N -1 1 480.464 4.776 40 0 JJABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000408925224 570078312 /nfs/dbraw/zinc/07/83/12/570078312.db2.gz NTVLXBGRXQLZNT-SYZQJQIISA-N -1 1 487.375 4.910 40 0 JJABMM CC(C)[C@H]1C[C@@H]2CN(CC(=O)Nc3cccc(C(=O)[O-])c3)CC[C@@H]2O[C@@H]1c1ccc(F)cc1 ZINC000257217956 570113469 /nfs/dbraw/zinc/11/34/69/570113469.db2.gz DBHNLJYGMCIWHG-CDLYNWKESA-N -1 1 454.542 4.587 40 0 JJABMM Cc1n[nH]c(SC(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C(=O)[O-])n1 ZINC000409193054 570162629 /nfs/dbraw/zinc/16/26/29/570162629.db2.gz HOJVWAJRZCWDCV-MFOYZWKCSA-N -1 1 464.316 4.812 40 0 JJABMM Cc1nc(SC(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C(=O)[O-])n[nH]1 ZINC000409193054 570162630 /nfs/dbraw/zinc/16/26/30/570162630.db2.gz HOJVWAJRZCWDCV-MFOYZWKCSA-N -1 1 464.316 4.812 40 0 JJABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409219418 570173801 /nfs/dbraw/zinc/17/38/01/570173801.db2.gz QIEYCPASONKVRU-GIDUJCDVSA-N -1 1 485.718 4.622 40 0 JJABMM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OS(=O)(=O)c1cccc2ccccc21 ZINC000409258467 570187227 /nfs/dbraw/zinc/18/72/27/570187227.db2.gz XQTJQIYVLZEGMC-UHFFFAOYSA-N -1 1 458.495 4.932 40 0 JJABMM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000408544097 570192273 /nfs/dbraw/zinc/19/22/73/570192273.db2.gz HGUNAAGPCFXQFL-UHFFFAOYSA-N -1 1 472.950 4.797 40 0 JJABMM COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1 ZINC000408549384 570194625 /nfs/dbraw/zinc/19/46/25/570194625.db2.gz YRNPADDMTUYWIU-UHFFFAOYSA-N -1 1 466.559 4.760 40 0 JJABMM COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)ccc1Cl ZINC000408549517 570194643 /nfs/dbraw/zinc/19/46/43/570194643.db2.gz ZHANKVVNXMXXEV-UHFFFAOYSA-N -1 1 472.950 4.797 40 0 JJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(=O)NC1CCCCC1 ZINC000408552514 570195516 /nfs/dbraw/zinc/19/55/16/570195516.db2.gz QKNVNOQTDLVGON-UHFFFAOYSA-N -1 1 451.386 4.621 40 0 JJABMM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408555277 570196741 /nfs/dbraw/zinc/19/67/41/570196741.db2.gz ACRYIHDOAUKMNR-UHFFFAOYSA-N -1 1 481.357 4.820 40 0 JJABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1NC(=O)c1ccc(C)cc1 ZINC000408555813 570197047 /nfs/dbraw/zinc/19/70/47/570197047.db2.gz GNSZTUXYPPCOAB-UHFFFAOYSA-N -1 1 475.364 4.819 40 0 JJABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)c1ccccc1 ZINC000408558337 570198984 /nfs/dbraw/zinc/19/89/84/570198984.db2.gz QRCJIWZINHZPFV-UHFFFAOYSA-N -1 1 475.364 4.901 40 0 JJABMM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000408577339 570206152 /nfs/dbraw/zinc/20/61/52/570206152.db2.gz ZEFSSGHCFLALBM-UHFFFAOYSA-N -1 1 460.939 4.719 40 0 JJABMM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc(OC)c1OC ZINC000408578474 570206286 /nfs/dbraw/zinc/20/62/86/570206286.db2.gz VLIKQQPKGHZOQY-UHFFFAOYSA-N -1 1 490.965 4.727 40 0 JJABMM