smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C(=N[N-]S(=O)(=O)CCc2ccccc2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814858919 741870671 /nfs/dbraw/zinc/87/06/71/741870671.db2.gz JBEMLENRLZLZFD-DZGCQCFKSA-N -2 3 366.483 2.661 20 30 FFEDHL C#CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1 ZINC000730996665 997609434 /nfs/dbraw/zinc/60/94/34/997609434.db2.gz XPMCPOHVGJIWGQ-UHFFFAOYSA-N -2 3 371.414 2.686 20 30 FFEDHL C[Si](C)(C)C#Cc1ccc(C(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001189176721 1006954835 /nfs/dbraw/zinc/95/48/35/1006954835.db2.gz JIAIZNWBJSSFJW-UHFFFAOYSA-N -2 3 353.431 2.603 20 30 FFEDHL C=C(C)CN(CC)C(=O)c1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001152603741 1032202308 /nfs/dbraw/zinc/20/23/08/1032202308.db2.gz NGKOTVAPEFYNIX-UHFFFAOYSA-N -2 3 365.385 2.911 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837392701 1025771123 /nfs/dbraw/zinc/77/11/23/1025771123.db2.gz ZXMFAGNAWQMSPD-UHFFFAOYSA-N -2 3 371.349 2.566 20 30 FFEDHL N#C[C@H]1CC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229785663 1036893897 /nfs/dbraw/zinc/89/38/97/1036893897.db2.gz INEVRJRWDBRDOA-GXSJLCMTSA-N -2 3 371.345 2.517 20 30 FFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000323715206 511831806 /nfs/dbraw/zinc/83/18/06/511831806.db2.gz JKBKWGGQZPENHG-UHFFFAOYSA-N -2 3 354.746 2.850 20 30 FFEDHL N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(Cl)c1 ZINC000486493073 515509611 /nfs/dbraw/zinc/50/96/11/515509611.db2.gz FYNBIIZPRJCQDW-UHFFFAOYSA-N -2 3 354.746 2.850 20 30 FFEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000542860601 517786059 /nfs/dbraw/zinc/78/60/59/517786059.db2.gz JWKYJJQBCYVDQV-SNVBAGLBSA-N -2 3 369.748 2.504 20 30 FFEDHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000563493996 517934872 /nfs/dbraw/zinc/93/48/72/517934872.db2.gz SRMMVJRZKRQUQQ-JTQLQIEISA-N -2 3 358.847 2.769 20 30 FFEDHL N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc([O-])c1 ZINC000563635592 518037809 /nfs/dbraw/zinc/03/78/09/518037809.db2.gz KDJVXSYWSUZQSK-UHFFFAOYSA-N -2 3 353.197 2.827 20 30 FFEDHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-] ZINC000584389709 518314498 /nfs/dbraw/zinc/31/44/98/518314498.db2.gz ZILKWRDYFVQVFI-CYBMUJFWSA-N -2 3 356.419 2.647 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c(Cl)c1 ZINC000614315003 520904974 /nfs/dbraw/zinc/90/49/74/520904974.db2.gz XYYMSFYFKKSNHM-LLVKDONJSA-N -2 3 370.839 2.767 20 30 FFEDHL Cc1c(C(=O)[O-])oc2c1C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000822020692 607458274 /nfs/dbraw/zinc/45/82/74/607458274.db2.gz GYUGQNHVFTUCDJ-UXBLZVDNSA-N -2 3 368.324 2.818 20 30 FFEDHL Cc1c(C(=O)[O-])oc2c1C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000822020692 607458275 /nfs/dbraw/zinc/45/82/75/607458275.db2.gz GYUGQNHVFTUCDJ-UXBLZVDNSA-N -2 3 368.324 2.818 20 30 FFEDHL Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)n[n-]2)o1 ZINC000832906010 601349495 /nfs/dbraw/zinc/34/94/95/601349495.db2.gz NHOQOTLHRCYWFO-MRXNPFEDSA-N -2 3 351.318 2.833 20 30 FFEDHL CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(=O)[O-])o2)cc1 ZINC000827589383 604220962 /nfs/dbraw/zinc/22/09/62/604220962.db2.gz IXFBLLPNUCCDIE-AWEZNQCLSA-N -2 3 355.350 2.571 20 30 FFEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC000833372962 605050216 /nfs/dbraw/zinc/05/02/16/605050216.db2.gz BWMHQFXREHOCLU-GFCCVEGCSA-N -2 3 352.437 2.827 20 30 FFEDHL COc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)c(Br)c1[O-] ZINC000761012521 736687863 /nfs/dbraw/zinc/68/78/63/736687863.db2.gz NTGHROMCVXGCPA-UHFFFAOYSA-N -2 3 366.171 2.703 20 30 FFEDHL O=c1[n-][n-]c(=O)n1N=C(CC(F)(F)F)c1ccc(Br)cc1 ZINC000814233913 741805005 /nfs/dbraw/zinc/80/50/05/741805005.db2.gz MKKWPWBCCYGRMS-UHFFFAOYSA-N -2 3 365.109 2.657 20 30 FFEDHL N#Cc1c(F)ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1F ZINC001188311997 1006506907 /nfs/dbraw/zinc/50/69/07/1006506907.db2.gz GSALVVHQDHYMFV-UHFFFAOYSA-N -2 3 372.736 2.989 20 30 FFEDHL N#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1F ZINC001188308905 1006528435 /nfs/dbraw/zinc/52/84/35/1006528435.db2.gz QTOUFXNBRSSJMM-UHFFFAOYSA-N -2 3 354.746 2.850 20 30 FFEDHL N#C[C@@H]1CC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229785664 1036894562 /nfs/dbraw/zinc/89/45/62/1036894562.db2.gz INEVRJRWDBRDOA-MWLCHTKSSA-N -2 3 371.345 2.517 20 30 FFEDHL C#CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCCCC1 ZINC001259225752 1039815709 /nfs/dbraw/zinc/81/57/09/1039815709.db2.gz FIQLFTQGNCFHBW-UHFFFAOYSA-N -2 3 359.806 2.792 20 30 FFEDHL CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC001588781002 1080193904 /nfs/dbraw/zinc/19/39/04/1080193904.db2.gz WKWLTUVPWIYFOY-LBPRGKRZSA-N -2 3 366.381 2.555 20 30 FFEDHL C=CCOC[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001588859137 1080220115 /nfs/dbraw/zinc/22/01/15/1080220115.db2.gz AKLMLVNPDXPTMB-GOSISDBHSA-N -2 3 369.417 2.563 20 30 FFEDHL C=CCCS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000120137661 508936045 /nfs/dbraw/zinc/93/60/45/508936045.db2.gz WDCAIROBRFJVPY-UHFFFAOYSA-N -2 3 366.464 2.805 20 30 FFEDHL N#CC1(CS(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])CCCC1 ZINC000543787277 516429410 /nfs/dbraw/zinc/42/94/10/516429410.db2.gz KJHIIFLLGQZPLR-UHFFFAOYSA-N -2 3 350.440 2.920 20 30 FFEDHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)(CC(=O)[O-])C1 ZINC000547886137 516617931 /nfs/dbraw/zinc/61/79/31/516617931.db2.gz PCAZIBOKFQKKOV-BZNIZROVSA-N -2 3 370.858 2.771 20 30 FFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CCC(=O)[O-] ZINC000590898820 519424738 /nfs/dbraw/zinc/42/47/38/519424738.db2.gz MOUXIJBUKOJMTG-BXUZGUMPSA-N -2 3 370.858 2.914 20 30 FFEDHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C(=O)[O-] ZINC000575050103 519472717 /nfs/dbraw/zinc/47/27/17/519472717.db2.gz BMPZZLDKYNTZRU-UHFFFAOYSA-N -2 3 352.318 2.644 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738230931 600167589 /nfs/dbraw/zinc/16/75/89/600167589.db2.gz UOAZJUQSCHUHSY-UHFFFAOYSA-N -2 3 357.341 2.684 20 30 FFEDHL Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)c([O-])cc2Cl)o1 ZINC000826322789 607965077 /nfs/dbraw/zinc/96/50/77/607965077.db2.gz BNFZOURYBHDXFR-UHFFFAOYSA-N -2 3 354.157 2.622 20 30 FFEDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000775285994 738078113 /nfs/dbraw/zinc/07/81/13/738078113.db2.gz IMNKIQAYSCVFBC-UHFFFAOYSA-N -2 3 350.783 2.921 20 30 FFEDHL O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1=O ZINC001611361323 971005542 /nfs/dbraw/zinc/00/55/42/971005542.db2.gz BEOBPOPPBHAMGI-BRGAZZMFSA-N -2 3 372.808 2.891 20 30 FFEDHL Cc1[n-][nH]c2ncnc(=NC(=O)c3cc([O-])cc(-c4cccc(C#N)c4)c3)c1-2 ZINC001196297556 1003739368 /nfs/dbraw/zinc/73/93/68/1003739368.db2.gz NQBVRGJHXMYQEN-UHFFFAOYSA-N -2 3 370.372 2.531 20 30 FFEDHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C#N)c2)cc1C(=O)[O-] ZINC001192640077 1004230700 /nfs/dbraw/zinc/23/07/00/1004230700.db2.gz QRWKRNLVCYFTQS-UHFFFAOYSA-N -2 3 360.391 2.764 20 30 FFEDHL N#C[C@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1ccccc1F ZINC001227596031 1035628111 /nfs/dbraw/zinc/62/81/11/1035628111.db2.gz GGIPXYUECUDUOV-QMMMGPOBSA-N -2 3 364.134 2.604 20 30 FFEDHL C#C[C@@H]1CCC[C@@H]1Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229792868 1036902139 /nfs/dbraw/zinc/90/21/39/1036902139.db2.gz UMJNXFGIGOYMGJ-HWPZZCPQSA-N -2 3 370.357 2.626 20 30 FFEDHL CC(C)c1ccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000287186362 257076370 /nfs/dbraw/zinc/07/63/70/257076370.db2.gz KQOKABLBTCRVLF-HNNXBMFYSA-N -2 3 362.407 2.769 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000350811100 511886564 /nfs/dbraw/zinc/88/65/64/511886564.db2.gz BMPPGZSOVXJMBL-UHFFFAOYSA-N -2 3 354.341 2.956 20 30 FFEDHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000436478845 513867552 /nfs/dbraw/zinc/86/75/52/513867552.db2.gz RZDZQRDFCGFHFL-UHFFFAOYSA-N -2 3 366.782 2.505 20 30 FFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1 ZINC000548249700 516850484 /nfs/dbraw/zinc/85/04/84/516850484.db2.gz DKTUEIPOYXZGSQ-UHFFFAOYSA-N -2 3 370.858 2.915 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000570719647 518747350 /nfs/dbraw/zinc/74/73/50/518747350.db2.gz RCKICLXHKHUSTL-OAHLLOKOSA-N -2 3 361.442 2.604 20 30 FFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1 ZINC000594671691 520076836 /nfs/dbraw/zinc/07/68/36/520076836.db2.gz XNBUWBWISLKHOS-UHFFFAOYSA-N -2 3 364.448 2.757 20 30 FFEDHL Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cccc1-c1nn[n-]n1 ZINC000826243220 609530193 /nfs/dbraw/zinc/53/01/93/609530193.db2.gz ZIOJPSHZMAPZHJ-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000654787553 731394359 /nfs/dbraw/zinc/39/43/59/731394359.db2.gz FJGWYURXEOFTPF-QMMMGPOBSA-N -2 3 368.274 2.517 20 30 FFEDHL Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826257136 743376629 /nfs/dbraw/zinc/37/66/29/743376629.db2.gz PALXBGDMKPGLKE-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C#N ZINC000826299827 743378029 /nfs/dbraw/zinc/37/80/29/743378029.db2.gz WWYPFJUIFWZKFB-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C#N ZINC000826299827 743378037 /nfs/dbraw/zinc/37/80/37/743378037.db2.gz WWYPFJUIFWZKFB-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL C=C[C@@H](C)O[N-]C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000846545277 748499809 /nfs/dbraw/zinc/49/98/09/748499809.db2.gz VKIJDDNZIDLVAK-CYBMUJFWSA-N -2 3 361.467 2.868 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599940848 985452346 /nfs/dbraw/zinc/45/23/46/985452346.db2.gz VOQGWNXVPZPVGG-HXUWFJFHSA-N -2 3 373.453 2.748 20 30 FFEDHL COc1cc(C=N[N-]c2oc(CC(C)C)nc2C#N)c([N+](=O)[O-])cc1[O-] ZINC000745612830 999923177 /nfs/dbraw/zinc/92/31/77/999923177.db2.gz AOSUXESVOUAMFV-UHFFFAOYSA-N -2 3 359.342 2.813 20 30 FFEDHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1F ZINC001185909113 1003111574 /nfs/dbraw/zinc/11/15/74/1003111574.db2.gz JFMAEZFPGLFKOQ-UHFFFAOYSA-N -2 3 352.318 2.644 20 30 FFEDHL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1[O-] ZINC001196680599 1003896546 /nfs/dbraw/zinc/89/65/46/1003896546.db2.gz UFOVVFMJZIBVJF-UHFFFAOYSA-N -2 3 350.783 2.921 20 30 FFEDHL C=C1O[C@@H](C)C(=O)C1Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227307178 1035501026 /nfs/dbraw/zinc/50/10/26/1035501026.db2.gz SFWIDWMHABKNGO-QMMMGPOBSA-N -2 3 354.314 2.956 20 30 FFEDHL C=C[C@@H](Oc1c(-c2ccccc2)oc2cc([O-])cc([O-])c2c1=O)C(=O)OC ZINC001229773043 1036887691 /nfs/dbraw/zinc/88/76/91/1036887691.db2.gz HBMKTIQTPHPNFN-CQSZACIVSA-N -2 3 368.341 2.978 20 30 FFEDHL N#Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1N1CCCC1 ZINC001260190078 1040446594 /nfs/dbraw/zinc/44/65/94/1040446594.db2.gz ZXRMSVMIIJHDEN-UHFFFAOYSA-N -2 3 371.418 2.657 20 30 FFEDHL CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc([O-])c2F)C1=O ZINC001568440284 1077091695 /nfs/dbraw/zinc/09/16/95/1077091695.db2.gz RDDVKBIRZRHNOW-SFHVURJKSA-N -2 3 365.405 2.847 20 30 FFEDHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000547932352 516639321 /nfs/dbraw/zinc/63/93/21/516639321.db2.gz ANKJVUCJKQZJHC-WDEREUQCSA-N -2 3 358.847 2.769 20 30 FFEDHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000547932801 516639721 /nfs/dbraw/zinc/63/97/21/516639721.db2.gz JHYORYNCUFZZCP-GHMZBOCLSA-N -2 3 358.847 2.769 20 30 FFEDHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000548218440 516833676 /nfs/dbraw/zinc/83/36/76/516833676.db2.gz YVUOLSIQWREQDW-ZFWWWQNUSA-N -2 3 356.831 2.523 20 30 FFEDHL C=CCOc1ccccc1C[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000546961133 517935525 /nfs/dbraw/zinc/93/55/25/517935525.db2.gz ZKPZDKAQKAUXGP-UHFFFAOYSA-N -2 3 365.407 2.638 20 30 FFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-] ZINC000594672783 520076984 /nfs/dbraw/zinc/07/69/84/520076984.db2.gz BRQURIOQVFFQFP-VIFPVBQESA-N -2 3 352.437 2.613 20 30 FFEDHL Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C(=O)[O-] ZINC000832942900 601064224 /nfs/dbraw/zinc/06/42/24/601064224.db2.gz UOAQKMQTLRNOAU-UHFFFAOYSA-N -2 3 353.378 2.854 20 30 FFEDHL CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc(Cl)cc(F)c2[O-])o1 ZINC000824352574 608533436 /nfs/dbraw/zinc/53/34/36/608533436.db2.gz JDBOFDKNPYGNII-UHFFFAOYSA-N -2 3 365.756 2.922 20 30 FFEDHL CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)cc(F)c2[O-])o1 ZINC000824352574 608533437 /nfs/dbraw/zinc/53/34/37/608533437.db2.gz JDBOFDKNPYGNII-UHFFFAOYSA-N -2 3 365.756 2.922 20 30 FFEDHL O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1[O-] ZINC000826498228 609474646 /nfs/dbraw/zinc/47/46/46/609474646.db2.gz LYYGSGULOZOMJN-UHFFFAOYSA-N -2 3 359.733 2.580 20 30 FFEDHL O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1[O-] ZINC000826498228 609474648 /nfs/dbraw/zinc/47/46/48/609474648.db2.gz LYYGSGULOZOMJN-UHFFFAOYSA-N -2 3 359.733 2.580 20 30 FFEDHL CCCCCCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000792561152 739683048 /nfs/dbraw/zinc/68/30/48/739683048.db2.gz DKYNNJBNZIJAPU-LLVKDONJSA-N -2 3 365.883 2.556 20 30 FFEDHL O=C(C=Cc1ccc([N+](=O)[O-])c([O-])c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401214 948221780 /nfs/dbraw/zinc/22/17/80/948221780.db2.gz SNQGUTGTKWYKMM-KXFIGUGUSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1ccc([N+](=O)[O-])c([O-])c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401214 948221789 /nfs/dbraw/zinc/22/17/89/948221789.db2.gz SNQGUTGTKWYKMM-KXFIGUGUSA-N -2 3 355.285 2.516 20 30 FFEDHL CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000916240887 989762443 /nfs/dbraw/zinc/76/24/43/989762443.db2.gz SPUGEPYIUBNBON-UHFFFAOYSA-N -2 3 369.421 2.759 20 30 FFEDHL CC(C)(CCC#N)c1ccc(C(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001148908026 1001233061 /nfs/dbraw/zinc/23/30/61/1001233061.db2.gz DDFWZXFTYQMPIN-UHFFFAOYSA-N -2 3 352.371 2.956 20 30 FFEDHL COc1c([O-])c(C=N[N-]c2oc(CC(C)C)nc2C#N)ccc1[N+](=O)[O-] ZINC000773053498 1002537864 /nfs/dbraw/zinc/53/78/64/1002537864.db2.gz FPTJSYJIFYVSLO-UHFFFAOYSA-N -2 3 359.342 2.813 20 30 FFEDHL C=CCC1(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[O-])c3ccccc23)CC1 ZINC001190806582 1007792648 /nfs/dbraw/zinc/79/26/48/1007792648.db2.gz ILGSLNTYSNUJPB-UHFFFAOYSA-N -2 3 367.448 2.937 20 30 FFEDHL C=C(C)C(=O)OC[C@@H](C)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121296 1035943197 /nfs/dbraw/zinc/94/31/97/1035943197.db2.gz BORGEJPXUFBEJS-GFCCVEGCSA-N -2 3 372.373 2.921 20 30 FFEDHL O=C([O-])CC[C@@H](O)C(=O)Oc1ccccc1N=CC=Nc1ccccc1[O-] ZINC001228125706 1035947969 /nfs/dbraw/zinc/94/79/69/1035947969.db2.gz TWPQZKMQQQSSEC-MRXNPFEDSA-N -2 3 370.361 2.628 20 30 FFEDHL N#CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCCC1 ZINC001259226322 1039816455 /nfs/dbraw/zinc/81/64/55/1039816455.db2.gz QOTCLJZDLAZTAX-UHFFFAOYSA-N -2 3 360.794 2.682 20 30 FFEDHL CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC001260399928 1040579115 /nfs/dbraw/zinc/57/91/15/1040579115.db2.gz ICAIAOLPBZFASA-UHFFFAOYSA-N -2 3 360.391 2.692 20 30 FFEDHL C=CCCC[C@@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)C(=O)[O-] ZINC001573367439 1077684460 /nfs/dbraw/zinc/68/44/60/1077684460.db2.gz VXCIGKCETIFPST-CYBMUJFWSA-N -2 3 366.464 2.898 20 30 FFEDHL C[C@@H](Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1)C(=O)[O-] ZINC001590022908 1080948974 /nfs/dbraw/zinc/94/89/74/1080948974.db2.gz IXJKNAJUHNZEMF-KBVBDRTLSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@@H](Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1)C(=O)[O-] ZINC001590022908 1080948978 /nfs/dbraw/zinc/94/89/78/1080948978.db2.gz IXJKNAJUHNZEMF-KBVBDRTLSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-] ZINC000321198200 511819590 /nfs/dbraw/zinc/81/95/90/511819590.db2.gz UHLSUTJNQGIWJY-MNOVXSKESA-N -2 3 358.847 2.769 20 30 FFEDHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000322402020 511824559 /nfs/dbraw/zinc/82/45/59/511824559.db2.gz UGTULBCIDJXCFY-DZGCQCFKSA-N -2 3 356.831 2.523 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC000548264112 516857445 /nfs/dbraw/zinc/85/74/45/516857445.db2.gz NXEUUQVIPIPKBT-TZMCWYRMSA-N -2 3 370.858 2.914 20 30 FFEDHL C[C@@H]1CCC[C@]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)(C(=O)[O-])C1 ZINC000548770855 517203736 /nfs/dbraw/zinc/20/37/36/517203736.db2.gz HVHHUNWQTYYGRB-MEBBXXQBSA-N -2 3 356.831 2.523 20 30 FFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1)C(=O)[O-] ZINC000820533357 606305457 /nfs/dbraw/zinc/30/54/57/606305457.db2.gz DSTSBCKFSZTADR-OMMCCPJFSA-N -2 3 370.390 2.676 20 30 FFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1)C(=O)[O-] ZINC000820533357 606305458 /nfs/dbraw/zinc/30/54/58/606305458.db2.gz DSTSBCKFSZTADR-OMMCCPJFSA-N -2 3 370.390 2.676 20 30 FFEDHL CC(C)(C)c1[n-]n(Cc2ccc(F)cc2-c2nnn[n-]2)c(=O)c1CCC#N ZINC000824141993 607973196 /nfs/dbraw/zinc/97/31/96/607973196.db2.gz QLELGSDFGXFDOL-UHFFFAOYSA-N -2 3 369.404 2.710 20 30 FFEDHL CC(C)(C)c1[n-]n(Cc2ccc(F)cc2-c2nn[n-]n2)c(=O)c1CCC#N ZINC000824141993 607973197 /nfs/dbraw/zinc/97/31/97/607973197.db2.gz QLELGSDFGXFDOL-UHFFFAOYSA-N -2 3 369.404 2.710 20 30 FFEDHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)C#N)cc2)cc1C(=O)[O-] ZINC001185307541 1002907121 /nfs/dbraw/zinc/90/71/21/1002907121.db2.gz SJKBOGFETBPVIQ-LLVKDONJSA-N -2 3 360.391 2.821 20 30 FFEDHL COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C)cc1C(=O)[O-] ZINC001185307529 1002907229 /nfs/dbraw/zinc/90/72/29/1002907229.db2.gz SGLBTLVTSNIEGZ-UHFFFAOYSA-N -2 3 360.391 2.683 20 30 FFEDHL CC#CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000543787632 516429088 /nfs/dbraw/zinc/42/90/88/516429088.db2.gz WCEOJWJDQXXAFY-JTQLQIEISA-N -2 3 369.748 2.504 20 30 FFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CC1CCCC1)C(=O)[O-] ZINC000547895476 516622876 /nfs/dbraw/zinc/62/28/76/516622876.db2.gz DZUISJSJASVPAU-ZDUSSCGKSA-N -2 3 356.831 2.523 20 30 FFEDHL N#Cc1cc(F)ccc1CS(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000517068994 518009180 /nfs/dbraw/zinc/00/91/80/518009180.db2.gz LNVSSSZUHVVEPM-UHFFFAOYSA-N -2 3 370.308 2.616 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1Br ZINC000565517785 518993706 /nfs/dbraw/zinc/99/37/06/518993706.db2.gz JWEBELKLZOGGHW-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000574389126 519130209 /nfs/dbraw/zinc/13/02/09/519130209.db2.gz VJCIEGTUISDJFY-GFCCVEGCSA-N -2 3 370.839 2.767 20 30 FFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1)C(=O)[O-] ZINC000820535734 606390316 /nfs/dbraw/zinc/39/03/16/606390316.db2.gz QMRZLTDJADHCHR-ONRRBMGISA-N -2 3 370.390 2.676 20 30 FFEDHL C[C@H]([N-]C(=O)N=c1[n-]nc(C(F)(F)C(F)(F)F)s1)C(F)(F)F ZINC000640387244 730147638 /nfs/dbraw/zinc/14/76/38/730147638.db2.gz ODVMECLPGPTIKG-REOHCLBHSA-N -2 3 358.214 2.686 20 30 FFEDHL Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000751730938 735912696 /nfs/dbraw/zinc/91/26/96/735912696.db2.gz JSYZZANWHGNDJN-SNVBAGLBSA-N -2 3 368.773 2.983 20 30 FFEDHL N#CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CC1 ZINC000797406520 740243189 /nfs/dbraw/zinc/24/31/89/740243189.db2.gz HVAPAOYWTNAUJW-UHFFFAOYSA-N -2 3 363.222 2.664 20 30 FFEDHL C[C@H]1C(=N[N-]S(=O)(=O)Cc2ccccc2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814815768 741867674 /nfs/dbraw/zinc/86/76/74/741867674.db2.gz DIOFVUARTYHGGW-GXTWGEPZSA-N -2 3 352.456 2.619 20 30 FFEDHL C[C@@H]1C(=N[N-]S(=O)(=O)CCc2ccccc2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814858922 741870297 /nfs/dbraw/zinc/87/02/97/741870297.db2.gz JBEMLENRLZLZFD-UKRRQHHQSA-N -2 3 366.483 2.661 20 30 FFEDHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000826279944 743376520 /nfs/dbraw/zinc/37/65/20/743376520.db2.gz IUWARVXOPGXWRL-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000826279944 743376522 /nfs/dbraw/zinc/37/65/22/743376522.db2.gz IUWARVXOPGXWRL-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001594780891 981786023 /nfs/dbraw/zinc/78/60/23/981786023.db2.gz IVPRITTXLKIAAY-FQEVSTJZSA-N -2 3 373.453 2.700 20 30 FFEDHL CN1CCN(c2ccc(/C=C\C(=O)c3ccc(C(=O)[O-])cc3[O-])cc2)CC1 ZINC000806558488 1004361656 /nfs/dbraw/zinc/36/16/56/1004361656.db2.gz DSWPCJIOSIXBSN-WTKPLQERSA-N -2 3 366.417 2.738 20 30 FFEDHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(C#N)c2)c(Cl)c1 ZINC001193354482 1004460423 /nfs/dbraw/zinc/46/04/23/1004460423.db2.gz WGGFJHCXMRWWJY-UHFFFAOYSA-N -2 3 365.798 2.676 20 30 FFEDHL C[C@@](C#N)([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1ccccc1Cl ZINC001198800842 1004742604 /nfs/dbraw/zinc/74/26/04/1004742604.db2.gz DQXHJVKOGZCEPK-INIZCTEOSA-N -2 3 364.810 2.755 20 30 FFEDHL N#Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1[O-] ZINC000682383883 1018801697 /nfs/dbraw/zinc/80/16/97/1018801697.db2.gz JIBWXTWNUQLVEA-UHFFFAOYSA-N -2 3 350.374 2.705 20 30 FFEDHL O=S1(=O)[N-]/C(=N/Cc2cc(Cl)cc(Cl)c2[O-])c2ccccc21 ZINC001117485879 1021723238 /nfs/dbraw/zinc/72/32/38/1021723238.db2.gz QWGRGRLOFIMMRQ-UHFFFAOYSA-N -2 3 357.218 2.938 20 30 FFEDHL Cc1oc(C)c(Oc2c([O-])cc(C(=O)OCCC(C)C)cc2[O-])c1[O-] ZINC001227590242 1035621537 /nfs/dbraw/zinc/62/15/37/1035621537.db2.gz NEQNWLCSJCKYJO-SNVBAGLBSA-N -3 3 350.367 2.899 20 30 FFEDHL C#C[C@H](C)Oc1c(-c2ccc(O)cc2)oc2cc([O-])c(O)c([O-])c2c1=O ZINC001234737467 1037162231 /nfs/dbraw/zinc/16/22/31/1037162231.db2.gz MPCQYUSGNLWSNR-VIFPVBQESA-N -2 3 354.314 2.683 20 30 FFEDHL C=C(C)C[C@@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC001588555866 1080094853 /nfs/dbraw/zinc/09/48/53/1080094853.db2.gz VHDPGFQVFSKMEJ-CYBMUJFWSA-N -2 3 366.464 2.816 20 30 FFEDHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)(CC(=O)[O-])C1 ZINC000547892767 516622831 /nfs/dbraw/zinc/62/28/31/516622831.db2.gz LEVXPIIGDWYJHJ-BDJLRTHQSA-N -2 3 370.858 2.771 20 30 FFEDHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)(CC(=O)[O-])C1 ZINC000548551503 517050414 /nfs/dbraw/zinc/05/04/14/517050414.db2.gz ZYVVPENNYFAGTP-BZNIZROVSA-N -2 3 370.858 2.771 20 30 FFEDHL C[C@H]1CCC[C@@]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)(C(=O)[O-])C1 ZINC000548770854 517204040 /nfs/dbraw/zinc/20/40/40/517204040.db2.gz HVHHUNWQTYYGRB-BONVTDFDSA-N -2 3 356.831 2.523 20 30 FFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000580877638 519403195 /nfs/dbraw/zinc/40/31/95/519403195.db2.gz DIHAQHJYPYFYHV-MRVPVSSYSA-N -2 3 368.274 2.517 20 30 FFEDHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593945830 521307534 /nfs/dbraw/zinc/30/75/34/521307534.db2.gz YECVCIYTXSTHQY-TVYUQYBPSA-N -2 3 370.858 2.625 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000832843194 604884683 /nfs/dbraw/zinc/88/46/83/604884683.db2.gz SZRNGDRJYGJIBP-QGZVFWFLSA-N -2 3 367.405 2.541 20 30 FFEDHL C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000398067856 605250418 /nfs/dbraw/zinc/25/04/18/605250418.db2.gz KNGFGNPZEKJJSW-QMMMGPOBSA-N -2 3 366.233 2.763 20 30 FFEDHL CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001593863478 996663424 /nfs/dbraw/zinc/66/34/24/996663424.db2.gz GSRITEWYSFMWDY-ZDUSSCGKSA-N -2 3 363.222 2.662 20 30 FFEDHL COc1cc(C(=O)[O-])ccc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001599378470 998528647 /nfs/dbraw/zinc/52/86/47/998528647.db2.gz NCZJVGAIXKVMRX-UHFFFAOYSA-N -2 3 370.361 2.521 20 30 FFEDHL C=C(C)C(=O)OC[C@H](C)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121298 1035944044 /nfs/dbraw/zinc/94/40/44/1035944044.db2.gz BORGEJPXUFBEJS-LBPRGKRZSA-N -2 3 372.373 2.921 20 30 FFEDHL C#C[C@H]1CCC[C@H]1Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229792869 1036902764 /nfs/dbraw/zinc/90/27/64/1036902764.db2.gz UMJNXFGIGOYMGJ-MGPLVRAMSA-N -2 3 370.357 2.626 20 30 FFEDHL N#Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1[O-] ZINC001257863890 1039022515 /nfs/dbraw/zinc/02/25/15/1039022515.db2.gz UVVNEHVTXNLICA-UHFFFAOYSA-N -2 3 353.197 2.827 20 30 FFEDHL CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1cc(C(=O)[O-])cnc1F ZINC001244758481 1045195150 /nfs/dbraw/zinc/19/51/50/1045195150.db2.gz UDNNANNLWSKOOB-DNTJNYDQSA-N -2 3 360.345 2.774 20 30 FFEDHL C=CCOC[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001588859735 1080220059 /nfs/dbraw/zinc/22/00/59/1080220059.db2.gz VKPWZMWZMHUISG-INIZCTEOSA-N -2 3 357.362 2.570 20 30 FFEDHL CC(C)(CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CCC(=O)[O-] ZINC000321812823 511822142 /nfs/dbraw/zinc/82/21/42/511822142.db2.gz ZLBQTDHCTFTORK-UHFFFAOYSA-N -2 3 358.847 2.771 20 30 FFEDHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000322435179 511824667 /nfs/dbraw/zinc/82/46/67/511824667.db2.gz YWGGFZMQDJQGQB-NSHDSACASA-N -2 3 358.847 2.769 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1Cl ZINC000391773971 512919378 /nfs/dbraw/zinc/91/93/78/512919378.db2.gz SBPLEKQQOVRYSQ-UHFFFAOYSA-N -2 3 354.746 2.850 20 30 FFEDHL N#Cc1ccc(F)c(CS(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000548198116 516820499 /nfs/dbraw/zinc/82/04/99/516820499.db2.gz DRTOOOBCVBKYBK-UHFFFAOYSA-N -2 3 368.773 2.991 20 30 FFEDHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000548218439 516833802 /nfs/dbraw/zinc/83/38/02/516833802.db2.gz YVUOLSIQWREQDW-UKRRQHHQSA-N -2 3 356.831 2.523 20 30 FFEDHL CC1(C)CC[C@]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)(C(=O)[O-])C1 ZINC000556772184 517648229 /nfs/dbraw/zinc/64/82/29/517648229.db2.gz GVOKTMVOIRZBER-OAHLLOKOSA-N -2 3 356.831 2.523 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000574389128 519130791 /nfs/dbraw/zinc/13/07/91/519130791.db2.gz VJCIEGTUISDJFY-LBPRGKRZSA-N -2 3 370.839 2.767 20 30 FFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1)C(=O)[O-] ZINC000820535733 606390518 /nfs/dbraw/zinc/39/05/18/606390518.db2.gz QMRZLTDJADHCHR-BXKUYDPTSA-N -2 3 370.390 2.676 20 30 FFEDHL CC(C)(C)c1[n-]n(Cc2ccc(-c3nn[n-]n3)cc2)c(=O)c1CCC#N ZINC000819971617 606841632 /nfs/dbraw/zinc/84/16/32/606841632.db2.gz OMWUHEXEUBHGFJ-UHFFFAOYSA-N -2 3 351.414 2.571 20 30 FFEDHL COc1cc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)c(OC)cc1[O-] ZINC000763103887 989038272 /nfs/dbraw/zinc/03/82/72/989038272.db2.gz HMNCNDPRXDOQRM-VOTSOKGWSA-N -2 3 358.346 2.769 20 30 FFEDHL COc1ccc(S(=O)(=O)[N-]c2cc(C#N)c(C)cc2C)cc1C(=O)[O-] ZINC001185314943 1002910257 /nfs/dbraw/zinc/91/02/57/1002910257.db2.gz QMGUKONICGTLLO-UHFFFAOYSA-N -2 3 360.391 2.683 20 30 FFEDHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C)cc1C(=O)[O-] ZINC001192601214 1004212677 /nfs/dbraw/zinc/21/26/77/1004212677.db2.gz ADBGXZORXYAYHI-UHFFFAOYSA-N -2 3 360.391 2.764 20 30 FFEDHL N#Cc1cc2cccnc2nc1NC(=O)c1cc(=O)c2cccc([O-])c2[n-]1 ZINC001152670018 1032211816 /nfs/dbraw/zinc/21/18/16/1032211816.db2.gz RBEIKEGXSLVRCI-UHFFFAOYSA-N -2 3 357.329 2.713 20 30 FFEDHL C#CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000794711496 1010564109 /nfs/dbraw/zinc/56/41/09/1010564109.db2.gz FAVPOBSFPDULPK-VQHVLOKHSA-N -2 3 368.389 2.699 20 30 FFEDHL C=C1O[C@H](C)C(=O)C1Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21 ZINC001234749804 1037166221 /nfs/dbraw/zinc/16/62/21/1037166221.db2.gz DFMATPFJFHEWMD-SSDOTTSWSA-N -2 3 370.313 2.661 20 30 FFEDHL N#Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1[O-] ZINC001255802391 1038176779 /nfs/dbraw/zinc/17/67/79/1038176779.db2.gz ZXCMNUAHIUOROM-UHFFFAOYSA-N -2 3 358.297 2.963 20 30 FFEDHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1C(=O)[O-] ZINC000327360534 511874892 /nfs/dbraw/zinc/87/48/92/511874892.db2.gz OKOWBIQCLQQIHD-UHFFFAOYSA-N -2 3 364.354 2.595 20 30 FFEDHL N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])c1 ZINC000540457675 516564506 /nfs/dbraw/zinc/56/45/06/516564506.db2.gz IGELIDXZKJITSC-UHFFFAOYSA-N -2 3 371.418 2.657 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCCCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC000548264111 516857238 /nfs/dbraw/zinc/85/72/38/516857238.db2.gz NXEUUQVIPIPKBT-OCCSQVGLSA-N -2 3 370.858 2.914 20 30 FFEDHL N#Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)ccc1Cl ZINC000548265771 516858968 /nfs/dbraw/zinc/85/89/68/516858968.db2.gz ILJDIVVJIAFXLS-UHFFFAOYSA-N -2 3 372.736 2.989 20 30 FFEDHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C(=O)[O-])c1 ZINC000548592632 517072256 /nfs/dbraw/zinc/07/22/56/517072256.db2.gz PGGBBENXUKSBAR-UHFFFAOYSA-N -2 3 360.391 2.683 20 30 FFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000562651615 517271434 /nfs/dbraw/zinc/27/14/34/517271434.db2.gz JWMLCEDZIIJDQO-JTQLQIEISA-N -2 3 372.493 2.878 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-]CCC2(CC(=O)[O-])CCCCC2)c(F)c1 ZINC000573206323 518555850 /nfs/dbraw/zinc/55/58/50/518555850.db2.gz LWMPQFJYDLVLGB-UHFFFAOYSA-N -2 3 368.430 2.791 20 30 FFEDHL O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000823503360 599114544 /nfs/dbraw/zinc/11/45/44/599114544.db2.gz DPGIIOSVCUMSGW-GHXNOFRVSA-N -2 3 363.333 2.693 20 30 FFEDHL O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000823503360 599114547 /nfs/dbraw/zinc/11/45/47/599114547.db2.gz DPGIIOSVCUMSGW-GHXNOFRVSA-N -2 3 363.333 2.693 20 30 FFEDHL COc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000737082768 599126838 /nfs/dbraw/zinc/12/68/38/599126838.db2.gz JSKKRNHPQQQOON-UHFFFAOYSA-N -2 3 372.772 2.673 20 30 FFEDHL COc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000737082768 599126840 /nfs/dbraw/zinc/12/68/40/599126840.db2.gz JSKKRNHPQQQOON-UHFFFAOYSA-N -2 3 372.772 2.673 20 30 FFEDHL CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1C(=O)[O-] ZINC000737053140 600524456 /nfs/dbraw/zinc/52/44/56/600524456.db2.gz LVUQAHPWJXQSEE-UHFFFAOYSA-N -2 3 367.405 2.960 20 30 FFEDHL Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)n[n-]2)o1 ZINC000738487599 600612985 /nfs/dbraw/zinc/61/29/85/600612985.db2.gz BZUYEXVIWMUZBO-MRXNPFEDSA-N -2 3 351.318 2.833 20 30 FFEDHL Cc1c(C(=O)[O-])oc2c1C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000822021190 606305740 /nfs/dbraw/zinc/30/57/40/606305740.db2.gz WZAKDELJVYHEGZ-XBXARRHUSA-N -2 3 356.363 2.740 20 30 FFEDHL Cc1c(C(=O)[O-])oc2c1C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CC2 ZINC000822021190 606305744 /nfs/dbraw/zinc/30/57/44/606305744.db2.gz WZAKDELJVYHEGZ-XBXARRHUSA-N -2 3 356.363 2.740 20 30 FFEDHL C#CCCCSc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC000823842001 608261952 /nfs/dbraw/zinc/26/19/52/608261952.db2.gz XDDOXVMGUOUNJU-UHFFFAOYSA-N -2 3 368.422 2.543 20 30 FFEDHL C=CCCCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000769728407 737558469 /nfs/dbraw/zinc/55/84/69/737558469.db2.gz PQGDSOWFCAMNND-UHFFFAOYSA-N -2 3 368.274 2.843 20 30 FFEDHL C=CCC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000776597828 738212801 /nfs/dbraw/zinc/21/28/01/738212801.db2.gz SMHXONUHINTVQI-VIFPVBQESA-N -2 3 368.274 2.517 20 30 FFEDHL C[C@@H]1C(=N[N-]S(=O)(=O)CCc2ccccc2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814858921 741870254 /nfs/dbraw/zinc/87/02/54/741870254.db2.gz JBEMLENRLZLZFD-HIFRSBDPSA-N -2 3 366.483 2.661 20 30 FFEDHL CC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)ccc1[O-] ZINC001196680528 1003897498 /nfs/dbraw/zinc/89/74/98/1003897498.db2.gz PHSLVQVHKJNPEX-UHFFFAOYSA-N -2 3 350.783 2.921 20 30 FFEDHL N#Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)ccc1Br ZINC001197311123 1004156406 /nfs/dbraw/zinc/15/64/06/1004156406.db2.gz WMKDNOQTCDFZEX-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL N#Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc([O-])cc1 ZINC001195795618 1005045500 /nfs/dbraw/zinc/04/55/00/1005045500.db2.gz DXOXOOUNSKAJHI-UHFFFAOYSA-N -2 3 353.197 2.827 20 30 FFEDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccc(=O)[n-]3)cc2)cc1C#N ZINC001201323867 1005199691 /nfs/dbraw/zinc/19/96/91/1005199691.db2.gz PBURYACBTBMAMD-UHFFFAOYSA-N -2 3 354.391 2.559 20 30 FFEDHL N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201783467 1005273139 /nfs/dbraw/zinc/27/31/39/1005273139.db2.gz QAXWMGFCROTKSH-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL COc1c([O-])ccc2c(=O)c3c(O[C@H]4C=CC(=O)C4)cc([O-])cc3oc21 ZINC001234751941 1037169187 /nfs/dbraw/zinc/16/91/87/1037169187.db2.gz RHGXXCAEQYWHQH-NSHDSACASA-N -2 3 354.314 2.642 20 30 FFEDHL N#Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Br)c2)ccc1F ZINC001259417357 1039988330 /nfs/dbraw/zinc/98/83/30/1039988330.db2.gz PYRXNDFNTLJKMF-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL C[C@@H](Oc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1)C(=O)[O-] ZINC001590023500 1080949313 /nfs/dbraw/zinc/94/93/13/1080949313.db2.gz NPHMYFGCMLWMIK-OFFHKIPUSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@@H](Oc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1)C(=O)[O-] ZINC001590023500 1080949317 /nfs/dbraw/zinc/94/93/17/1080949317.db2.gz NPHMYFGCMLWMIK-OFFHKIPUSA-N -2 3 364.361 2.615 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000077704372 508354733 /nfs/dbraw/zinc/35/47/33/508354733.db2.gz AHVZOPWENAUSIK-UHFFFAOYSA-N -2 3 354.746 2.850 20 30 FFEDHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000391158442 512915474 /nfs/dbraw/zinc/91/54/74/512915474.db2.gz BRMSBUVLBGMPNU-HIFRSBDPSA-N -2 3 356.831 2.523 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)c(Cl)c1 ZINC000548193457 516818013 /nfs/dbraw/zinc/81/80/13/516818013.db2.gz QKVDFIVGFSXDHM-LBPRGKRZSA-N -2 3 370.839 2.767 20 30 FFEDHL CC#CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000542860050 517785614 /nfs/dbraw/zinc/78/56/14/517785614.db2.gz AAOANEOVBXGZBM-AWEZNQCLSA-N -2 3 351.811 2.638 20 30 FFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000590898995 519424467 /nfs/dbraw/zinc/42/44/67/519424467.db2.gz YHZIYQPIDJOODS-OCCSQVGLSA-N -2 3 370.858 2.914 20 30 FFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccs1 ZINC000614314396 520904751 /nfs/dbraw/zinc/90/47/51/520904751.db2.gz DZZUXJBDRRWVOB-NSHDSACASA-N -2 3 370.839 2.767 20 30 FFEDHL C#CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000833367528 605166976 /nfs/dbraw/zinc/16/69/76/605166976.db2.gz YZTIZTIHUQZTAR-UHFFFAOYSA-N -2 3 365.794 2.851 20 30 FFEDHL Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000751730935 735912755 /nfs/dbraw/zinc/91/27/55/735912755.db2.gz JSYZZANWHGNDJN-JTQLQIEISA-N -2 3 368.773 2.983 20 30 FFEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000316374778 845798126 /nfs/dbraw/zinc/79/81/26/845798126.db2.gz RZWLASLXBGLWCR-MRVPVSSYSA-N -2 3 368.274 2.517 20 30 FFEDHL CN1CCN(c2ccc(/C=C/C(=O)c3ccc(C(=O)[O-])cc3[O-])cc2)CC1 ZINC000806558487 1004361958 /nfs/dbraw/zinc/36/19/58/1004361958.db2.gz DSWPCJIOSIXBSN-RUDMXATFSA-N -2 3 366.417 2.738 20 30 FFEDHL CC(=O)c1ccc(OCc2ccccc2)c([N-]S(=O)(=O)[C@@H](C)C#N)c1[O-] ZINC001193157619 1004393691 /nfs/dbraw/zinc/39/36/91/1004393691.db2.gz GDMNPHGHDJWLFG-LBPRGKRZSA-N -2 3 374.418 2.828 20 30 FFEDHL C[C@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1ccccc1C#N ZINC001227598638 1035629277 /nfs/dbraw/zinc/62/92/77/1035629277.db2.gz ZBGSUYGAJKOTIU-ZETCQYMHSA-N -2 3 360.171 2.833 20 30 FFEDHL C=CCCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001573364840 1077683655 /nfs/dbraw/zinc/68/36/55/1077683655.db2.gz CPNRWBCOJXQRHC-ZDUSSCGKSA-N -2 3 350.396 2.749 20 30 FFEDHL Cc1[n-]n(-c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(=O)c1CCC#N ZINC001590160939 1081062020 /nfs/dbraw/zinc/06/20/20/1081062020.db2.gz JUBSXQRDWVLUOR-SNVBAGLBSA-N -2 3 363.303 2.528 20 30 FFEDHL Cc1[n-]n(-c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(=O)c1CCC#N ZINC001590160939 1081062025 /nfs/dbraw/zinc/06/20/25/1081062025.db2.gz JUBSXQRDWVLUOR-SNVBAGLBSA-N -2 3 363.303 2.528 20 30 FFEDHL CC1([C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C(=O)[O-])CCCCC1 ZINC000547701642 516507597 /nfs/dbraw/zinc/50/75/97/516507597.db2.gz POWJDZTWYVOISK-CQSZACIVSA-N -2 3 370.858 2.914 20 30 FFEDHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)(CC(=O)[O-])C1 ZINC000547886136 516617781 /nfs/dbraw/zinc/61/77/81/516617781.db2.gz PCAZIBOKFQKKOV-BDJLRTHQSA-N -2 3 370.858 2.771 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)c(Cl)c1 ZINC000548193454 516817869 /nfs/dbraw/zinc/81/78/69/516817869.db2.gz QKVDFIVGFSXDHM-GFCCVEGCSA-N -2 3 370.839 2.767 20 30 FFEDHL N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000548557937 517052578 /nfs/dbraw/zinc/05/25/78/517052578.db2.gz WMILXVZEQMZGGO-UHFFFAOYSA-N -2 3 354.746 2.850 20 30 FFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CC(=O)[O-] ZINC000572578258 518255807 /nfs/dbraw/zinc/25/58/07/518255807.db2.gz XYNMRZPSWVJGIX-GWCFXTLKSA-N -2 3 356.831 2.523 20 30 FFEDHL CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1[O-] ZINC000576044637 518402341 /nfs/dbraw/zinc/40/23/41/518402341.db2.gz ZVQHKHNILKDLCS-UHFFFAOYSA-N -2 3 352.334 2.972 20 30 FFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000576323550 518534712 /nfs/dbraw/zinc/53/47/12/518534712.db2.gz MWDIPXNUBTZNSI-SECBINFHSA-N -2 3 355.309 2.542 20 30 FFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000594671730 520077339 /nfs/dbraw/zinc/07/73/39/520077339.db2.gz YKLNCPJVEMAGDN-NWDGAFQWSA-N -2 3 364.448 2.613 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832842807 602000900 /nfs/dbraw/zinc/00/09/00/602000900.db2.gz KCKJCYOVKQRHSB-UHFFFAOYSA-N -2 3 360.391 2.711 20 30 FFEDHL CC(C)(C)c1[n-]n(Cc2ccccc2-c2nnn[n-]2)c(=O)c1CCC#N ZINC000819971875 606841288 /nfs/dbraw/zinc/84/12/88/606841288.db2.gz VIIGSUASVWORMM-UHFFFAOYSA-N -2 3 351.414 2.571 20 30 FFEDHL CC(C)(C)c1[n-]n(Cc2ccccc2-c2nn[n-]n2)c(=O)c1CCC#N ZINC000819971875 606841290 /nfs/dbraw/zinc/84/12/90/606841290.db2.gz VIIGSUASVWORMM-UHFFFAOYSA-N -2 3 351.414 2.571 20 30 FFEDHL Cn1cc(C=CC(=O)c2ccccc2[O-])c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359994 609310344 /nfs/dbraw/zinc/31/03/44/609310344.db2.gz UVFLBRLLZLVFKW-ZHACJKMWSA-N -2 3 372.388 2.869 20 30 FFEDHL CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(Br)c(F)cc1[O-] ZINC000746559147 735493989 /nfs/dbraw/zinc/49/39/89/735493989.db2.gz VCNKNUFSZQAGRV-UHFFFAOYSA-N -2 3 355.167 2.934 20 30 FFEDHL C[C@@H]1C(=N[N-]S(=O)(=O)Cc2ccccc2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814815771 741867366 /nfs/dbraw/zinc/86/73/66/741867366.db2.gz DIOFVUARTYHGGW-TZMCWYRMSA-N -2 3 352.456 2.619 20 30 FFEDHL C=CCCOCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000844898353 748129448 /nfs/dbraw/zinc/12/94/48/748129448.db2.gz JKWITVUKVDDPMX-UHFFFAOYSA-N -2 3 368.238 2.563 20 30 FFEDHL C=CCC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000316374781 845798355 /nfs/dbraw/zinc/79/83/55/845798355.db2.gz RZWLASLXBGLWCR-QMMMGPOBSA-N -2 3 368.274 2.517 20 30 FFEDHL C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000384188601 845824780 /nfs/dbraw/zinc/82/47/80/845824780.db2.gz UJHXCFHAJOBTDV-ZDUSSCGKSA-N -2 3 350.223 2.772 20 30 FFEDHL COC(=O)c1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C#N)ccc1[O-] ZINC001197241401 1004136424 /nfs/dbraw/zinc/13/64/24/1004136424.db2.gz VMDHQAQZKFBFQR-UHFFFAOYSA-N -2 3 366.782 2.505 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000829821680 1033354956 /nfs/dbraw/zinc/35/49/56/1033354956.db2.gz WBTYGMVHUIKJND-UHFFFAOYSA-N -2 3 369.377 2.928 20 30 FFEDHL C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780127 1034834758 /nfs/dbraw/zinc/83/47/58/1034834758.db2.gz DUSIAFUTEADLJD-SNVBAGLBSA-N -2 3 363.443 2.586 20 30 FFEDHL C#CC[C@@H](CC)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790762 1036900496 /nfs/dbraw/zinc/90/04/96/1036900496.db2.gz JHTDNFFOMKNRMU-LLVKDONJSA-N -2 3 358.346 2.626 20 30 FFEDHL C=C1O[C@H](C)C(=O)C1Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234749313 1037166562 /nfs/dbraw/zinc/16/65/62/1037166562.db2.gz RELGLYWFMFOOFX-SSDOTTSWSA-N -2 3 370.313 2.661 20 30 FFEDHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N([O-])Cc1ccccc1Cl ZINC001559033779 1076118190 /nfs/dbraw/zinc/11/81/90/1076118190.db2.gz XKBDFTVXIYBVBL-NSHDSACASA-N -2 3 352.740 2.761 20 30 FFEDHL C=CCOC[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001588859736 1080220743 /nfs/dbraw/zinc/22/07/43/1080220743.db2.gz VKPWZMWZMHUISG-MRXNPFEDSA-N -2 3 357.362 2.570 20 30 FFEDHL CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cccc([O-])c2Cl)o1 ZINC001589664687 1080658760 /nfs/dbraw/zinc/65/87/60/1080658760.db2.gz UURZNPFHGWEQDT-UHFFFAOYSA-N -2 3 361.793 2.858 20 30 FFEDHL [O-]c1ccc(Br)c(C=Nn2c(=S)[n-]nc2C(F)(F)F)c1 ZINC000254819032 509910118 /nfs/dbraw/zinc/91/01/18/509910118.db2.gz OOKDCMWGQIXJLD-UHFFFAOYSA-N -2 3 367.150 2.936 20 30 FFEDHL N#CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000477611496 515526183 /nfs/dbraw/zinc/52/61/83/515526183.db2.gz PPJAVOCLFLHDGJ-UHFFFAOYSA-N 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O=C(C=Cc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401303 948222898 /nfs/dbraw/zinc/22/28/98/948222898.db2.gz VDJMCQKVOTTZOQ-ORCRQEGFSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401303 948222907 /nfs/dbraw/zinc/22/29/07/948222907.db2.gz VDJMCQKVOTTZOQ-ORCRQEGFSA-N -2 3 355.285 2.516 20 30 FFEDHL N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC001251572223 1039185998 /nfs/dbraw/zinc/18/59/98/1039185998.db2.gz ULHIOCGRCSPKQJ-UHFFFAOYSA-N -2 3 353.197 2.827 20 30 FFEDHL C[C@@](C#N)([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC001260230106 1040477247 /nfs/dbraw/zinc/47/72/47/1040477247.db2.gz FVTCKCMCSBDPLB-INIZCTEOSA-N -2 3 364.810 2.755 20 30 FFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(Cl)c1 ZINC000322886056 511827575 /nfs/dbraw/zinc/82/75/75/511827575.db2.gz WLSJAMTYDIARGR-UHFFFAOYSA-N -2 3 353.743 2.626 20 30 FFEDHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CC(=O)[O-] ZINC000548528287 517037508 /nfs/dbraw/zinc/03/75/08/517037508.db2.gz AJTJGEXGZXPXNU-LLVKDONJSA-N -2 3 358.847 2.627 20 30 FFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-] ZINC000594670867 520075790 /nfs/dbraw/zinc/07/57/90/520075790.db2.gz AGIZNCPPXRZQSK-UHFFFAOYSA-N -2 3 352.437 2.613 20 30 FFEDHL C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593944867 521306842 /nfs/dbraw/zinc/30/68/42/521306842.db2.gz NOJGLOJOHOZHDC-ADEWGFFLSA-N -2 3 370.858 2.625 20 30 FFEDHL C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593944335 521307239 /nfs/dbraw/zinc/30/72/39/521307239.db2.gz IXJQYVLPDWGAAR-ZMLRMANQSA-N -2 3 370.858 2.625 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738230911 600448527 /nfs/dbraw/zinc/44/85/27/600448527.db2.gz UEMBGIVFKWKKSB-QGZVFWFLSA-N -2 3 372.352 2.717 20 30 FFEDHL C=CCC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC000833372963 605050355 /nfs/dbraw/zinc/05/03/55/605050355.db2.gz BWMHQFXREHOCLU-LBPRGKRZSA-N -2 3 352.437 2.827 20 30 FFEDHL CCCCCCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000792561153 739682826 /nfs/dbraw/zinc/68/28/26/739682826.db2.gz DKYNNJBNZIJAPU-NSHDSACASA-N -2 3 365.883 2.556 20 30 FFEDHL CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001593864010 996664575 /nfs/dbraw/zinc/66/45/75/996664575.db2.gz NYYPYVNYCSZVLR-ZDUSSCGKSA-N -2 3 363.222 2.662 20 30 FFEDHL COc1cccc(NC(=O)c2cc([O-])c(Br)c([O-])c2)c1C#N ZINC001148988866 1001248963 /nfs/dbraw/zinc/24/89/63/1001248963.db2.gz ZWJPQXUSQDWNAZ-UHFFFAOYSA-N -2 3 363.167 2.993 20 30 FFEDHL N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1F ZINC001188308573 1006528829 /nfs/dbraw/zinc/52/88/29/1006528829.db2.gz KOHALGKLRDQNQG-UHFFFAOYSA-N -2 3 372.736 2.989 20 30 FFEDHL O=C1C=C[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)C1 ZINC001225627964 1034341945 /nfs/dbraw/zinc/34/19/45/1034341945.db2.gz LTNZEJCYZSKJME-CQSZACIVSA-N -2 3 366.325 2.853 20 30 FFEDHL C=CCCC[C@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)C(=O)[O-] ZINC001573367440 1077684273 /nfs/dbraw/zinc/68/42/73/1077684273.db2.gz VXCIGKCETIFPST-ZDUSSCGKSA-N -2 3 366.464 2.898 20 30 FFEDHL C[C@H](Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1)C(=O)[O-] ZINC001590022912 1080948851 /nfs/dbraw/zinc/94/88/51/1080948851.db2.gz IXJKNAJUHNZEMF-QNCMIEPLSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@H](Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1)C(=O)[O-] ZINC001590022912 1080948857 /nfs/dbraw/zinc/94/88/57/1080948857.db2.gz IXJKNAJUHNZEMF-QNCMIEPLSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)(CC(=O)[O-])C1 ZINC000547892769 516623231 /nfs/dbraw/zinc/62/32/31/516623231.db2.gz LEVXPIIGDWYJHJ-MEDUHNTESA-N -2 3 370.858 2.771 20 30 FFEDHL CC1(C)CC[C@]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)(C(=O)[O-])C1 ZINC000552001656 517018403 /nfs/dbraw/zinc/01/84/03/517018403.db2.gz WRLWVJHFWQRTTJ-OAHLLOKOSA-N -2 3 356.831 2.523 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000832843079 600700188 /nfs/dbraw/zinc/70/01/88/600700188.db2.gz PAJAHFATQXAGIU-UHFFFAOYSA-N -2 3 364.361 2.809 20 30 FFEDHL C=CCOC(=O)c1sc2[n-]c(-c3cc(C(=O)[O-])ccn3)nc(=O)c2c1C ZINC000825692145 604970779 /nfs/dbraw/zinc/97/07/79/604970779.db2.gz KNOKPRAHOGXZJF-UHFFFAOYSA-N -2 3 371.374 2.808 20 30 FFEDHL O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(Cl)ccc1[O-] ZINC000822934657 606857609 /nfs/dbraw/zinc/85/76/09/606857609.db2.gz AWKDTFZHNPOABR-HYXAFXHYSA-N -2 3 366.768 2.770 20 30 FFEDHL O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(Cl)ccc1[O-] ZINC000822934657 606857610 /nfs/dbraw/zinc/85/76/10/606857610.db2.gz AWKDTFZHNPOABR-HYXAFXHYSA-N -2 3 366.768 2.770 20 30 FFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1)C(=O)[O-] ZINC000824738501 607884613 /nfs/dbraw/zinc/88/46/13/607884613.db2.gz PIXUPCXAABRWFQ-ZWLSGLHFSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824738501 607884614 /nfs/dbraw/zinc/88/46/14/607884614.db2.gz PIXUPCXAABRWFQ-ZWLSGLHFSA-N -2 3 364.361 2.615 20 30 FFEDHL Cc1c(C(=O)[O-])oc2c1C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000826234689 608877075 /nfs/dbraw/zinc/87/70/75/608877075.db2.gz JKXUHTZBXYDXBH-UXBLZVDNSA-N -2 3 368.324 2.818 20 30 FFEDHL Cc1c(C(=O)[O-])oc2c1C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000826234689 608877079 /nfs/dbraw/zinc/87/70/79/608877079.db2.gz JKXUHTZBXYDXBH-UXBLZVDNSA-N -2 3 368.324 2.818 20 30 FFEDHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000826278894 609528025 /nfs/dbraw/zinc/52/80/25/609528025.db2.gz XRQQXWRDRHQSTA-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL C#CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1 ZINC000793392865 739776702 /nfs/dbraw/zinc/77/67/02/739776702.db2.gz VRAXERZNUPPVGR-UHFFFAOYSA-N -2 3 363.366 2.645 20 30 FFEDHL C=C(C)CO[N-]C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000846536947 748498446 /nfs/dbraw/zinc/49/84/46/748498446.db2.gz CGIDNSLZLQGBDT-UHFFFAOYSA-N -2 3 361.467 2.870 20 30 FFEDHL CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001593864009 996664593 /nfs/dbraw/zinc/66/45/93/996664593.db2.gz NYYPYVNYCSZVLR-CYBMUJFWSA-N -2 3 363.222 2.662 20 30 FFEDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)cc1C(=O)[O-] ZINC001184696682 1002686084 /nfs/dbraw/zinc/68/60/84/1002686084.db2.gz INMKWZRXYXPPPF-UHFFFAOYSA-N -2 3 352.318 2.644 20 30 FFEDHL C#Cc1cc([N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)ccc1F ZINC001192649397 1004219294 /nfs/dbraw/zinc/21/92/94/1004219294.db2.gz YZYGBSOMZZRNHR-UHFFFAOYSA-N -2 3 363.366 2.705 20 30 FFEDHL N#Cc1cnn(-c2ccc(Cl)cc2)c1[N-]S(=O)(=O)c1ccc([O-])cc1 ZINC001195767620 1005034501 /nfs/dbraw/zinc/03/45/01/1005034501.db2.gz QSWFYSZCYFPMCS-UHFFFAOYSA-N -2 3 374.809 2.904 20 30 FFEDHL CCc1oc(C)c([O-])c1Oc1c([O-])cc(Br)cc1C(=O)OC ZINC001229585795 1036764857 /nfs/dbraw/zinc/76/48/57/1036764857.db2.gz UHPVAVVNRZLXLN-ZETCQYMHSA-N -2 3 371.183 2.930 20 30 FFEDHL N#Cc1ccc(-c2noc(-c3cc([O-])c(Br)c([O-])c3)n2)nc1 ZINC001215476058 1041797985 /nfs/dbraw/zinc/79/79/85/1041797985.db2.gz MRKCGRSLKUEVDG-UHFFFAOYSA-N -2 3 359.139 2.844 20 30 FFEDHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)cc(C(=O)[O-])c1F ZINC001323947809 1045786267 /nfs/dbraw/zinc/78/62/67/1045786267.db2.gz SKXYUYMLYVTSJM-UHFFFAOYSA-N -2 3 364.354 2.536 20 30 FFEDHL CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000026547856 507597774 /nfs/dbraw/zinc/59/77/74/507597774.db2.gz OFSYDEHOFDJGIW-UHFFFAOYSA-N -2 3 361.379 2.902 20 30 FFEDHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(C)c1CC(=O)[O-] ZINC000181198195 510298649 /nfs/dbraw/zinc/29/86/49/510298649.db2.gz WDAAQNQYKNHTKV-UHFFFAOYSA-N -2 3 358.419 2.911 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000548264109 516857373 /nfs/dbraw/zinc/85/73/73/516857373.db2.gz NXEUUQVIPIPKBT-GXTWGEPZSA-N -2 3 370.858 2.914 20 30 FFEDHL C[C@H]1CCC[C@]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)(C(=O)[O-])C1 ZINC000548770856 517204238 /nfs/dbraw/zinc/20/42/38/517204238.db2.gz HVHHUNWQTYYGRB-ZUZCIYMTSA-N -2 3 356.831 2.523 20 30 FFEDHL C=CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000564809058 518625649 /nfs/dbraw/zinc/62/56/49/518625649.db2.gz KRLFROZXIUSPNX-VIFPVBQESA-N -2 3 369.773 2.639 20 30 FFEDHL COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc([O-])cc(C#N)c2)[nH][n-]1 ZINC000589175578 518940630 /nfs/dbraw/zinc/94/06/30/518940630.db2.gz SHROXKNJDBBRLO-UHFFFAOYSA-N -2 3 368.780 2.990 20 30 FFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C1([C@H](C)C(=O)[O-])CC1 ZINC000594681388 520082153 /nfs/dbraw/zinc/08/21/53/520082153.db2.gz NVGGWNCJXKTQCW-SNVBAGLBSA-N -2 3 364.448 2.613 20 30 FFEDHL CCc1oc(C(=O)[O-])cc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000830384424 601460015 /nfs/dbraw/zinc/46/00/15/601460015.db2.gz QVFZGSXLQBUSDH-UHFFFAOYSA-N -2 3 372.377 2.805 20 30 FFEDHL Cc1c(C(=O)[O-])oc2c1C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000826234688 608876937 /nfs/dbraw/zinc/87/69/37/608876937.db2.gz JKXUHTZBXYDXBH-POHAHGRESA-N -2 3 368.324 2.818 20 30 FFEDHL Cc1c(C(=O)[O-])oc2c1C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000826234688 608876941 /nfs/dbraw/zinc/87/69/41/608876941.db2.gz JKXUHTZBXYDXBH-POHAHGRESA-N -2 3 368.324 2.818 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(C(=O)[O-])c1 ZINC001599941318 985458004 /nfs/dbraw/zinc/45/80/04/985458004.db2.gz HUQQBSCIDWBXSX-UHFFFAOYSA-N -2 3 354.362 2.650 20 30 FFEDHL N#Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1N1CCCC1 ZINC001198782926 1004727015 /nfs/dbraw/zinc/72/70/15/1004727015.db2.gz RROMWZGHUQYFJK-UHFFFAOYSA-N -2 3 371.418 2.657 20 30 FFEDHL C#C[C@H](C)Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12 ZINC001229440222 1036674541 /nfs/dbraw/zinc/67/45/41/1036674541.db2.gz DXLIRBGQQAJGMK-VIFPVBQESA-N -2 3 354.314 2.683 20 30 FFEDHL N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(F)c1Cl ZINC001260190509 1040446576 /nfs/dbraw/zinc/44/65/76/1040446576.db2.gz PGIPZZZEGIUVSV-UHFFFAOYSA-N -2 3 354.746 2.850 20 30 FFEDHL N#CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001318766060 1044861705 /nfs/dbraw/zinc/86/17/05/1044861705.db2.gz SJVKVJLKECOBBQ-UHFFFAOYSA-N -2 3 366.782 2.741 20 30 FFEDHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(CC#N)cc2)c(C(=O)[O-])c1 ZINC001320568351 1045429515 /nfs/dbraw/zinc/42/95/15/1045429515.db2.gz TVPOOOFZROPXHQ-UHFFFAOYSA-N -2 3 360.391 2.569 20 30 FFEDHL O=C(/C=C/c1ccc([O-])c(F)c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000270010175 510637719 /nfs/dbraw/zinc/63/77/19/510637719.db2.gz FJBXRAMJZMOYSJ-DAFODLJHSA-N -2 3 357.381 2.965 20 30 FFEDHL CC(C)(CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CCC(=O)[O-] ZINC000391047891 512913707 /nfs/dbraw/zinc/91/37/07/512913707.db2.gz FSQUGMXNNBMASJ-UHFFFAOYSA-N -2 3 358.847 2.771 20 30 FFEDHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1C(=O)[O-] ZINC000431194429 513849189 /nfs/dbraw/zinc/84/91/89/513849189.db2.gz TVMCWJXFTZLOHQ-UHFFFAOYSA-N -2 3 360.391 2.764 20 30 FFEDHL CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000537196971 517081526 /nfs/dbraw/zinc/08/15/26/517081526.db2.gz BZYWWOKYTRQUAO-UHFFFAOYSA-N -2 3 361.423 2.895 20 30 FFEDHL C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593942984 521307315 /nfs/dbraw/zinc/30/73/15/521307315.db2.gz BEMNYAIQXRMCKK-ZMLRMANQSA-N -2 3 370.858 2.625 20 30 FFEDHL N#CCc1cccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000619470282 521584996 /nfs/dbraw/zinc/58/49/96/521584996.db2.gz FMXIFRDSYFONKN-UHFFFAOYSA-N -2 3 352.318 2.530 20 30 FFEDHL O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000823503812 599117335 /nfs/dbraw/zinc/11/73/35/599117335.db2.gz JEBDFXDAUQDJKJ-GHXNOFRVSA-N -2 3 363.333 2.693 20 30 FFEDHL O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000823503812 599117337 /nfs/dbraw/zinc/11/73/37/599117337.db2.gz JEBDFXDAUQDJKJ-GHXNOFRVSA-N -2 3 363.333 2.693 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738230857 600114791 /nfs/dbraw/zinc/11/47/91/600114791.db2.gz SIFTWWAVPYZOJO-UHFFFAOYSA-N -2 3 364.361 2.809 20 30 FFEDHL O=C(C=Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000826399812 609270559 /nfs/dbraw/zinc/27/05/59/609270559.db2.gz GXCPTXLWQDFFGD-QHHAFSJGSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000826399812 609270560 /nfs/dbraw/zinc/27/05/60/609270560.db2.gz GXCPTXLWQDFFGD-QHHAFSJGSA-N -2 3 355.285 2.516 20 30 FFEDHL C=CCn1c(=O)c2ccc(C(=O)Nc3ncccc3[O-])cc2[n-]c1=S ZINC000022263737 727837095 /nfs/dbraw/zinc/83/70/95/727837095.db2.gz KIEKCPMUICWOBJ-UHFFFAOYSA-N -2 3 354.391 2.598 20 30 FFEDHL C=CCn1c(-c2sc(NC(=O)c3cncc([O-])c3)nc2C)n[n-]c1=S ZINC000109942241 728529928 /nfs/dbraw/zinc/52/99/28/728529928.db2.gz LQLHQXVZCWJPLR-UHFFFAOYSA-N -2 3 374.451 2.912 20 30 FFEDHL N#CC1(c2ccc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)nc2)CC1 ZINC001167933034 978156056 /nfs/dbraw/zinc/15/60/56/978156056.db2.gz GCTJCFAUIAXIIY-UHFFFAOYSA-N -2 3 355.334 2.721 20 30 FFEDHL COc1cc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c(OC)cc1[O-] ZINC000763105563 989040455 /nfs/dbraw/zinc/04/04/55/989040455.db2.gz MMKNZDBIQSXOMT-VMPITWQZSA-N -2 3 358.346 2.769 20 30 FFEDHL N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1F ZINC001186193798 1003215350 /nfs/dbraw/zinc/21/53/50/1003215350.db2.gz WSOJNNWPSGLGHD-UHFFFAOYSA-N -2 3 374.271 2.614 20 30 FFEDHL N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)ccc1Br ZINC001197312066 1004157473 /nfs/dbraw/zinc/15/74/73/1004157473.db2.gz QJIZBTPPODKXOZ-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL C[C@](C#N)([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC001260192522 1040449300 /nfs/dbraw/zinc/44/93/00/1040449300.db2.gz NFBCCWULIBAQNS-MRXNPFEDSA-N -2 3 364.810 2.755 20 30 FFEDHL C=CCCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC001588799012 1080201516 /nfs/dbraw/zinc/20/15/16/1080201516.db2.gz XXXVYLZWUOTPLD-LLVKDONJSA-N -2 3 369.336 2.932 20 30 FFEDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000156461929 508424080 /nfs/dbraw/zinc/42/40/80/508424080.db2.gz NSGFEHIVSYLFEN-UHFFFAOYSA-N -2 3 367.770 2.935 20 30 FFEDHL N#CC1CCC(C[N-]S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC000282277298 510911955 /nfs/dbraw/zinc/91/19/55/510911955.db2.gz VAPSCNCQAXVROC-UHFFFAOYSA-N -2 3 374.821 2.786 20 30 FFEDHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CC(=O)[O-] ZINC000321772383 511821838 /nfs/dbraw/zinc/82/18/38/511821838.db2.gz RMLOMWRIBBVGIR-LBPRGKRZSA-N -2 3 358.847 2.627 20 30 FFEDHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000324002213 511833039 /nfs/dbraw/zinc/83/30/39/511833039.db2.gz GGKZDGKJQCQOTH-UHFFFAOYSA-N -2 3 366.782 2.725 20 30 FFEDHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-] ZINC000485059062 514892152 /nfs/dbraw/zinc/89/21/52/514892152.db2.gz PQROJFQHVJVPAV-LBPRGKRZSA-N -2 3 358.847 2.769 20 30 FFEDHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000548588250 517068892 /nfs/dbraw/zinc/06/88/92/517068892.db2.gz LJIZIURKRORBEI-MFKMUULPSA-N -2 3 358.847 2.769 20 30 FFEDHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)(C(=O)[O-])C1 ZINC000556772183 517647446 /nfs/dbraw/zinc/64/74/46/517647446.db2.gz GVOKTMVOIRZBER-HNNXBMFYSA-N -2 3 356.831 2.523 20 30 FFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)CCC(=O)[O-] ZINC000594672782 520077206 /nfs/dbraw/zinc/07/72/06/520077206.db2.gz BRQURIOQVFFQFP-SECBINFHSA-N -2 3 352.437 2.613 20 30 FFEDHL N#Cc1sccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C1CCC1)C1CCC1 ZINC000593271994 520873467 /nfs/dbraw/zinc/87/34/67/520873467.db2.gz UEFCGIPHZQJOEH-OAHLLOKOSA-N -2 3 368.480 2.568 20 30 FFEDHL O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000823503988 607460724 /nfs/dbraw/zinc/46/07/24/607460724.db2.gz KYJFQVHHTFOXQK-DHZHZOJOSA-N -2 3 363.333 2.693 20 30 FFEDHL O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000823503988 607460725 /nfs/dbraw/zinc/46/07/25/607460725.db2.gz KYJFQVHHTFOXQK-DHZHZOJOSA-N -2 3 363.333 2.693 20 30 FFEDHL Cc1c(C(=O)[O-])oc2c1C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000822020924 606390830 /nfs/dbraw/zinc/39/08/30/606390830.db2.gz NNUFZIMCUJUHGM-VURMDHGXSA-N -2 3 356.363 2.740 20 30 FFEDHL Cc1c(C(=O)C=Cc2cc(F)c([O-])c(F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015841 606627126 /nfs/dbraw/zinc/62/71/26/606627126.db2.gz PVSPFOGRFFVCJX-PLNGDYQASA-N -2 3 371.347 2.803 20 30 FFEDHL Cc1c(C(=O)C=Cc2cc(F)c([O-])c(F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015841 606627127 /nfs/dbraw/zinc/62/71/27/606627127.db2.gz PVSPFOGRFFVCJX-PLNGDYQASA-N -2 3 371.347 2.803 20 30 FFEDHL C[C@@H](Oc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1)C(=O)[O-] ZINC000824737120 608092690 /nfs/dbraw/zinc/09/26/90/608092690.db2.gz BWVYWCJHRDROJT-WWQCOOJYSA-N -2 3 370.390 2.676 20 30 FFEDHL O=C(C=Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000826399811 609270521 /nfs/dbraw/zinc/27/05/21/609270521.db2.gz GXCPTXLWQDFFGD-KXFIGUGUSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000826399811 609270522 /nfs/dbraw/zinc/27/05/22/609270522.db2.gz GXCPTXLWQDFFGD-KXFIGUGUSA-N -2 3 355.285 2.516 20 30 FFEDHL Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826281145 609528071 /nfs/dbraw/zinc/52/80/71/609528071.db2.gz GQXAJJSZGBENJD-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826281145 609528074 /nfs/dbraw/zinc/52/80/74/609528074.db2.gz GQXAJJSZGBENJD-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(Br)cc(F)c1[O-] ZINC000783770780 738835007 /nfs/dbraw/zinc/83/50/07/738835007.db2.gz IBHCWVBNFQXXNG-UHFFFAOYSA-N -2 3 355.167 2.934 20 30 FFEDHL C#CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1 ZINC000763280035 736922337 /nfs/dbraw/zinc/92/23/37/736922337.db2.gz HYESHYMYLGZAEP-UHFFFAOYSA-N -2 3 363.366 2.645 20 30 FFEDHL C=C(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC000806566214 741069547 /nfs/dbraw/zinc/06/95/47/741069547.db2.gz XLSBRPKTWBZGTE-UHFFFAOYSA-N -2 3 353.346 2.655 20 30 FFEDHL O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1=O ZINC001611361324 971004825 /nfs/dbraw/zinc/00/48/25/971004825.db2.gz BEOBPOPPBHAMGI-ITLCVAORSA-N -2 3 372.808 2.891 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001599940832 985452320 /nfs/dbraw/zinc/45/23/20/985452320.db2.gz UTNDRVZYTVWYDC-UHFFFAOYSA-N -2 3 361.442 2.556 20 30 FFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(F)c1F ZINC001188312247 1006506756 /nfs/dbraw/zinc/50/67/56/1006506756.db2.gz ILJLMPVWXJHKKD-UHFFFAOYSA-N -2 3 372.736 2.989 20 30 FFEDHL C#C[C@H](CCC)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229794169 1036902465 /nfs/dbraw/zinc/90/24/65/1036902465.db2.gz ZKGXQGRNICDZJI-LLVKDONJSA-N -2 3 358.346 2.626 20 30 FFEDHL N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC001260855018 1040856067 /nfs/dbraw/zinc/85/60/67/1040856067.db2.gz HHQNPSKJEKWOAX-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL C=CCCC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC001588799003 1080201903 /nfs/dbraw/zinc/20/19/03/1080201903.db2.gz XUDSGTZSLFRBPJ-CYBMUJFWSA-N -2 3 366.464 2.898 20 30 FFEDHL CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc([O-])c(F)c2F)o1 ZINC001589238016 1080439767 /nfs/dbraw/zinc/43/97/67/1080439767.db2.gz KXDAIJJZIBGLRQ-UHFFFAOYSA-N -2 3 363.328 2.582 20 30 FFEDHL CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc([O-])c(F)c2F)o1 ZINC001589238016 1080439774 /nfs/dbraw/zinc/43/97/74/1080439774.db2.gz KXDAIJJZIBGLRQ-UHFFFAOYSA-N -2 3 363.328 2.582 20 30 FFEDHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000436664062 513934899 /nfs/dbraw/zinc/93/48/99/513934899.db2.gz KPEJTALWQMGZLZ-UHFFFAOYSA-N -2 3 366.782 2.505 20 30 FFEDHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1[O-] ZINC000480725997 515059879 /nfs/dbraw/zinc/05/98/79/515059879.db2.gz KTGQISCEPDMGBC-UHFFFAOYSA-N -2 3 365.798 2.676 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C2CCC2)C2CCC2)s1 ZINC000569914176 518352018 /nfs/dbraw/zinc/35/20/18/518352018.db2.gz WOMICFPWRBWNDQ-OAHLLOKOSA-N -2 3 368.480 2.568 20 30 FFEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000580809421 519368280 /nfs/dbraw/zinc/36/82/80/519368280.db2.gz QGEIGJZMRKQVLT-SNVBAGLBSA-N -2 3 372.493 2.878 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000595999260 520848304 /nfs/dbraw/zinc/84/83/04/520848304.db2.gz LEZGUZMAJUIOLK-UHFFFAOYSA-N -2 3 359.426 2.502 20 30 FFEDHL CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(F)cc2[O-])o1 ZINC000735451219 598512326 /nfs/dbraw/zinc/51/23/26/598512326.db2.gz UNQITIZHQXACIR-UHFFFAOYSA-N -2 3 359.365 2.734 20 30 FFEDHL C#CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000825631556 601331599 /nfs/dbraw/zinc/33/15/99/601331599.db2.gz FSOMZXXHOPDZKJ-XGICHPGQSA-N -2 3 357.387 2.597 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832842462 602354275 /nfs/dbraw/zinc/35/42/75/602354275.db2.gz BYAKAHAOEKHOSO-UHFFFAOYSA-N -2 3 357.341 2.684 20 30 FFEDHL O=c1cc(N2CC[C@H](N=Cc3cc(Cl)cc(Cl)c3[O-])C2)nc[n-]1 ZINC000899232216 735462487 /nfs/dbraw/zinc/46/24/87/735462487.db2.gz LGCIMYRHTJMKSS-XKRMMWHISA-N -2 3 353.209 2.892 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncc(C(=O)[O-])cc1Cl ZINC001599941464 985459852 /nfs/dbraw/zinc/45/98/52/985459852.db2.gz LVIAFXSYRDLBIH-UHFFFAOYSA-N -2 3 374.784 2.594 20 30 FFEDHL COc1ccc(C#N)cc1NC(=O)c1cc([O-])c(Br)c([O-])c1 ZINC001148987958 1001248222 /nfs/dbraw/zinc/24/82/22/1001248222.db2.gz HYXLQDXVEHDFCU-UHFFFAOYSA-N -2 3 363.167 2.993 20 30 FFEDHL N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1cc(F)cc(Br)c1 ZINC001193799393 1004585004 /nfs/dbraw/zinc/58/50/04/1004585004.db2.gz MXVKZZGNWCZDGW-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL C#C[C@H](C)Oc1c(-c2cc(O)c([O-])c(O)c2)oc2cc([O-])ccc2c1=O ZINC001227647631 1035656004 /nfs/dbraw/zinc/65/60/04/1035656004.db2.gz CCYKBYJKUNUBAL-VIFPVBQESA-N -2 3 354.314 2.683 20 30 FFEDHL C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228969948 1036441473 /nfs/dbraw/zinc/44/14/73/1036441473.db2.gz FEHRGCRHYZZNHG-AWEZNQCLSA-N -2 3 366.370 2.950 20 30 FFEDHL COc1cc([O-])cc2oc3cc([O-])c(O[C@H]4C=CC(=O)C4)cc3c(=O)c12 ZINC001234796177 1037183474 /nfs/dbraw/zinc/18/34/74/1037183474.db2.gz LAQZROIDBPDGHV-NSHDSACASA-N -2 3 354.314 2.642 20 30 FFEDHL C=C(C)C[C@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC001588555867 1080094797 /nfs/dbraw/zinc/09/47/97/1080094797.db2.gz VHDPGFQVFSKMEJ-ZDUSSCGKSA-N -2 3 366.464 2.816 20 30 FFEDHL CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC001588781001 1080192908 /nfs/dbraw/zinc/19/29/08/1080192908.db2.gz WKWLTUVPWIYFOY-GFCCVEGCSA-N -2 3 366.381 2.555 20 30 FFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000580877639 519402950 /nfs/dbraw/zinc/40/29/50/519402950.db2.gz DIHAQHJYPYFYHV-QMMMGPOBSA-N -2 3 368.274 2.517 20 30 FFEDHL N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000131427672 508930312 /nfs/dbraw/zinc/93/03/12/508930312.db2.gz DMTVECDMHRAKIM-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c(C)c1CC(=O)[O-] ZINC000181201523 510299311 /nfs/dbraw/zinc/29/93/11/510299311.db2.gz BVGCVGSUVKIXOE-UHFFFAOYSA-N -2 3 358.419 2.911 20 30 FFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(Cl)c1 ZINC000322883166 511827511 /nfs/dbraw/zinc/82/75/11/511827511.db2.gz VPPMXEIUULEYGV-UHFFFAOYSA-N -2 3 350.783 2.640 20 30 FFEDHL C[C@@H](Cc1ccc([N-]S(=O)(=O)CC2(C#N)CCCC2)cc1)C(=O)[O-] ZINC000547934050 516641029 /nfs/dbraw/zinc/64/10/29/516641029.db2.gz AOJKYFLGQUERCN-ZDUSSCGKSA-N -2 3 350.440 2.775 20 30 FFEDHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)(CC(=O)[O-])C1 ZINC000548545879 517046805 /nfs/dbraw/zinc/04/68/05/517046805.db2.gz WWUCZKJZGHXCQO-MEDUHNTESA-N -2 3 370.858 2.771 20 30 FFEDHL CC(C)[C@H]1C[C@@]([N-]S(=O)(=O)c2ccc(C#N)o2)(C(=O)[O-])c2ccccc21 ZINC000548769552 517203940 /nfs/dbraw/zinc/20/39/40/517203940.db2.gz BDRXMXVLXDERJP-KDOFPFPSSA-N -2 3 374.418 2.553 20 30 FFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C ZINC000594672800 520076537 /nfs/dbraw/zinc/07/65/37/520076537.db2.gz CKMOOKBJVVZYLR-ZDUSSCGKSA-N -2 3 366.464 2.859 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832842823 601075865 /nfs/dbraw/zinc/07/58/65/601075865.db2.gz KPZZSIRNVNKQEO-KRWDZBQOSA-N -2 3 372.352 2.717 20 30 FFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1)C(=O)[O-] ZINC000820535732 606390414 /nfs/dbraw/zinc/39/04/14/606390414.db2.gz QMRZLTDJADHCHR-BREXMAIKSA-N -2 3 370.390 2.676 20 30 FFEDHL C[C@@H](Oc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1)C(=O)[O-] ZINC000824737113 608092494 /nfs/dbraw/zinc/09/24/94/608092494.db2.gz BWVYWCJHRDROJT-BRAIEQGRSA-N -2 3 370.390 2.676 20 30 FFEDHL C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000863420675 730778962 /nfs/dbraw/zinc/77/89/62/730778962.db2.gz QMEREGQOWFTUQV-ZCFIWIBFSA-N -2 3 363.766 2.641 20 30 FFEDHL CCC(=NNc1nnc(C)c(=O)[n-]1)c1cc(Br)ccc1[O-] ZINC000916582062 737712519 /nfs/dbraw/zinc/71/25/19/737712519.db2.gz BYGDZTAQQXGTKN-UHFFFAOYSA-N -2 3 352.192 2.580 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001599941321 985458270 /nfs/dbraw/zinc/45/82/70/985458270.db2.gz IEGWJARQHXLNDN-UHFFFAOYSA-N -2 3 374.784 2.594 20 30 FFEDHL N#Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])s1 ZINC001251439214 1039132060 /nfs/dbraw/zinc/13/20/60/1039132060.db2.gz PSTWZQRKCPBXMV-UHFFFAOYSA-N -2 3 364.235 2.506 20 30 FFEDHL C=C[C@H](C)O[N-]C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001583408434 1079209762 /nfs/dbraw/zinc/20/97/62/1079209762.db2.gz MYFWFKFPFOULTG-LBPRGKRZSA-N -2 3 366.464 2.714 20 30 FFEDHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C#N)c([O-])c3)c2)n1 ZINC000190707709 510296408 /nfs/dbraw/zinc/29/64/08/510296408.db2.gz FCLWWFIJZXIDRM-UHFFFAOYSA-N -2 3 360.373 2.829 20 30 FFEDHL N#Cc1cccc(-c2cc(C(=O)[N-]c3n[n-]c(-c4ccccn4)n3)on2)c1 ZINC000436435575 513854686 /nfs/dbraw/zinc/85/46/86/513854686.db2.gz TXYYBFXBRRNJFT-UHFFFAOYSA-N -2 3 357.333 2.646 20 30 FFEDHL C[C@H](Cc1ccc([N-]S(=O)(=O)CC2(C#N)CCCC2)cc1)C(=O)[O-] ZINC000547934049 516641273 /nfs/dbraw/zinc/64/12/73/516641273.db2.gz AOJKYFLGQUERCN-CYBMUJFWSA-N -2 3 350.440 2.775 20 30 FFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000572958527 518439882 /nfs/dbraw/zinc/43/98/82/518439882.db2.gz KVJFOGWNJMOTNN-SMDDNHRTSA-N -2 3 370.858 2.914 20 30 FFEDHL C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593944868 521307598 /nfs/dbraw/zinc/30/75/98/521307598.db2.gz NOJGLOJOHOZHDC-ZMLRMANQSA-N -2 3 370.858 2.625 20 30 FFEDHL Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822016402 607255064 /nfs/dbraw/zinc/25/50/64/607255064.db2.gz ZZWZWZYQOSMFAB-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL Cc1c(C(=O)C=Cc2ccc(C(=O)[O-])cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203910 598378792 /nfs/dbraw/zinc/37/87/92/598378792.db2.gz WMYMFEHPHXXEFQ-TWGQIWQCSA-N -2 3 363.377 2.517 20 30 FFEDHL Cc1c(C(=O)C=Cc2ccc(C(=O)[O-])cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203910 598378794 /nfs/dbraw/zinc/37/87/94/598378794.db2.gz WMYMFEHPHXXEFQ-TWGQIWQCSA-N -2 3 363.377 2.517 20 30 FFEDHL C#CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000730996428 601829309 /nfs/dbraw/zinc/82/93/09/601829309.db2.gz PMLIZEYWRSMMPG-UHFFFAOYSA-N -2 3 365.794 2.851 20 30 FFEDHL CC(=NNc1cccc(C(=O)[O-])c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000833386977 605593383 /nfs/dbraw/zinc/59/33/83/605593383.db2.gz HULBNYSUXSQJIT-UHFFFAOYSA-N -2 3 369.421 2.759 20 30 FFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1)C(=O)[O-] ZINC000824738499 607884574 /nfs/dbraw/zinc/88/45/74/607884574.db2.gz PIXUPCXAABRWFQ-VMPCVLLUSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824738499 607884575 /nfs/dbraw/zinc/88/45/75/607884575.db2.gz PIXUPCXAABRWFQ-VMPCVLLUSA-N -2 3 364.361 2.615 20 30 FFEDHL O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826400444 607982981 /nfs/dbraw/zinc/98/29/81/607982981.db2.gz ZEGNBCBDBDBPLV-HWKANZROSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826400444 607982982 /nfs/dbraw/zinc/98/29/82/607982982.db2.gz ZEGNBCBDBDBPLV-HWKANZROSA-N -2 3 355.285 2.516 20 30 FFEDHL Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826281454 743376498 /nfs/dbraw/zinc/37/64/98/743376498.db2.gz SQQKFYZZPOCKRT-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL N#Cc1c(F)ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1F ZINC001192139305 1004077148 /nfs/dbraw/zinc/07/71/48/1004077148.db2.gz NPNSWZKJJMLLPN-UHFFFAOYSA-N -2 3 366.345 2.654 20 30 FFEDHL CCC#C[C@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790921 1036900268 /nfs/dbraw/zinc/90/02/68/1036900268.db2.gz KVACYRBVVSHXAC-JTQLQIEISA-N -2 3 358.346 2.626 20 30 FFEDHL N#Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1N1CCCC1 ZINC001260227421 1040475776 /nfs/dbraw/zinc/47/57/76/1040475776.db2.gz IKHDNFJBHPIZTI-UHFFFAOYSA-N -2 3 371.418 2.657 20 30 FFEDHL C[C@H](Oc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1)C(=O)[O-] ZINC001590023502 1080948516 /nfs/dbraw/zinc/94/85/16/1080948516.db2.gz NPHMYFGCMLWMIK-PMDBQALLSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@H](Oc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1)C(=O)[O-] ZINC001590023502 1080948521 /nfs/dbraw/zinc/94/85/21/1080948521.db2.gz NPHMYFGCMLWMIK-PMDBQALLSA-N -2 3 364.361 2.615 20 30 FFEDHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-] ZINC000548596297 517075611 /nfs/dbraw/zinc/07/56/11/517075611.db2.gz JPPZAJIRUIZMTM-GWCFXTLKSA-N -2 3 358.847 2.769 20 30 FFEDHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000563493997 517935423 /nfs/dbraw/zinc/93/54/23/517935423.db2.gz SRMMVJRZKRQUQQ-SNVBAGLBSA-N -2 3 358.847 2.769 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CCC(=O)[O-])c(Cl)c1 ZINC000517014351 517975614 /nfs/dbraw/zinc/97/56/14/517975614.db2.gz LDJKSWDPYUKIOJ-GXTWGEPZSA-N -2 3 370.858 2.914 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000570719646 518747726 /nfs/dbraw/zinc/74/77/26/518747726.db2.gz RCKICLXHKHUSTL-HNNXBMFYSA-N -2 3 361.442 2.604 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000479649043 561194074 /nfs/dbraw/zinc/19/40/74/561194074.db2.gz AMBLAUHFCUGSEG-UHFFFAOYSA-N -2 3 353.304 2.589 20 30 FFEDHL CSc1ccc([C@H](CC(=O)[O-])/N=C\c2c([O-])c(C)ncc2CO)cc1 ZINC000738199494 599842917 /nfs/dbraw/zinc/84/29/17/599842917.db2.gz MOSMDKPKOPIHIZ-DMOKECBHSA-N -2 3 360.435 2.945 20 30 FFEDHL CSc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000792703018 739695823 /nfs/dbraw/zinc/69/58/23/739695823.db2.gz NWNXAJCVOBMOBT-UHFFFAOYSA-N -2 3 365.392 2.695 20 30 FFEDHL N#Cc1cc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)ccc1[O-] ZINC001193796306 1004584165 /nfs/dbraw/zinc/58/41/65/1004584165.db2.gz SQOAEDXBOZBFTJ-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL COc1cc(C#N)c(F)cc1NC(=O)c1cc(=O)c2cccc([O-])c2[n-]1 ZINC001152680856 1032215537 /nfs/dbraw/zinc/21/55/37/1032215537.db2.gz XYMSJYFCASHESU-UHFFFAOYSA-N -2 3 353.309 2.918 20 30 FFEDHL CC[C@H](C#CC(=O)OC)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227310563 1035502961 /nfs/dbraw/zinc/50/29/61/1035502961.db2.gz VQBJHMAMJOFKEO-LLVKDONJSA-N -2 3 368.341 2.691 20 30 FFEDHL C#C[C@@H](CC(C)C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229792723 1036899078 /nfs/dbraw/zinc/89/90/78/1036899078.db2.gz SJXBWBUNEHOJAG-LBPRGKRZSA-N -2 3 372.373 2.872 20 30 FFEDHL C=C1O[C@H](C)C(=O)C1Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001234124866 1036928397 /nfs/dbraw/zinc/92/83/97/1036928397.db2.gz LYAXKROGRKECJP-SSDOTTSWSA-N -2 3 370.313 2.661 20 30 FFEDHL CC[C@@H](C#CC(=O)OC)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234744656 1037162648 /nfs/dbraw/zinc/16/26/48/1037162648.db2.gz WHJWNSVYGASUAW-LBPRGKRZSA-N -2 3 368.341 2.691 20 30 FFEDHL C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC001588555618 1080093589 /nfs/dbraw/zinc/09/35/89/1080093589.db2.gz NNOYJDRWAUNEFQ-MRVPVSSYSA-N -2 3 368.274 2.517 20 30 FFEDHL COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc(C#N)c([O-])c2)[nH][n-]1 ZINC000443357213 513949436 /nfs/dbraw/zinc/94/94/36/513949436.db2.gz KQQWKTMCZZZJTJ-UHFFFAOYSA-N -2 3 368.780 2.990 20 30 FFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000547866502 516609486 /nfs/dbraw/zinc/60/94/86/516609486.db2.gz STHVJAFPWOTTFJ-LBPRGKRZSA-N -2 3 370.839 2.767 20 30 FFEDHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)(CC(=O)[O-])C1 ZINC000547892768 516622590 /nfs/dbraw/zinc/62/25/90/516622590.db2.gz LEVXPIIGDWYJHJ-BZNIZROVSA-N -2 3 370.858 2.771 20 30 FFEDHL COc1cc(C)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C(=O)[O-])c1 ZINC000619463667 521581011 /nfs/dbraw/zinc/58/10/11/521581011.db2.gz LPWCBTJVGVTNFT-UHFFFAOYSA-N -2 3 360.391 2.569 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H](CC(C)C)NC(=O)[O-])no1 ZINC000740028350 602410664 /nfs/dbraw/zinc/41/06/64/602410664.db2.gz OXJWAMFSHKBEPD-AWEZNQCLSA-N -2 3 373.413 2.799 20 30 FFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1)C(=O)[O-] ZINC000824738498 607884598 /nfs/dbraw/zinc/88/45/98/607884598.db2.gz PIXUPCXAABRWFQ-PRDAAYKISA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824738498 607884599 /nfs/dbraw/zinc/88/45/99/607884599.db2.gz PIXUPCXAABRWFQ-PRDAAYKISA-N -2 3 364.361 2.615 20 30 FFEDHL C=C(Cl)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000863420669 730778959 /nfs/dbraw/zinc/77/89/59/730778959.db2.gz QMEREGQOWFTUQV-LURJTMIESA-N -2 3 363.766 2.641 20 30 FFEDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000766047037 737186446 /nfs/dbraw/zinc/18/64/46/737186446.db2.gz CCMKARLMSRJJLI-UHFFFAOYSA-N -2 3 352.318 2.545 20 30 FFEDHL Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC001185613199 1003004522 /nfs/dbraw/zinc/00/45/22/1003004522.db2.gz ZOOOGRIUVHMRHL-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001185613199 1003004534 /nfs/dbraw/zinc/00/45/34/1003004534.db2.gz ZOOOGRIUVHMRHL-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL COC(=O)c1scc(C#N)c1NC(=O)c1cc(=O)c2cccc([O-])c2[n-]1 ZINC001152669343 1032211922 /nfs/dbraw/zinc/21/19/22/1032211922.db2.gz HCELZMHYXARTLK-UHFFFAOYSA-N -2 3 369.358 2.618 20 30 FFEDHL N#Cc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)s1 ZINC001259224265 1039816835 /nfs/dbraw/zinc/81/68/35/1039816835.db2.gz YMKPLMCMQXOIQD-UHFFFAOYSA-N -2 3 374.802 2.589 20 30 FFEDHL CCOC(=O)c1cc(C#N)c([N-]S(=O)(=O)c2ccccc2C)c(C)c1[O-] ZINC001254601661 1040832370 /nfs/dbraw/zinc/83/23/70/1040832370.db2.gz AYQIPZXHNCWDSM-UHFFFAOYSA-N -2 3 374.418 2.858 20 30 FFEDHL C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C)cc2-c2nn[n-]n2)c1 ZINC001588689748 1080156646 /nfs/dbraw/zinc/15/66/46/1080156646.db2.gz LWYNZALQYPBGKN-UHFFFAOYSA-N -2 3 371.422 2.541 20 30 FFEDHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)(CC(=O)[O-])C1 ZINC000548551507 517049895 /nfs/dbraw/zinc/04/98/95/517049895.db2.gz ZYVVPENNYFAGTP-ZBEGNZNMSA-N -2 3 370.858 2.771 20 30 FFEDHL C=CCC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000584695563 518432250 /nfs/dbraw/zinc/43/22/50/518432250.db2.gz QCBFANXSTBVLIB-LBPRGKRZSA-N -2 3 352.437 2.508 20 30 FFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000590898821 519425304 /nfs/dbraw/zinc/42/53/04/519425304.db2.gz MOUXIJBUKOJMTG-FZMZJTMJSA-N -2 3 370.858 2.914 20 30 FFEDHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000594848943 520186292 /nfs/dbraw/zinc/18/62/92/520186292.db2.gz ZUARWJKINRRKQS-YGRLFVJLSA-N -2 3 370.858 2.769 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832842824 601075841 /nfs/dbraw/zinc/07/58/41/601075841.db2.gz KPZZSIRNVNKQEO-QGZVFWFLSA-N -2 3 372.352 2.717 20 30 FFEDHL CC(C)(C#N)CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000753524806 736075226 /nfs/dbraw/zinc/07/52/26/736075226.db2.gz YHCYXFGWPYCLCL-UHFFFAOYSA-N -2 3 351.211 2.983 20 30 FFEDHL CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000840896668 747217785 /nfs/dbraw/zinc/21/77/85/747217785.db2.gz LDXMQXACSFXQTF-UHFFFAOYSA-N -2 3 365.238 2.910 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001599940559 985449188 /nfs/dbraw/zinc/44/91/88/985449188.db2.gz LMCRFAMNDBHPOC-UHFFFAOYSA-N -2 3 373.453 2.892 20 30 FFEDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)c(C)c1C(=O)[O-] ZINC001341076074 1051420715 /nfs/dbraw/zinc/42/07/15/1051420715.db2.gz BEXKMEAYUVTROI-UHFFFAOYSA-N -2 3 360.391 2.705 20 30 FFEDHL N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)c1 ZINC001343529800 1052287561 /nfs/dbraw/zinc/28/75/61/1052287561.db2.gz OYDGGXBVOQLSQL-UHFFFAOYSA-N -2 3 353.197 2.827 20 30 FFEDHL C=C(C)C[C@@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(=O)[O-] ZINC001588555426 1080093180 /nfs/dbraw/zinc/09/31/80/1080093180.db2.gz IIGLMJJIRCMNSL-SECBINFHSA-N -2 3 360.844 2.647 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c(C(F)(F)F)c1 ZINC000298840481 511426519 /nfs/dbraw/zinc/42/65/19/511426519.db2.gz FWNYUIUATVRDPM-UHFFFAOYSA-N -2 3 364.345 2.500 20 30 FFEDHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC(=O)[O-] ZINC000547886457 516618190 /nfs/dbraw/zinc/61/81/90/516618190.db2.gz BNYCGGXHWNSMQV-NSHDSACASA-N -2 3 358.847 2.627 20 30 FFEDHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)(CC(=O)[O-])C1 ZINC000547892770 516622688 /nfs/dbraw/zinc/62/26/88/516622688.db2.gz LEVXPIIGDWYJHJ-ZBEGNZNMSA-N -2 3 370.858 2.771 20 30 FFEDHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)(C(=O)[O-])C1 ZINC000556779135 517653127 /nfs/dbraw/zinc/65/31/27/517653127.db2.gz NHAZXGIDPJZBTE-HNNXBMFYSA-N -2 3 356.831 2.523 20 30 FFEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000542860051 517785310 /nfs/dbraw/zinc/78/53/10/517785310.db2.gz AAOANEOVBXGZBM-CQSZACIVSA-N -2 3 351.811 2.638 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])c(Cl)c1 ZINC000517014353 517975743 /nfs/dbraw/zinc/97/57/43/517975743.db2.gz LDJKSWDPYUKIOJ-OCCSQVGLSA-N -2 3 370.858 2.914 20 30 FFEDHL COc1ccc(C=CC(=O)c2csc(C(=O)[O-])c2)cc1-c1nnn[n-]1 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N#Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(F)c1F ZINC001192141678 1004078972 /nfs/dbraw/zinc/07/89/72/1004078972.db2.gz ZZVXYCAQGZXLMP-UHFFFAOYSA-N -2 3 366.345 2.654 20 30 FFEDHL CC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192449337 1004173349 /nfs/dbraw/zinc/17/33/49/1004173349.db2.gz DTZJAFBWHLJPEX-LBPRGKRZSA-N -2 3 351.211 2.662 20 30 FFEDHL CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(C#N)cc2[O-])c(C)c1[O-] ZINC001195759132 1005031601 /nfs/dbraw/zinc/03/16/01/1005031601.db2.gz WQFXPDJJUNRECT-UHFFFAOYSA-N -2 3 365.345 2.579 20 30 FFEDHL COc1c([O-])ccc2c(=O)c3c(O[C@@H]4C=CC(=O)C4)cc([O-])cc3oc21 ZINC001234751938 1037170072 /nfs/dbraw/zinc/17/00/72/1037170072.db2.gz RHGXXCAEQYWHQH-LLVKDONJSA-N -2 3 354.314 2.642 20 30 FFEDHL CCc1oc(C)c(Oc2c([O-])cc(C(=O)OCC(C)C)cc2[O-])c1[O-] ZINC001231250368 1037511872 /nfs/dbraw/zinc/51/18/72/1037511872.db2.gz IMZKTUAOFJOPAG-CQSZACIVSA-N -3 3 350.367 2.899 20 30 FFEDHL N#Cc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Br)c2)c1 ZINC001259124764 1039731532 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371.422 2.541 20 30 FFEDHL C=CCOc1cccc([N-]S(=O)(=O)c2c(C)cccc2-c2nn[n-]n2)c1 ZINC001588689871 1080155825 /nfs/dbraw/zinc/15/58/25/1080155825.db2.gz NGQFNBBHXPSESN-UHFFFAOYSA-N -2 3 371.422 2.541 20 30 FFEDHL N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)ccc1Cl ZINC000177543240 510125306 /nfs/dbraw/zinc/12/53/06/510125306.db2.gz GIPPXNVZBDISOM-UHFFFAOYSA-N -2 3 354.746 2.850 20 30 FFEDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1[O-] ZINC000436802352 513986344 /nfs/dbraw/zinc/98/63/44/513986344.db2.gz BTEUYPQPCGVVNP-UHFFFAOYSA-N -2 3 366.782 2.505 20 30 FFEDHL C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000511683918 516000945 /nfs/dbraw/zinc/00/09/45/516000945.db2.gz VHRIOEWYFKLMRY-UHFFFAOYSA-N -2 3 363.391 2.764 20 30 FFEDHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)(CC(=O)[O-])C1 ZINC000547886139 516617713 /nfs/dbraw/zinc/61/77/13/516617713.db2.gz PCAZIBOKFQKKOV-ZBEGNZNMSA-N -2 3 370.858 2.771 20 30 FFEDHL Cc1cccc([C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C(=O)[O-])c1 ZINC000548205321 516824455 /nfs/dbraw/zinc/82/44/55/516824455.db2.gz SQWAVXWLPOOAGC-HNNXBMFYSA-N -2 3 364.810 2.624 20 30 FFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccsc1 ZINC000548524796 517034372 /nfs/dbraw/zinc/03/43/72/517034372.db2.gz AVZQQKMEIQSPGL-GFCCVEGCSA-N -2 3 370.839 2.767 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1F ZINC000562353492 517050377 /nfs/dbraw/zinc/05/03/77/517050377.db2.gz PKFVBQHVGDMWLL-UHFFFAOYSA-N -2 3 354.746 2.850 20 30 FFEDHL CC(C)[C@H]1C[C@]([N-]S(=O)(=O)c2ccc(C#N)o2)(C(=O)[O-])c2ccccc21 ZINC000548769555 517203473 /nfs/dbraw/zinc/20/34/73/517203473.db2.gz BDRXMXVLXDERJP-RDTXWAMCSA-N -2 3 374.418 2.553 20 30 FFEDHL CC1CCC([N-]S(=O)(=O)c2cccc(Cl)c2C#N)(C(=O)[O-])CC1 ZINC000548837451 517245871 /nfs/dbraw/zinc/24/58/71/517245871.db2.gz VPUSFJJNOYPGKQ-UHFFFAOYSA-N -2 3 356.831 2.523 20 30 FFEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000584695562 518432525 /nfs/dbraw/zinc/43/25/25/518432525.db2.gz QCBFANXSTBVLIB-GFCCVEGCSA-N -2 3 352.437 2.508 20 30 FFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CCC1 ZINC000594672775 520076596 /nfs/dbraw/zinc/07/65/96/520076596.db2.gz BOHIAFHIGGZNBD-AWEZNQCLSA-N -2 3 364.448 2.613 20 30 FFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594670916 520077698 /nfs/dbraw/zinc/07/76/98/520077698.db2.gz CORXGCZKQPKHDY-LBPRGKRZSA-N -2 3 364.448 2.779 20 30 FFEDHL C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC000833367559 605123923 /nfs/dbraw/zinc/12/39/23/605123923.db2.gz ZVZYYKNVGQPXSQ-UHFFFAOYSA-N -2 3 371.414 2.616 20 30 FFEDHL COc1ccc(C=CC(=O)c2cc(F)cc(F)c2[O-])cc1-c1nnn[n-]1 ZINC000821786853 606858810 /nfs/dbraw/zinc/85/88/10/606858810.db2.gz KNYQDHZYUZCJMV-RQOWECAXSA-N -2 3 358.304 2.755 20 30 FFEDHL COc1ccc(C=CC(=O)c2cc(F)cc(F)c2[O-])cc1-c1nn[n-]n1 ZINC000821786853 606858812 /nfs/dbraw/zinc/85/88/12/606858812.db2.gz KNYQDHZYUZCJMV-RQOWECAXSA-N -2 3 358.304 2.755 20 30 FFEDHL C=CCC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000776597881 738212675 /nfs/dbraw/zinc/21/26/75/738212675.db2.gz TVKUAYYKEXYVPV-JTQLQIEISA-N -2 3 352.239 3.000 20 30 FFEDHL N#CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CCCC1 ZINC001192442496 1004170940 /nfs/dbraw/zinc/17/09/40/1004170940.db2.gz AWYORBYFSUWOEJ-UHFFFAOYSA-N -2 3 363.222 2.806 20 30 FFEDHL COc1cc(Br)c([O-])c(NC(=O)c2ccc([O-])c(C#N)c2)c1 ZINC001193505635 1004505539 /nfs/dbraw/zinc/50/55/39/1004505539.db2.gz LDGAUJOCPNQRRI-UHFFFAOYSA-N -2 3 363.167 2.993 20 30 FFEDHL N#C[C@@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1cccc(F)c1 ZINC001227598122 1035630189 /nfs/dbraw/zinc/63/01/89/1035630189.db2.gz VEJWMXUYBAPZBI-MRVPVSSYSA-N -2 3 364.134 2.604 20 30 FFEDHL C#C[C@H](CC(C)C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229792720 1036899587 /nfs/dbraw/zinc/89/95/87/1036899587.db2.gz SJXBWBUNEHOJAG-GFCCVEGCSA-N -2 3 372.373 2.872 20 30 FFEDHL C=C1O[C@H](C)C(=O)C1Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234742177 1037162045 /nfs/dbraw/zinc/16/20/45/1037162045.db2.gz NDOGCGDLWVQNRP-MRVPVSSYSA-N -2 3 354.314 2.956 20 30 FFEDHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC#N)cc1 ZINC001324143916 1045889635 /nfs/dbraw/zinc/88/96/35/1045889635.db2.gz WPEHRSPASXIUCC-UHFFFAOYSA-N -2 3 364.354 2.536 20 30 FFEDHL CC1([C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C(=O)[O-])CCCCC1 ZINC000547701895 516507563 /nfs/dbraw/zinc/50/75/63/516507563.db2.gz FUWOXZNLFITRBY-CQSZACIVSA-N -2 3 370.858 2.914 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])cc1 ZINC000540459188 516564290 /nfs/dbraw/zinc/56/42/90/516564290.db2.gz WQOJOEDXUBMENP-UHFFFAOYSA-N -2 3 371.418 2.657 20 30 FFEDHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)CC(=O)[O-] ZINC000547887496 516620038 /nfs/dbraw/zinc/62/00/38/516620038.db2.gz ULTAAPXOSKHROQ-SNVBAGLBSA-N -2 3 358.847 2.627 20 30 FFEDHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000547910457 516630157 /nfs/dbraw/zinc/63/01/57/516630157.db2.gz LXGUNJJMEVIUFZ-LBPRGKRZSA-N -2 3 358.847 2.769 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)c(F)c1 ZINC000548533358 517039266 /nfs/dbraw/zinc/03/92/66/517039266.db2.gz CYOQGDBCDIIGTG-OAHLLOKOSA-N -2 3 362.382 2.582 20 30 FFEDHL CC1(C)CC[C@]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)(C(=O)[O-])C1 ZINC000560417958 517786203 /nfs/dbraw/zinc/78/62/03/517786203.db2.gz KKMOEGLUMRKADF-OAHLLOKOSA-N -2 3 356.831 2.523 20 30 FFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000590898823 519425201 /nfs/dbraw/zinc/42/52/01/519425201.db2.gz MOUXIJBUKOJMTG-SMDDNHRTSA-N -2 3 370.858 2.914 20 30 FFEDHL O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000823503991 607460746 /nfs/dbraw/zinc/46/07/46/607460746.db2.gz KYJFQVHHTFOXQK-FLIBITNWSA-N -2 3 363.333 2.693 20 30 FFEDHL O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000823503991 607460747 /nfs/dbraw/zinc/46/07/47/607460747.db2.gz KYJFQVHHTFOXQK-FLIBITNWSA-N -2 3 363.333 2.693 20 30 FFEDHL C#CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000825631551 601331524 /nfs/dbraw/zinc/33/15/24/601331524.db2.gz FSOMZXXHOPDZKJ-LFYBBSHMSA-N -2 3 357.387 2.597 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(CNC(=O)[O-])c1 ZINC000740028196 602728416 /nfs/dbraw/zinc/72/84/16/602728416.db2.gz JFHPFCJOTPDPEJ-UHFFFAOYSA-N -2 3 369.377 2.582 20 30 FFEDHL COc1cc(C=N[N-]c2oc(C(C)(C)C)nc2C#N)c([N+](=O)[O-])cc1[O-] ZINC000746498554 1000644744 /nfs/dbraw/zinc/64/47/44/1000644744.db2.gz VERZQSJGGMNJDL-UHFFFAOYSA-N -2 3 359.342 2.912 20 30 FFEDHL N#Cc1cc(NC(=O)c2cc([O-])c(Br)c([O-])c2)c([O-])cc1F ZINC001148988339 1001248430 /nfs/dbraw/zinc/24/84/30/1001248430.db2.gz QMYJTRRPLULYRL-UHFFFAOYSA-N -3 3 367.130 2.829 20 30 FFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(F)c1Cl ZINC001186191629 1003215993 /nfs/dbraw/zinc/21/59/93/1003215993.db2.gz YJKNIWQQHYHWQT-UHFFFAOYSA-N -2 3 372.736 2.989 20 30 FFEDHL N#CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCCCCC1 ZINC001195248956 1004922366 /nfs/dbraw/zinc/92/23/66/1004922366.db2.gz MJZVNWILUFSMDN-UHFFFAOYSA-N -2 3 358.366 2.558 20 30 FFEDHL N#CC[C@@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1ccccc1 ZINC001227596186 1035630128 /nfs/dbraw/zinc/63/01/28/1035630128.db2.gz IFSOVWPBWAOCIC-SECBINFHSA-N -2 3 360.171 2.855 20 30 FFEDHL N#Cc1ccccc1CN1CC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228974229 1036443360 /nfs/dbraw/zinc/44/33/60/1036443360.db2.gz SAOAIARGLDDNOY-OAHLLOKOSA-N -2 3 355.350 2.531 20 30 FFEDHL C[C@@](C#N)([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC001260192521 1040449438 /nfs/dbraw/zinc/44/94/38/1040449438.db2.gz NFBCCWULIBAQNS-INIZCTEOSA-N -2 3 364.810 2.755 20 30 FFEDHL C=CCCO[N-]C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC001454241429 1059465720 /nfs/dbraw/zinc/46/57/20/1059465720.db2.gz XVGQNOYNEGMMNE-UHFFFAOYSA-N -2 3 361.423 2.576 20 30 FFEDHL Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001569637617 1077156566 /nfs/dbraw/zinc/15/65/66/1077156566.db2.gz ZESXTLYMPLYLCQ-UHFFFAOYSA-N -2 3 362.183 2.996 20 30 FFEDHL C[C@H](Oc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1)C(=O)[O-] ZINC001590023503 1080949336 /nfs/dbraw/zinc/94/93/36/1080949336.db2.gz NPHMYFGCMLWMIK-UMAGTOLTSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@H](Oc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1)C(=O)[O-] ZINC001590023503 1080949340 /nfs/dbraw/zinc/94/93/40/1080949340.db2.gz NPHMYFGCMLWMIK-UMAGTOLTSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000547932351 516639999 /nfs/dbraw/zinc/63/99/99/516639999.db2.gz ANKJVUCJKQZJHC-QWRGUYRKSA-N -2 3 358.847 2.769 20 30 FFEDHL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000548524748 517034422 /nfs/dbraw/zinc/03/44/22/517034422.db2.gz WVKSKLAFGZFBNC-UHFFFAOYSA-N -2 3 366.782 2.719 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832842731 601905888 /nfs/dbraw/zinc/90/58/88/601905888.db2.gz GXYIANFPYDULRM-RDJZCZTQSA-N -2 3 373.453 2.748 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H](CC(C)C)NC(=O)[O-])no1 ZINC000740028351 602410725 /nfs/dbraw/zinc/41/07/25/602410725.db2.gz OXJWAMFSHKBEPD-CQSZACIVSA-N -2 3 373.413 2.799 20 30 FFEDHL CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000823958085 609472477 /nfs/dbraw/zinc/47/24/77/609472477.db2.gz BHIOCJAMBYBXMV-UHFFFAOYSA-N -2 3 373.760 2.970 20 30 FFEDHL CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000823958085 609472479 /nfs/dbraw/zinc/47/24/79/609472479.db2.gz BHIOCJAMBYBXMV-UHFFFAOYSA-N -2 3 373.760 2.970 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599940847 985452270 /nfs/dbraw/zinc/45/22/70/985452270.db2.gz VOQGWNXVPZPVGG-FQEVSTJZSA-N -2 3 373.453 2.748 20 30 FFEDHL N#Cc1cccc2[nH]nc(NC(=O)c3cc([O-])c(Br)c([O-])c3)c21 ZINC001148981278 1001247573 /nfs/dbraw/zinc/24/75/73/1001247573.db2.gz GHPAUNBPFQJNLX-UHFFFAOYSA-N -2 3 373.166 2.861 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)cc1 ZINC001320674263 1045447121 /nfs/dbraw/zinc/44/71/21/1045447121.db2.gz AKDDHAYPWRDNAJ-UHFFFAOYSA-N -2 3 353.197 2.827 20 30 FFEDHL C[C@H](Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1)C(=O)[O-] ZINC001590022910 1080949163 /nfs/dbraw/zinc/94/91/63/1080949163.db2.gz IXJKNAJUHNZEMF-MCWZUMHDSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@H](Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1)C(=O)[O-] ZINC001590022910 1080949167 /nfs/dbraw/zinc/94/91/67/1080949167.db2.gz IXJKNAJUHNZEMF-MCWZUMHDSA-N -2 3 364.361 2.615 20 30 FFEDHL Cc1cccc([C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C(=O)[O-])c1 ZINC000548205322 516823927 /nfs/dbraw/zinc/82/39/27/516823927.db2.gz SQWAVXWLPOOAGC-OAHLLOKOSA-N -2 3 364.810 2.624 20 30 FFEDHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-] ZINC000577024200 518877808 /nfs/dbraw/zinc/87/78/08/518877808.db2.gz VAZRTYRQSDKXPE-GFCCVEGCSA-N -2 3 356.419 2.647 20 30 FFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C ZINC000594672830 520076942 /nfs/dbraw/zinc/07/69/42/520076942.db2.gz GLZBXDWJZYLFFQ-ZDUSSCGKSA-N -2 3 366.464 2.859 20 30 FFEDHL N#Cc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1[O-] ZINC000513738592 561948303 /nfs/dbraw/zinc/94/83/03/561948303.db2.gz WHVCHQPPMUJOBT-UHFFFAOYSA-N -2 3 357.167 2.926 20 30 FFEDHL COc1ccc(C=CC(=O)c2ccc(C(=O)[O-])s2)cc1-c1nnn[n-]1 ZINC000737081647 599153846 /nfs/dbraw/zinc/15/38/46/599153846.db2.gz QOQWXUVPBLOPJP-DUXPYHPUSA-N -2 3 356.363 2.531 20 30 FFEDHL COc1ccc(C=CC(=O)c2ccc(C(=O)[O-])s2)cc1-c1nn[n-]n1 ZINC000737081647 599153849 /nfs/dbraw/zinc/15/38/49/599153849.db2.gz QOQWXUVPBLOPJP-DUXPYHPUSA-N -2 3 356.363 2.531 20 30 FFEDHL Cc1c(C(=O)C=Cc2ccc(C(=O)[O-])cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203906 598379056 /nfs/dbraw/zinc/37/90/56/598379056.db2.gz WMYMFEHPHXXEFQ-RMKNXTFCSA-N -2 3 363.377 2.517 20 30 FFEDHL Cc1c(C(=O)C=Cc2ccc(C(=O)[O-])cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203906 598379057 /nfs/dbraw/zinc/37/90/57/598379057.db2.gz WMYMFEHPHXXEFQ-RMKNXTFCSA-N -2 3 363.377 2.517 20 30 FFEDHL O=c1[n-]c(CN=Cc2cc(Cl)cc(Cl)c2[O-])nc2c1COCC2 ZINC000864349005 730840687 /nfs/dbraw/zinc/84/06/87/730840687.db2.gz RORNGYVKDRGYGY-DVZOWYKESA-N -2 3 354.193 2.886 20 30 FFEDHL C#CCOc1ccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)cc1 ZINC000749773194 735747351 /nfs/dbraw/zinc/74/73/51/735747351.db2.gz XQKZBZMOYHWMPL-UHFFFAOYSA-N -2 3 359.403 2.760 20 30 FFEDHL COc1cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc(Cl)c1[O-] ZINC000916304813 737694749 /nfs/dbraw/zinc/69/47/49/737694749.db2.gz CGZCMKMXHKEUJT-UHFFFAOYSA-N -2 3 352.725 2.835 20 30 FFEDHL COc1cc(C(=O)/C=C/c2ccc(OCC(=O)[O-])c(OC)c2)ccc1[O-] ZINC000008322790 986101428 /nfs/dbraw/zinc/10/14/28/986101428.db2.gz CZJYISOCMPWYRP-ZZXKWVIFSA-N -2 3 358.346 2.769 20 30 FFEDHL CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185303135 1002905924 /nfs/dbraw/zinc/90/59/24/1002905924.db2.gz HECONFAKCQSNGQ-UHFFFAOYSA-N -2 3 360.391 2.628 20 30 FFEDHL CC(=O)c1ccc(OCc2ccccc2)c([N-]S(=O)(=O)[C@H](C)C#N)c1[O-] ZINC001193157618 1004392819 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ZINC001229790766 1036897840 /nfs/dbraw/zinc/89/78/40/1036897840.db2.gz JHTDNFFOMKNRMU-NSHDSACASA-N -2 3 358.346 2.626 20 30 FFEDHL CCc1oc(C)c(Oc2c([O-])cc(C(=O)OCC(C)C)cc2[O-])c1[O-] ZINC001231250367 1037511328 /nfs/dbraw/zinc/51/13/28/1037511328.db2.gz IMZKTUAOFJOPAG-AWEZNQCLSA-N -3 3 350.367 2.899 20 30 FFEDHL N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC001257863904 1039021946 /nfs/dbraw/zinc/02/19/46/1039021946.db2.gz VNKVONRKGYOTJK-UHFFFAOYSA-N -2 3 353.197 2.827 20 30 FFEDHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)cc1C(=O)[O-] ZINC001340952362 1051283791 /nfs/dbraw/zinc/28/37/91/1051283791.db2.gz RFLIBIPVMSAXHT-UHFFFAOYSA-N -2 3 360.391 2.650 20 30 FFEDHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000485035613 514884710 /nfs/dbraw/zinc/88/47/10/514884710.db2.gz PVDXGJURPPJCFR-GFCCVEGCSA-N -2 3 358.847 2.769 20 30 FFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000547866501 516609211 /nfs/dbraw/zinc/60/92/11/516609211.db2.gz STHVJAFPWOTTFJ-GFCCVEGCSA-N -2 3 370.839 2.767 20 30 FFEDHL N#Cc1ccc(F)c(CS(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000548197191 516819791 /nfs/dbraw/zinc/81/97/91/516819791.db2.gz ARZUEGVGIDZFOV-UHFFFAOYSA-N -2 3 368.773 2.991 20 30 FFEDHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-] ZINC000548596300 517074493 /nfs/dbraw/zinc/07/44/93/517074493.db2.gz JPPZAJIRUIZMTM-ZWNOBZJWSA-N -2 3 358.847 2.769 20 30 FFEDHL Cc1ccc([N-]S(=O)(=O)CC2(CC#N)CC2)c(SCCC(=O)[O-])c1 ZINC000562477407 517133293 /nfs/dbraw/zinc/13/32/93/517133293.db2.gz LKRJCQRJDCYGEE-UHFFFAOYSA-N -2 3 368.480 2.997 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000560077274 517565658 /nfs/dbraw/zinc/56/56/58/517565658.db2.gz JKUPXKQAQRTYDI-MRXNPFEDSA-N -2 3 372.427 2.877 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000604459403 520569042 /nfs/dbraw/zinc/56/90/42/520569042.db2.gz NPMYOOSTCNUQOI-UHFFFAOYSA-N -2 3 361.405 2.659 20 30 FFEDHL N#CC1(CS(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)CCCCC1 ZINC000614314900 520904702 /nfs/dbraw/zinc/90/47/02/520904702.db2.gz QZGONJROVWYREP-LBPRGKRZSA-N -2 3 356.469 2.657 20 30 FFEDHL CSc1ccc([C@@H](CC(=O)[O-])/N=C\c2c([O-])c(C)ncc2CO)cc1 ZINC000738199499 599842924 /nfs/dbraw/zinc/84/29/24/599842924.db2.gz MOSMDKPKOPIHIZ-PADWCVLASA-N -2 3 360.435 2.945 20 30 FFEDHL C=C(C)C[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000864453184 730847473 /nfs/dbraw/zinc/84/74/73/730847473.db2.gz YIYUYZCUVVLOAY-VIFPVBQESA-N -2 3 368.274 2.517 20 30 FFEDHL C=C(C)C[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000864453183 730847481 /nfs/dbraw/zinc/84/74/81/730847481.db2.gz YIYUYZCUVVLOAY-SECBINFHSA-N -2 3 368.274 2.517 20 30 FFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC000663291646 732410586 /nfs/dbraw/zinc/41/05/86/732410586.db2.gz PXHMPECGXVUWGB-ZDUSSCGKSA-N -2 3 366.464 2.816 20 30 FFEDHL C=CC[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000681558201 734003986 /nfs/dbraw/zinc/00/39/86/734003986.db2.gz OFPYOKWABGGNTM-NSHDSACASA-N -2 3 372.855 2.771 20 30 FFEDHL Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(Cl)c2[O-])n1 ZINC000775932863 738144104 /nfs/dbraw/zinc/14/41/04/738144104.db2.gz DXVVCMNKHYIJMT-JTQLQIEISA-N -2 3 350.783 2.844 20 30 FFEDHL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1-c1nn[n-]n1 ZINC000826299358 743378847 /nfs/dbraw/zinc/37/88/47/743378847.db2.gz AWNSCKNFUKJTGZ-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001599940377 985447635 /nfs/dbraw/zinc/44/76/35/985447635.db2.gz IOHRKGIATJUNHG-UHFFFAOYSA-N -2 3 371.368 2.613 20 30 FFEDHL CS(=O)(=O)[N-]c1ccsc1C(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001196730073 1003942758 /nfs/dbraw/zinc/94/27/58/1003942758.db2.gz UIOAVHCOICRXTN-UHFFFAOYSA-N -2 3 357.363 2.522 20 30 FFEDHL Cc1ccc(S(=O)(=O)[N-]c2ncc([O-])cc2Br)cc1C#N ZINC001201295606 1005196019 /nfs/dbraw/zinc/19/60/19/1005196019.db2.gz WHQRNVMFAOZVRV-UHFFFAOYSA-N -2 3 368.212 2.531 20 30 FFEDHL N#Cc1ccc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1[O-] ZINC000870161984 1012226440 /nfs/dbraw/zinc/22/64/40/1012226440.db2.gz FDAIVNFPNCEEHF-UHFFFAOYSA-N -2 3 371.824 2.581 20 30 FFEDHL C[C@@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1ccccc1C#N ZINC001227598632 1035629689 /nfs/dbraw/zinc/62/96/89/1035629689.db2.gz ZBGSUYGAJKOTIU-SSDOTTSWSA-N -2 3 360.171 2.833 20 30 FFEDHL N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccccc1Br ZINC001257384018 1038778611 /nfs/dbraw/zinc/77/86/11/1038778611.db2.gz LCPOCQGMHXZHQQ-UHFFFAOYSA-N -2 3 353.197 2.827 20 30 FFEDHL N#CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCCCC1 ZINC001259222873 1039814236 /nfs/dbraw/zinc/81/42/36/1039814236.db2.gz HZAIEWVXXPMUDM-UHFFFAOYSA-N -2 3 360.794 2.682 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000323288217 511828564 /nfs/dbraw/zinc/82/85/64/511828564.db2.gz KYEFDIOPQJEKQK-CYBMUJFWSA-N -2 3 350.421 2.504 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)c(Cl)c1 ZINC000326352793 511857481 /nfs/dbraw/zinc/85/74/81/511857481.db2.gz PEJZZROSNWRJLO-UHFFFAOYSA-N -2 3 370.858 2.915 20 30 FFEDHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)(C(=O)[O-])C1 ZINC000552001655 517018296 /nfs/dbraw/zinc/01/82/96/517018296.db2.gz WRLWVJHFWQRTTJ-HNNXBMFYSA-N -2 3 356.831 2.523 20 30 FFEDHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)(CC(=O)[O-])C1 ZINC000548551505 517050529 /nfs/dbraw/zinc/05/05/29/517050529.db2.gz ZYVVPENNYFAGTP-MEDUHNTESA-N -2 3 370.858 2.771 20 30 FFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000574505276 519187662 /nfs/dbraw/zinc/18/76/62/519187662.db2.gz KTBOGPJZLBGJMJ-MFKMUULPSA-N -2 3 356.831 2.523 20 30 FFEDHL N#CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000619470503 521585306 /nfs/dbraw/zinc/58/53/06/521585306.db2.gz YEDSDQOHCFRIIX-UHFFFAOYSA-N -2 3 350.783 2.905 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738230965 599768431 /nfs/dbraw/zinc/76/84/31/599768431.db2.gz VUNMDCDVKJJZSZ-UHFFFAOYSA-N -2 3 367.405 2.864 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738154041 602962346 /nfs/dbraw/zinc/96/23/46/602962346.db2.gz RFEODUTXDWNOMG-UHFFFAOYSA-N -2 3 355.350 2.904 20 30 FFEDHL O=C(C=Cc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400880 609271220 /nfs/dbraw/zinc/27/12/20/609271220.db2.gz KHLXDLGMXCHUKZ-KTAJNNJTSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400880 609271222 /nfs/dbraw/zinc/27/12/22/609271222.db2.gz KHLXDLGMXCHUKZ-KTAJNNJTSA-N -2 3 355.285 2.516 20 30 FFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000654787552 731394455 /nfs/dbraw/zinc/39/44/55/731394455.db2.gz FJGWYURXEOFTPF-MRVPVSSYSA-N -2 3 368.274 2.517 20 30 FFEDHL C#CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)cc1 ZINC000730996400 734661472 /nfs/dbraw/zinc/66/14/72/734661472.db2.gz NXAHCJVMXZBKPY-UHFFFAOYSA-N -2 3 359.403 2.760 20 30 FFEDHL Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1-c1nn[n-]n1 ZINC000826299859 743378521 /nfs/dbraw/zinc/37/85/21/743378521.db2.gz YUNKEPASXAJXGL-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001599940384 985447498 /nfs/dbraw/zinc/44/74/98/985447498.db2.gz ITRHWUFECQELRH-OAHLLOKOSA-N -2 3 373.453 2.606 20 30 FFEDHL COc1cc(/C=C\C(=O)c2cccc([O-])c2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000730432964 997190839 /nfs/dbraw/zinc/19/08/39/997190839.db2.gz AELQEJHCUOXCIY-WAYWQWQTSA-N -2 3 373.317 2.669 20 30 FFEDHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1F ZINC001185906420 1003110491 /nfs/dbraw/zinc/11/04/91/1003110491.db2.gz UGXNXVGSFDUOBN-UHFFFAOYSA-N -2 3 352.318 2.644 20 30 FFEDHL C=CCc1c(F)c(F)c(C(=O)NCCCCP(=O)([O-])[O-])c(F)c1F ZINC001186737510 1003402071 /nfs/dbraw/zinc/40/20/71/1003402071.db2.gz MCJRESLOMROASJ-UHFFFAOYSA-N -2 3 369.251 2.659 20 30 FFEDHL N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Br)ccc1[O-] ZINC001191369897 1003801120 /nfs/dbraw/zinc/80/11/20/1003801120.db2.gz HJMJONFJPIAQLV-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL N#CC[C@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1ccccc1 ZINC001227596187 1035629148 /nfs/dbraw/zinc/62/91/48/1035629148.db2.gz IFSOVWPBWAOCIC-VIFPVBQESA-N -2 3 360.171 2.855 20 30 FFEDHL N#Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1[O-] ZINC001251567427 1039184683 /nfs/dbraw/zinc/18/46/83/1039184683.db2.gz PIRXGLLRAHHYOU-UHFFFAOYSA-N -2 3 353.197 2.827 20 30 FFEDHL C=CC[C@H](CC)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001588735857 1079704674 /nfs/dbraw/zinc/70/46/74/1079704674.db2.gz MYXYMIIYNCPBCT-ZETCQYMHSA-N -2 3 368.274 2.842 20 30 FFEDHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000322402021 511824268 /nfs/dbraw/zinc/82/42/68/511824268.db2.gz UGTULBCIDJXCFY-HIFRSBDPSA-N -2 3 356.831 2.523 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])c(Cl)c1 ZINC000326640308 511861106 /nfs/dbraw/zinc/86/11/06/511861106.db2.gz VJXFDMSRLUOFBK-CQSZACIVSA-N -2 3 370.858 2.914 20 30 FFEDHL C[C@H]1CCC[C@]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)(C(=O)[O-])C1 ZINC000558591273 516825503 /nfs/dbraw/zinc/82/55/03/516825503.db2.gz ZCUHANRVEVGYCJ-ZUZCIYMTSA-N -2 3 356.831 2.523 20 30 FFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1 ZINC000548249924 516850129 /nfs/dbraw/zinc/85/01/29/516850129.db2.gz GHUBFZZTDHEVET-UHFFFAOYSA-N -2 3 370.858 2.915 20 30 FFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000567218116 518410023 /nfs/dbraw/zinc/41/00/23/518410023.db2.gz SXBCZCJFRGAXLU-QMMMGPOBSA-N -2 3 368.238 2.700 20 30 FFEDHL C=CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736096964 600264833 /nfs/dbraw/zinc/26/48/33/600264833.db2.gz UIHDSJIOAWBXEI-ZETCQYMHSA-N -2 3 366.208 2.529 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738230909 600448034 /nfs/dbraw/zinc/44/80/34/600448034.db2.gz UEMBGIVFKWKKSB-KRWDZBQOSA-N -2 3 372.352 2.717 20 30 FFEDHL O=C([O-])Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823387606 607458907 /nfs/dbraw/zinc/45/89/07/607458907.db2.gz QHUMPQRHYYXSST-FPLPWBNLSA-N -2 3 352.325 2.529 20 30 FFEDHL O=C([O-])Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823387606 607458908 /nfs/dbraw/zinc/45/89/08/607458908.db2.gz QHUMPQRHYYXSST-FPLPWBNLSA-N -2 3 352.325 2.529 20 30 FFEDHL O=C([O-])Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823387605 607459005 /nfs/dbraw/zinc/45/90/05/607459005.db2.gz QHUMPQRHYYXSST-BQYQJAHWSA-N -2 3 352.325 2.529 20 30 FFEDHL O=C([O-])Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823387605 607459007 /nfs/dbraw/zinc/45/90/07/607459007.db2.gz QHUMPQRHYYXSST-BQYQJAHWSA-N -2 3 352.325 2.529 20 30 FFEDHL N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1F ZINC001192131648 1004062166 /nfs/dbraw/zinc/06/21/66/1004062166.db2.gz FVKHKSBCCKUDRC-UHFFFAOYSA-N -2 3 366.345 2.654 20 30 FFEDHL Cc1oc(C)c(Oc2c([O-])cc(C(=O)OCCC(C)C)cc2[O-])c1[O-] ZINC001227590241 1035621521 /nfs/dbraw/zinc/62/15/21/1035621521.db2.gz NEQNWLCSJCKYJO-JTQLQIEISA-N -3 3 350.367 2.899 20 30 FFEDHL C=C1O[C@@H](C)C(=O)C1Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21 ZINC001234749805 1037167241 /nfs/dbraw/zinc/16/72/41/1037167241.db2.gz DFMATPFJFHEWMD-ZETCQYMHSA-N -2 3 370.313 2.661 20 30 FFEDHL CCOC(=O)c1cc(C#N)c([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1[O-] ZINC001252184623 1039452489 /nfs/dbraw/zinc/45/24/89/1039452489.db2.gz RLJPPXXDDWZSEK-UHFFFAOYSA-N -2 3 374.418 2.858 20 30 FFEDHL C[C@@H](Oc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1)C(=O)[O-] ZINC001590023498 1080948648 /nfs/dbraw/zinc/94/86/48/1080948648.db2.gz NPHMYFGCMLWMIK-MQGYJPLLSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@@H](Oc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1)C(=O)[O-] ZINC001590023498 1080948651 /nfs/dbraw/zinc/94/86/51/1080948651.db2.gz NPHMYFGCMLWMIK-MQGYJPLLSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000321198204 511819359 /nfs/dbraw/zinc/81/93/59/511819359.db2.gz UHLSUTJNQGIWJY-WDEREUQCSA-N -2 3 358.847 2.769 20 30 FFEDHL CC(C)(CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)CCC(=O)[O-] ZINC000547940641 516646552 /nfs/dbraw/zinc/64/65/52/516646552.db2.gz TZRPUNORCKLDDF-UHFFFAOYSA-N -2 3 358.847 2.771 20 30 FFEDHL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000548208114 516826618 /nfs/dbraw/zinc/82/66/18/516826618.db2.gz WPLFOEJARKDSLF-UHFFFAOYSA-N -2 3 366.345 2.785 20 30 FFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-] ZINC000558685205 516884784 /nfs/dbraw/zinc/88/47/84/516884784.db2.gz FVNQJTATKFCZLW-CQSZACIVSA-N -2 3 370.858 2.914 20 30 FFEDHL CC(C)[C@@H]1C[C@]([N-]S(=O)(=O)c2ccc(C#N)o2)(C(=O)[O-])c2ccccc21 ZINC000548769549 517204092 /nfs/dbraw/zinc/20/40/92/517204092.db2.gz BDRXMXVLXDERJP-KBXCAEBGSA-N -2 3 374.418 2.553 20 30 FFEDHL CC#CC[C@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000542858963 517785429 /nfs/dbraw/zinc/78/54/29/517785429.db2.gz JYPFQNQBMPVAAW-LBPRGKRZSA-N -2 3 355.799 2.540 20 30 FFEDHL N#Cc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c(Cl)c1 ZINC000578566705 518267893 /nfs/dbraw/zinc/26/78/93/518267893.db2.gz FSLGMXPIWXSTLF-UHFFFAOYSA-N -2 3 350.783 2.640 20 30 FFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000569550887 519604796 /nfs/dbraw/zinc/60/47/96/519604796.db2.gz NHHFUVZHMOBWRI-SECBINFHSA-N -2 3 355.309 2.542 20 30 FFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccs1 ZINC000614314393 520904611 /nfs/dbraw/zinc/90/46/11/520904611.db2.gz DZZUXJBDRRWVOB-LLVKDONJSA-N -2 3 370.839 2.767 20 30 FFEDHL CC(C#N)=C([O-])N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000525490321 562249270 /nfs/dbraw/zinc/24/92/70/562249270.db2.gz PRRAFXYXIYUVOF-MRVPVSSYSA-N -2 3 366.162 2.779 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740028234 602500696 /nfs/dbraw/zinc/50/06/96/602500696.db2.gz KNDIBQNLYUSFGF-UHFFFAOYSA-N -2 3 354.366 2.937 20 30 FFEDHL Cc1c(C(=O)[O-])oc2c1C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000822020923 606390996 /nfs/dbraw/zinc/39/09/96/606390996.db2.gz NNUFZIMCUJUHGM-SOFGYWHQSA-N -2 3 356.363 2.740 20 30 FFEDHL O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(Cl)ccc1[O-] ZINC000822934656 606857706 /nfs/dbraw/zinc/85/77/06/606857706.db2.gz AWKDTFZHNPOABR-HWKANZROSA-N -2 3 366.768 2.770 20 30 FFEDHL O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(Cl)ccc1[O-] ZINC000822934656 606857707 /nfs/dbraw/zinc/85/77/07/606857707.db2.gz AWKDTFZHNPOABR-HWKANZROSA-N -2 3 366.768 2.770 20 30 FFEDHL O=c1cc(N2CC[C@@H](N=Cc3cc(Cl)cc(Cl)c3[O-])C2)nc[n-]1 ZINC000899232213 735462604 /nfs/dbraw/zinc/46/26/04/735462604.db2.gz LGCIMYRHTJMKSS-FISSAEAXSA-N -2 3 353.209 2.892 20 30 FFEDHL C=CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000681558200 734004052 /nfs/dbraw/zinc/00/40/52/734004052.db2.gz OFPYOKWABGGNTM-LLVKDONJSA-N -2 3 372.855 2.771 20 30 FFEDHL COc1cc(C(=O)/C=C\c2ccc(OCC(=O)[O-])c(OC)c2)ccc1[O-] ZINC000213715078 985373071 /nfs/dbraw/zinc/37/30/71/985373071.db2.gz CZJYISOCMPWYRP-UTCJRWHESA-N -2 3 358.346 2.769 20 30 FFEDHL C=CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193287598 1004439878 /nfs/dbraw/zinc/43/98/78/1004439878.db2.gz BZCXQBSVMFGMSR-UHFFFAOYSA-N -2 3 360.435 2.889 20 30 FFEDHL CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1cnc(F)c(C(=O)[O-])c1 ZINC001244751847 1045194235 /nfs/dbraw/zinc/19/42/35/1045194235.db2.gz HIYMXCRDDOUAHI-DNTJNYDQSA-N -2 3 360.345 2.774 20 30 FFEDHL CC(C)(C)C1CCC(C#N)([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001589726998 1080688746 /nfs/dbraw/zinc/68/87/46/1080688746.db2.gz VRHXUQWONZNJHG-UHFFFAOYSA-N -2 3 354.428 2.755 20 30 FFEDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)ccc1[O-] ZINC000324677646 511838988 /nfs/dbraw/zinc/83/89/88/511838988.db2.gz IVZKPCPWNZDFQM-UHFFFAOYSA-N -2 3 366.782 2.505 20 30 FFEDHL C=CCc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc(OC)c1O ZINC000436575750 513902910 /nfs/dbraw/zinc/90/29/10/513902910.db2.gz JVJGEACZAZFZFA-SREVYHEPSA-N -2 3 356.378 2.731 20 30 FFEDHL C[C@@H]1CCC[C@@]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)(C(=O)[O-])C1 ZINC000558591270 516825713 /nfs/dbraw/zinc/82/57/13/516825713.db2.gz ZCUHANRVEVGYCJ-BMIGLBTASA-N -2 3 356.831 2.523 20 30 FFEDHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CC(=O)[O-] ZINC000548528288 517037919 /nfs/dbraw/zinc/03/79/19/517037919.db2.gz AJTJGEXGZXPXNU-NSHDSACASA-N -2 3 358.847 2.627 20 30 FFEDHL Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000548544545 517045385 /nfs/dbraw/zinc/04/53/85/517045385.db2.gz XEKDVZHLGVTOGH-UHFFFAOYSA-N -2 3 352.318 2.644 20 30 FFEDHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)(CC(=O)[O-])C1 ZINC000548545878 517046506 /nfs/dbraw/zinc/04/65/06/517046506.db2.gz WWUCZKJZGHXCQO-BZNIZROVSA-N -2 3 370.858 2.771 20 30 FFEDHL CC1(C)CCC([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)(C(=O)[O-])CC1 ZINC000541931406 517298268 /nfs/dbraw/zinc/29/82/68/517298268.db2.gz WTRKTZNKPUODIJ-UHFFFAOYSA-N -2 3 370.858 2.914 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000563714677 518086069 /nfs/dbraw/zinc/08/60/69/518086069.db2.gz MKNSVGZXZMRPLV-UHFFFAOYSA-N -2 3 367.405 2.864 20 30 FFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000564809065 518625455 /nfs/dbraw/zinc/62/54/55/518625455.db2.gz LTXJUURLZHYGLN-SECBINFHSA-N -2 3 369.773 2.639 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000541062164 562601878 /nfs/dbraw/zinc/60/18/78/562601878.db2.gz RQSMQMXKLRILNJ-UHFFFAOYSA-N -2 3 365.315 2.656 20 30 FFEDHL Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000832849152 604399595 /nfs/dbraw/zinc/39/95/95/604399595.db2.gz ZAXPBQHTAOWZDL-UHFFFAOYSA-N -2 3 360.391 2.521 20 30 FFEDHL C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000398067854 605250020 /nfs/dbraw/zinc/25/00/20/605250020.db2.gz KNGFGNPZEKJJSW-MRVPVSSYSA-N -2 3 366.233 2.763 20 30 FFEDHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)c(C#N)c1F ZINC001185917123 1003131352 /nfs/dbraw/zinc/13/13/52/1003131352.db2.gz BWULFBMVGDDTTQ-UHFFFAOYSA-N -2 3 370.308 2.783 20 30 FFEDHL CCOC(=O)c1cc(C#N)c([N-]S(=O)(=O)c2cccs2)c(C)c1[O-] ZINC001250922894 1038818371 /nfs/dbraw/zinc/81/83/71/1038818371.db2.gz IFNRWYZGPCDYLW-UHFFFAOYSA-N -2 3 366.420 2.611 20 30 FFEDHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-] ZINC000485034891 514884563 /nfs/dbraw/zinc/88/45/63/514884563.db2.gz OJIYZXCAUWHGEE-GFCCVEGCSA-N -2 3 358.847 2.769 20 30 FFEDHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-] ZINC000485066660 514897442 /nfs/dbraw/zinc/89/74/42/514897442.db2.gz ZSHDZHMQOYCJKM-LBPRGKRZSA-N -2 3 358.847 2.769 20 30 FFEDHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000548588252 517068681 /nfs/dbraw/zinc/06/86/81/517068681.db2.gz LJIZIURKRORBEI-ZWNOBZJWSA-N -2 3 358.847 2.769 20 30 FFEDHL CC1(C)CC[C@]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)(C(=O)[O-])C1 ZINC000556779137 517653802 /nfs/dbraw/zinc/65/38/02/517653802.db2.gz NHAZXGIDPJZBTE-OAHLLOKOSA-N -2 3 356.831 2.523 20 30 FFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000517075266 518015426 /nfs/dbraw/zinc/01/54/26/518015426.db2.gz IUGAIOSXCYFTSM-SECBINFHSA-N -2 3 355.309 2.542 20 30 FFEDHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-] ZINC000577024201 518878524 /nfs/dbraw/zinc/87/85/24/518878524.db2.gz VAZRTYRQSDKXPE-LBPRGKRZSA-N -2 3 356.419 2.647 20 30 FFEDHL C[C@H](Oc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1)C(=O)[O-] ZINC000824737115 608092657 /nfs/dbraw/zinc/09/26/57/608092657.db2.gz BWVYWCJHRDROJT-OMMCCPJFSA-N -2 3 370.390 2.676 20 30 FFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC000663291645 732410527 /nfs/dbraw/zinc/41/05/27/732410527.db2.gz PXHMPECGXVUWGB-CYBMUJFWSA-N -2 3 366.464 2.816 20 30 FFEDHL C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1 ZINC000753781687 736094112 /nfs/dbraw/zinc/09/41/12/736094112.db2.gz YTJWZBANMXAUKH-UHFFFAOYSA-N -2 3 359.403 2.814 20 30 FFEDHL C[C@H]1C(=N[N-]S(=O)(=O)Cc2ccccc2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814815769 741867540 /nfs/dbraw/zinc/86/75/40/741867540.db2.gz DIOFVUARTYHGGW-JSGCOSHPSA-N -2 3 352.456 2.619 20 30 FFEDHL O=C([O-])[C@H](c1ccccc1)N1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1=O ZINC001611361325 971005172 /nfs/dbraw/zinc/00/51/72/971005172.db2.gz BEOBPOPPBHAMGI-QCJHOVIBSA-N -2 3 372.808 2.891 20 30 FFEDHL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1Cl ZINC001599349901 998074968 /nfs/dbraw/zinc/07/49/68/998074968.db2.gz JZYSWHNLRZMSBH-UHFFFAOYSA-N -2 3 366.782 2.719 20 30 FFEDHL COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196680669 1003895850 /nfs/dbraw/zinc/89/58/50/1003895850.db2.gz XJVSRRADZTZIAF-UHFFFAOYSA-N -2 3 366.782 2.505 20 30 FFEDHL Cc1ccc(-n2ncc(C#N)c2[N-]S(=O)(=O)c2ccc([O-])cc2)cc1 ZINC001195763611 1005032811 /nfs/dbraw/zinc/03/28/11/1005032811.db2.gz UJRDVVFJUYRSQC-UHFFFAOYSA-N -2 3 354.391 2.559 20 30 FFEDHL CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814813837 1006439015 /nfs/dbraw/zinc/43/90/15/1006439015.db2.gz KEDAXRRMRJVWLY-UHFFFAOYSA-N -2 3 364.365 2.871 20 30 FFEDHL C=CCCCNC(=O)c1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001152609082 1032202220 /nfs/dbraw/zinc/20/22/20/1032202220.db2.gz GHQXKSCYNBPOHO-UHFFFAOYSA-N -2 3 351.358 2.569 20 30 FFEDHL C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780125 1034834243 /nfs/dbraw/zinc/83/42/43/1034834243.db2.gz DUSIAFUTEADLJD-JTQLQIEISA-N -2 3 363.443 2.586 20 30 FFEDHL N#Cc1cc([N-]S(=O)(=O)c2ccccc2Br)ccc1[O-] ZINC001257384788 1038778888 /nfs/dbraw/zinc/77/88/88/1038778888.db2.gz ZMBCXOHBGOUHLR-UHFFFAOYSA-N -2 3 353.197 2.827 20 30 FFEDHL N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1 ZINC001259222112 1039813991 /nfs/dbraw/zinc/81/39/91/1039813991.db2.gz IHPJZJYZKMLBPI-DTORHVGOSA-N -2 3 360.794 2.538 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)cc1F ZINC001324358464 1045989346 /nfs/dbraw/zinc/98/93/46/1045989346.db2.gz UWWQKODUZMFSPM-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL C=C[C@@H](C)O[N-]C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001583408433 1079209569 /nfs/dbraw/zinc/20/95/69/1079209569.db2.gz MYFWFKFPFOULTG-GFCCVEGCSA-N -2 3 366.464 2.714 20 30 FFEDHL C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1 ZINC001588511529 1080064579 /nfs/dbraw/zinc/06/45/79/1080064579.db2.gz ZGKNXKARSRALKC-MGCOHNPYSA-N -2 3 359.806 2.648 20 30 FFEDHL Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)ccc1OCCCC(=O)[O-] ZINC000523870464 516598471 /nfs/dbraw/zinc/59/84/71/516598471.db2.gz JSZWRHJUOGDTGW-UHFFFAOYSA-N -2 3 374.418 2.911 20 30 FFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000572721324 518329408 /nfs/dbraw/zinc/32/94/08/518329408.db2.gz FFQKJYLZBYHLLH-QMMMGPOBSA-N -2 3 368.238 2.700 20 30 FFEDHL N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cn[n-]c1-c1c(F)cccc1F ZINC000574666672 519269359 /nfs/dbraw/zinc/26/93/59/519269359.db2.gz KRZKZPGYIHINKV-UHFFFAOYSA-N -2 3 354.320 2.501 20 30 FFEDHL N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1c[n-]nc1-c1c(F)cccc1F ZINC000574666672 519269364 /nfs/dbraw/zinc/26/93/64/519269364.db2.gz KRZKZPGYIHINKV-UHFFFAOYSA-N -2 3 354.320 2.501 20 30 FFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C1([C@@H](C)C(=O)[O-])CC1 ZINC000594681387 520082916 /nfs/dbraw/zinc/08/29/16/520082916.db2.gz NVGGWNCJXKTQCW-JTQLQIEISA-N -2 3 364.448 2.613 20 30 FFEDHL O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000826400456 607529675 /nfs/dbraw/zinc/52/96/75/607529675.db2.gz ZKLSNXOKLDHKFJ-HWKANZROSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000826400456 607529677 /nfs/dbraw/zinc/52/96/77/607529677.db2.gz ZKLSNXOKLDHKFJ-HWKANZROSA-N -2 3 355.285 2.516 20 30 FFEDHL N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000833965691 605654756 /nfs/dbraw/zinc/65/47/56/605654756.db2.gz DDRATYRYDFRPDV-ZDUSSCGKSA-N -2 3 367.361 2.512 20 30 FFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1)C(=O)[O-] ZINC000824738497 607884607 /nfs/dbraw/zinc/88/46/07/607884607.db2.gz PIXUPCXAABRWFQ-BZYZDCJZSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824738497 607884608 /nfs/dbraw/zinc/88/46/08/607884608.db2.gz PIXUPCXAABRWFQ-BZYZDCJZSA-N -2 3 364.361 2.615 20 30 FFEDHL O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826400445 607983068 /nfs/dbraw/zinc/98/30/68/607983068.db2.gz ZEGNBCBDBDBPLV-HYXAFXHYSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826400445 607983069 /nfs/dbraw/zinc/98/30/69/607983069.db2.gz ZEGNBCBDBDBPLV-HYXAFXHYSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C([O-])Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826461346 608878297 /nfs/dbraw/zinc/87/82/97/608878297.db2.gz QULCULIBJMTRRE-YWEYNIOJSA-N -2 3 352.325 2.529 20 30 FFEDHL O=C([O-])Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826461346 608878300 /nfs/dbraw/zinc/87/83/00/608878300.db2.gz QULCULIBJMTRRE-YWEYNIOJSA-N -2 3 352.325 2.529 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1Br ZINC000432775412 729869600 /nfs/dbraw/zinc/86/96/00/729869600.db2.gz IGUKLFOEIVFAHO-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL O=C(C=Cc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401302 948221909 /nfs/dbraw/zinc/22/19/09/948221909.db2.gz VDJMCQKVOTTZOQ-KTAJNNJTSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401302 948221918 /nfs/dbraw/zinc/22/19/18/948221918.db2.gz VDJMCQKVOTTZOQ-KTAJNNJTSA-N -2 3 355.285 2.516 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001599940520 985449037 /nfs/dbraw/zinc/44/90/37/985449037.db2.gz KDNRMQUTZXWCCF-UHFFFAOYSA-N -2 3 357.341 2.684 20 30 FFEDHL CC(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C#N)c1 ZINC001185598822 1003001332 /nfs/dbraw/zinc/00/13/32/1003001332.db2.gz VTWNWCUNZMCKET-UHFFFAOYSA-N -2 3 368.422 2.663 20 30 FFEDHL CC(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C#N)c1 ZINC001185598822 1003001343 /nfs/dbraw/zinc/00/13/43/1003001343.db2.gz VTWNWCUNZMCKET-UHFFFAOYSA-N -2 3 368.422 2.663 20 30 FFEDHL N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3[n-]c(=O)nc4nc[nH]c43)c2)c1 ZINC001196329907 1003744009 /nfs/dbraw/zinc/74/40/09/1003744009.db2.gz IJOAYCIFWBBJEZ-UHFFFAOYSA-N -2 3 372.344 2.555 20 30 FFEDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)ccc1[O-] ZINC001197241375 1004136715 /nfs/dbraw/zinc/13/67/15/1004136715.db2.gz UQNLVYDZKYWHBD-UHFFFAOYSA-N -2 3 366.782 2.505 20 30 FFEDHL O=C([O-])c1cc(S(=O)(=O)[N-]C2=CC(=O)CCC2)c(Cl)cc1Cl ZINC001192438816 1004169378 /nfs/dbraw/zinc/16/93/78/1004169378.db2.gz WWGIOOURLFIKGR-UHFFFAOYSA-N -2 3 364.206 2.607 20 30 FFEDHL C#C[C@H](C)Oc1c(-c2ccc(O)c(OC)c2)oc2cc([O-])cc([O-])c2c1=O ZINC001229791358 1036899935 /nfs/dbraw/zinc/89/99/35/1036899935.db2.gz PQYQPZDWPIJQKN-JTQLQIEISA-N -2 3 368.341 2.986 20 30 FFEDHL CCOC(=O)c1cc(C#N)c([N-]S(=O)(=O)Cc2ccccc2)c(C)c1[O-] ZINC001252880397 1039758976 /nfs/dbraw/zinc/75/89/76/1039758976.db2.gz TWBVCDYISRSFAY-UHFFFAOYSA-N -2 3 374.418 2.691 20 30 FFEDHL N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259220864 1039811962 /nfs/dbraw/zinc/81/19/62/1039811962.db2.gz UZQTZTHBYRIFHR-UHFFFAOYSA-N -3 3 370.745 2.555 20 30 FFEDHL N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC001260379149 1040566433 /nfs/dbraw/zinc/56/64/33/1040566433.db2.gz JBLBLJRGOXPCRF-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000011241200 506769926 /nfs/dbraw/zinc/76/99/26/506769926.db2.gz BSDITHLTBRVPJM-UHFFFAOYSA-N -2 3 366.826 2.762 20 30 FFEDHL CSc1[n-]c(=O)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1C#N ZINC000134216743 508509551 /nfs/dbraw/zinc/50/95/51/508509551.db2.gz WNLBVGURKMGPQH-UHFFFAOYSA-N -2 3 369.324 2.945 20 30 FFEDHL N#CC1CCC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CC1 ZINC000282136658 512086425 /nfs/dbraw/zinc/08/64/25/512086425.db2.gz IZEYBJUNNONSLQ-UHFFFAOYSA-N -2 3 374.821 2.786 20 30 FFEDHL CCn1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1C(=O)[O-] ZINC000391047803 512914182 /nfs/dbraw/zinc/91/41/82/512914182.db2.gz VUJCOPHCPCYTMR-UHFFFAOYSA-N -2 3 353.787 2.532 20 30 FFEDHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N(CCC#N)c2ccccc2)c1 ZINC000436649043 513930663 /nfs/dbraw/zinc/93/06/63/513930663.db2.gz QVZBTMKEQVVAKZ-UHFFFAOYSA-N -2 3 360.391 2.508 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000518294951 516605014 /nfs/dbraw/zinc/60/50/14/516605014.db2.gz WPWGEBSHFRYSRT-LBPRGKRZSA-N -2 3 374.802 2.516 20 30 FFEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000541000565 516822276 /nfs/dbraw/zinc/82/22/76/516822276.db2.gz KIGDVAUYQIWKEB-LLVKDONJSA-N -2 3 357.840 2.700 20 30 FFEDHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000548588244 517067902 /nfs/dbraw/zinc/06/79/02/517067902.db2.gz LJIZIURKRORBEI-GWCFXTLKSA-N -2 3 358.847 2.769 20 30 FFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000559333478 517190554 /nfs/dbraw/zinc/19/05/54/517190554.db2.gz QULULEVQQQMKJJ-OLZOCXBDSA-N -2 3 356.831 2.523 20 30 FFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CC(=O)[O-] ZINC000556714535 517596593 /nfs/dbraw/zinc/59/65/93/517596593.db2.gz HPSAPSQHUSSTBQ-GWCFXTLKSA-N -2 3 356.831 2.523 20 30 FFEDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c1 ZINC000539397890 518026991 /nfs/dbraw/zinc/02/69/91/518026991.db2.gz UHMPOVHTPGJWCU-UHFFFAOYSA-N -2 3 362.407 2.860 20 30 FFEDHL Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1 ZINC000738319550 600694652 /nfs/dbraw/zinc/69/46/52/600694652.db2.gz MHMGZNCUISMHAU-UHFFFAOYSA-N -2 3 374.418 2.911 20 30 FFEDHL Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826234306 609530246 /nfs/dbraw/zinc/53/02/46/609530246.db2.gz PTLMXOJMUKPLJB-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826234306 609530248 /nfs/dbraw/zinc/53/02/48/609530248.db2.gz PTLMXOJMUKPLJB-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000758774399 736519984 /nfs/dbraw/zinc/51/99/84/736519984.db2.gz QTFQCFGRWUDVCR-UHFFFAOYSA-N -2 3 350.783 2.921 20 30 FFEDHL C=CC(C)(C)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000840890603 747215183 /nfs/dbraw/zinc/21/51/83/747215183.db2.gz BOMQCZFUMPDVKY-UHFFFAOYSA-N -2 3 368.274 2.699 20 30 FFEDHL CC(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192438680 1004169640 /nfs/dbraw/zinc/16/96/40/1004169640.db2.gz OXKYFWKNJHRQBY-ZDUSSCGKSA-N -2 3 365.238 2.908 20 30 FFEDHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([O-])cc1C#N ZINC001190583140 1007709305 /nfs/dbraw/zinc/70/93/05/1007709305.db2.gz RALUFDSXJQLGQB-UHFFFAOYSA-N -2 3 366.782 2.505 20 30 FFEDHL C=CC[C@@H](C=C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229792826 1036898382 /nfs/dbraw/zinc/89/83/82/1036898382.db2.gz UBTXDAIWIMYFPX-LLVKDONJSA-N -2 3 358.346 2.955 20 30 FFEDHL CCc1oc(C)c([O-])c1Oc1c([O-])cc(C(=O)OCC(C)C)cc1[O-] ZINC001231247476 1037511526 /nfs/dbraw/zinc/51/15/26/1037511526.db2.gz MPHTZTCMKARMEB-JTQLQIEISA-N -3 3 350.367 2.899 20 30 FFEDHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CC(=O)[O-] ZINC000321734867 511821674 /nfs/dbraw/zinc/82/16/74/511821674.db2.gz JOIVKHDVSQXVIO-LBPRGKRZSA-N -2 3 358.847 2.627 20 30 FFEDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000325879199 511852268 /nfs/dbraw/zinc/85/22/68/511852268.db2.gz MBRDMJVYWJDQLB-UHFFFAOYSA-N -2 3 366.782 2.719 20 30 FFEDHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1C(=O)[O-] ZINC000326986161 511867682 /nfs/dbraw/zinc/86/76/82/511867682.db2.gz LPDKHOZGEZIXOZ-UHFFFAOYSA-N -2 3 360.391 2.650 20 30 FFEDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000561263453 516487169 /nfs/dbraw/zinc/48/71/69/516487169.db2.gz VTDWKFGFSBTNKO-UHFFFAOYSA-N -2 3 362.407 2.884 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCCCC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000548264110 516857139 /nfs/dbraw/zinc/85/71/39/516857139.db2.gz NXEUUQVIPIPKBT-JSGCOSHPSA-N -2 3 370.858 2.914 20 30 FFEDHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000548525853 517035879 /nfs/dbraw/zinc/03/58/79/517035879.db2.gz PNCKAUMNOMZIJK-UHFFFAOYSA-N -2 3 362.432 2.920 20 30 FFEDHL CC#CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000556775335 517650940 /nfs/dbraw/zinc/65/09/40/517650940.db2.gz IPZHMPMKVWUAPH-JTQLQIEISA-N -2 3 369.748 2.504 20 30 FFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1CCC(=O)[O-] ZINC000572958526 518439956 /nfs/dbraw/zinc/43/99/56/518439956.db2.gz KVJFOGWNJMOTNN-RISCZKNCSA-N -2 3 370.858 2.914 20 30 FFEDHL Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C(=O)[O-] ZINC000565891693 519184259 /nfs/dbraw/zinc/18/42/59/519184259.db2.gz ATQQUCHPSIOACU-UHFFFAOYSA-N -2 3 353.378 2.854 20 30 FFEDHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000594848376 520186191 /nfs/dbraw/zinc/18/61/91/520186191.db2.gz HVNWKJMPUSTOIL-RISCZKNCSA-N -2 3 370.858 2.769 20 30 FFEDHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CC(=O)[O-] ZINC000614366211 520928239 /nfs/dbraw/zinc/92/82/39/520928239.db2.gz PQFRBRGYUWQUNY-LLVKDONJSA-N -2 3 358.847 2.627 20 30 FFEDHL CC(C#N)=C([O-])N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000525490322 562249281 /nfs/dbraw/zinc/24/92/81/562249281.db2.gz PRRAFXYXIYUVOF-QMMMGPOBSA-N -2 3 366.162 2.779 20 30 FFEDHL CCC1CCC(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)(C(=O)[O-])CC1 ZINC000829086020 601275553 /nfs/dbraw/zinc/27/55/53/601275553.db2.gz FQISTKFIFNKOLB-UHFFFAOYSA-N -2 3 373.453 2.748 20 30 FFEDHL Cc1c(C(=O)[O-])oc2c1C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000822021194 606306034 /nfs/dbraw/zinc/30/60/34/606306034.db2.gz WZAKDELJVYHEGZ-YWEYNIOJSA-N -2 3 356.363 2.740 20 30 FFEDHL Cc1c(C(=O)[O-])oc2c1C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CC2 ZINC000822021194 606306036 /nfs/dbraw/zinc/30/60/36/606306036.db2.gz WZAKDELJVYHEGZ-YWEYNIOJSA-N -2 3 356.363 2.740 20 30 FFEDHL Cc1c(C(=O)C=Cc2cc(F)c([O-])c(F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015842 606627083 /nfs/dbraw/zinc/62/70/83/606627083.db2.gz PVSPFOGRFFVCJX-SNAWJCMRSA-N -2 3 371.347 2.803 20 30 FFEDHL Cc1c(C(=O)C=Cc2cc(F)c([O-])c(F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015842 606627085 /nfs/dbraw/zinc/62/70/85/606627085.db2.gz PVSPFOGRFFVCJX-SNAWJCMRSA-N -2 3 371.347 2.803 20 30 FFEDHL CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc(C(=O)[O-])ccc1F ZINC000825028662 607930850 /nfs/dbraw/zinc/93/08/50/607930850.db2.gz JOVKWCLQIYQKJU-UHFFFAOYSA-N -2 3 368.372 2.608 20 30 FFEDHL CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc(C(=O)[O-])ccc1F ZINC000825028662 607930851 /nfs/dbraw/zinc/93/08/51/607930851.db2.gz JOVKWCLQIYQKJU-UHFFFAOYSA-N -2 3 368.372 2.608 20 30 FFEDHL CC(C)(C)c1[n-]n(Cc2cccc(-c3nn[n-]n3)c2)c(=O)c1CCC#N ZINC000824141649 608153681 /nfs/dbraw/zinc/15/36/81/608153681.db2.gz LRIHLXPFSIWEAE-UHFFFAOYSA-N -2 3 351.414 2.571 20 30 FFEDHL O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000826400601 608880394 /nfs/dbraw/zinc/88/03/94/608880394.db2.gz CDABATZAVIHMPB-GORDUTHDSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000826400601 608880396 /nfs/dbraw/zinc/88/03/96/608880396.db2.gz CDABATZAVIHMPB-GORDUTHDSA-N -2 3 355.285 2.516 20 30 FFEDHL Cn1cc(C=CC(=O)c2ccccc2[O-])c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359993 609310479 /nfs/dbraw/zinc/31/04/79/609310479.db2.gz UVFLBRLLZLVFKW-KHPPLWFESA-N -2 3 372.388 2.869 20 30 FFEDHL CS(=O)(=O)[N-]c1ccsc1C(=O)[N-]c1c(C#N)oc2ccccc21 ZINC001196723953 1003929911 /nfs/dbraw/zinc/92/99/11/1003929911.db2.gz ZSWPHLDUBKQIOE-UHFFFAOYSA-N -2 3 361.404 2.990 20 30 FFEDHL C[C@](C#N)([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1ccccc1Cl ZINC001198800845 1004742652 /nfs/dbraw/zinc/74/26/52/1004742652.db2.gz DQXHJVKOGZCEPK-MRXNPFEDSA-N -2 3 364.810 2.755 20 30 FFEDHL COC(=O)c1nc(O[C@@H](/C(=N\[O-])c2ccccc2)c2ccccc2)n[n-]1 ZINC001228311640 1036042518 /nfs/dbraw/zinc/04/25/18/1036042518.db2.gz MEXMIKOJYRPBHU-YZLQOSHFSA-N -2 3 352.350 2.590 20 30 FFEDHL COC(=O)c1n[n-]c(O[C@@H](/C(=N\[O-])c2ccccc2)c2ccccc2)n1 ZINC001228311640 1036042538 /nfs/dbraw/zinc/04/25/38/1036042538.db2.gz MEXMIKOJYRPBHU-YZLQOSHFSA-N -2 3 352.350 2.590 20 30 FFEDHL C=C1O[C@@H](C)C(=O)C1Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234749315 1037167261 /nfs/dbraw/zinc/16/72/61/1037167261.db2.gz RELGLYWFMFOOFX-ZETCQYMHSA-N -2 3 370.313 2.661 20 30 FFEDHL N#CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCCC1 ZINC001259221481 1039812188 /nfs/dbraw/zinc/81/21/88/1039812188.db2.gz JAJBMKYWDJQBKC-UHFFFAOYSA-N -2 3 360.794 2.540 20 30 FFEDHL CC(C)C[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259226134 1039815329 /nfs/dbraw/zinc/81/53/29/1039815329.db2.gz PLPZXQVLGFVAAG-CQSZACIVSA-N -2 3 362.810 2.784 20 30 FFEDHL C[C@@H](Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1)C(=O)[O-] ZINC001590022907 1080948456 /nfs/dbraw/zinc/94/84/56/1080948456.db2.gz IXJKNAJUHNZEMF-CSXHZRMWSA-N -2 3 364.361 2.615 20 30 FFEDHL C[C@@H](Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1)C(=O)[O-] ZINC001590022907 1080948461 /nfs/dbraw/zinc/94/84/61/1080948461.db2.gz IXJKNAJUHNZEMF-CSXHZRMWSA-N -2 3 364.361 2.615 20 30 FFEDHL Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2[O-])cc1 ZINC000436645653 513929196 /nfs/dbraw/zinc/92/91/96/513929196.db2.gz CHBBJHGEGJVQLE-UHFFFAOYSA-N -2 3 374.418 2.816 20 30 FFEDHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000485035615 514883898 /nfs/dbraw/zinc/88/38/98/514883898.db2.gz PVDXGJURPPJCFR-LBPRGKRZSA-N -2 3 358.847 2.769 20 30 FFEDHL C=CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OC ZINC000470236705 516181501 /nfs/dbraw/zinc/18/15/01/516181501.db2.gz KKKUQOXXZDSUBX-SOFGYWHQSA-N -2 3 356.378 2.862 20 30 FFEDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c1 ZINC000540496601 516587114 /nfs/dbraw/zinc/58/71/14/516587114.db2.gz CKCWDYNGGIPPOZ-UHFFFAOYSA-N -2 3 362.407 2.860 20 30 FFEDHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000548588249 517068610 /nfs/dbraw/zinc/06/86/10/517068610.db2.gz LJIZIURKRORBEI-GXFFZTMASA-N -2 3 358.847 2.769 20 30 FFEDHL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)ccc1C#N ZINC000562435085 517106328 /nfs/dbraw/zinc/10/63/28/517106328.db2.gz IQIZMKYLTFXNLS-UHFFFAOYSA-N -2 3 352.318 2.644 20 30 FFEDHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CC(=O)[O-] ZINC000614366212 520928371 /nfs/dbraw/zinc/92/83/71/520928371.db2.gz PQFRBRGYUWQUNY-NSHDSACASA-N -2 3 358.847 2.627 20 30 FFEDHL O=C(C=Cc1ccc([N+](=O)[O-])c([O-])c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401215 948221537 /nfs/dbraw/zinc/22/15/37/948221537.db2.gz SNQGUTGTKWYKMM-QHHAFSJGSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1ccc([N+](=O)[O-])c([O-])c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401215 948221550 /nfs/dbraw/zinc/22/15/50/948221550.db2.gz SNQGUTGTKWYKMM-QHHAFSJGSA-N -2 3 355.285 2.516 20 30 FFEDHL C=CCn1ccc2c1ncnc2NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167934354 978177038 /nfs/dbraw/zinc/17/70/38/978177038.db2.gz RMRCYYQYFJIHDO-UHFFFAOYSA-N -2 3 370.349 2.702 20 30 FFEDHL N#CCc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1F ZINC001186193815 1003215654 /nfs/dbraw/zinc/21/56/54/1003215654.db2.gz XFTVOCMBMZCFMZ-UHFFFAOYSA-N -2 3 352.318 2.530 20 30 FFEDHL N#Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)ccc1[O-] ZINC001187003970 1003528417 /nfs/dbraw/zinc/52/84/17/1003528417.db2.gz JYOIAVBNXJJAGQ-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(F)c1Cl ZINC001198782939 1004727559 /nfs/dbraw/zinc/72/75/59/1004727559.db2.gz QHWJPDPPOHWNIF-UHFFFAOYSA-N -2 3 354.746 2.850 20 30 FFEDHL N#C[C@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1cccc(F)c1 ZINC001227598125 1035630050 /nfs/dbraw/zinc/63/00/50/1035630050.db2.gz VEJWMXUYBAPZBI-QMMMGPOBSA-N -2 3 364.134 2.604 20 30 FFEDHL CCc1oc(C)c([O-])c1Oc1c([O-])cc(Br)cc1C(=O)OC ZINC001229585794 1036764219 /nfs/dbraw/zinc/76/42/19/1036764219.db2.gz UHPVAVVNRZLXLN-SSDOTTSWSA-N -2 3 371.183 2.930 20 30 FFEDHL O=c1nc2cn[n-]c2c(O[C@@H]2Cc3ccccc3C#Cc3ccccc32)[n-]1 ZINC001233940935 1036834587 /nfs/dbraw/zinc/83/45/87/1036834587.db2.gz ZXCKHRSUUIRPTR-GOSISDBHSA-N -2 3 354.369 2.722 20 30 FFEDHL CC#C[C@H](CC)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229791639 1036899426 /nfs/dbraw/zinc/89/94/26/1036899426.db2.gz NPDJFOAEXQMMDU-NSHDSACASA-N -2 3 358.346 2.626 20 30 FFEDHL CCc1oc(C)c([O-])c1Oc1c([O-])cc(C(=O)OCC(C)C)cc1[O-] ZINC001231247477 1037511707 /nfs/dbraw/zinc/51/17/07/1037511707.db2.gz MPHTZTCMKARMEB-SNVBAGLBSA-N -3 3 350.367 2.899 20 30 FFEDHL N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001259058044 1039678547 /nfs/dbraw/zinc/67/85/47/1039678547.db2.gz BSQARXXOUGMZHN-UHFFFAOYSA-N -2 3 359.226 2.889 20 30 FFEDHL C=CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000123053482 508628750 /nfs/dbraw/zinc/62/87/50/508628750.db2.gz KACJJTBDGOITBI-UHFFFAOYSA-N -2 3 366.464 2.805 20 30 FFEDHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000321560079 511820407 /nfs/dbraw/zinc/82/04/07/511820407.db2.gz BHVRLARONWLKAU-WDEREUQCSA-N -2 3 358.847 2.769 20 30 FFEDHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000322402023 511824645 /nfs/dbraw/zinc/82/46/45/511824645.db2.gz UGTULBCIDJXCFY-ZFWWWQNUSA-N -2 3 356.831 2.523 20 30 FFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CC1CCCC1)C(=O)[O-] ZINC000547895237 516623198 /nfs/dbraw/zinc/62/31/98/516623198.db2.gz CXCJJWHHLNDVRE-CYBMUJFWSA-N -2 3 356.831 2.523 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1Cl ZINC000547933366 516641631 /nfs/dbraw/zinc/64/16/31/516641631.db2.gz PXDPZFQOTWNRGN-UHFFFAOYSA-N -2 3 372.736 2.989 20 30 FFEDHL CC1([C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C(=O)[O-])CCCCC1 ZINC000548029684 516715870 /nfs/dbraw/zinc/71/58/70/516715870.db2.gz ARZCCOPWSGKBBZ-CQSZACIVSA-N -2 3 370.858 2.914 20 30 FFEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000542858962 517785464 /nfs/dbraw/zinc/78/54/64/517785464.db2.gz JYPFQNQBMPVAAW-GFCCVEGCSA-N -2 3 355.799 2.540 20 30 FFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000564809066 518625620 /nfs/dbraw/zinc/62/56/20/518625620.db2.gz LTXJUURLZHYGLN-VIFPVBQESA-N -2 3 369.773 2.639 20 30 FFEDHL N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCC1(CC(=O)[O-])CCCCC1 ZINC000582949161 519001912 /nfs/dbraw/zinc/00/19/12/519001912.db2.gz WXSNZAGCKOJMRV-UHFFFAOYSA-N -2 3 368.430 2.791 20 30 FFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C ZINC000594672829 520077373 /nfs/dbraw/zinc/07/73/73/520077373.db2.gz GLZBXDWJZYLFFQ-CYBMUJFWSA-N -2 3 366.464 2.859 20 30 FFEDHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594848652 520186210 /nfs/dbraw/zinc/18/62/10/520186210.db2.gz PNHSOQWJLCQSIE-RISCZKNCSA-N -2 3 370.858 2.769 20 30 FFEDHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618632220 521154671 /nfs/dbraw/zinc/15/46/71/521154671.db2.gz PGRAMHKEDIHKHN-HNNXBMFYSA-N -2 3 374.393 2.670 20 30 FFEDHL N#CCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000619470049 521585045 /nfs/dbraw/zinc/58/50/45/521585045.db2.gz COLDFGJCSYAFLP-UHFFFAOYSA-N -2 3 350.783 2.905 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738230285 600112815 /nfs/dbraw/zinc/11/28/15/600112815.db2.gz PSTRPKNHOHAGCS-UHFFFAOYSA-N -2 3 372.352 2.789 20 30 FFEDHL O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000826400457 607529829 /nfs/dbraw/zinc/52/98/29/607529829.db2.gz ZKLSNXOKLDHKFJ-HYXAFXHYSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000826400457 607529830 /nfs/dbraw/zinc/52/98/30/607529830.db2.gz ZKLSNXOKLDHKFJ-HYXAFXHYSA-N -2 3 355.285 2.516 20 30 FFEDHL N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000833965690 605655105 /nfs/dbraw/zinc/65/51/05/605655105.db2.gz DDRATYRYDFRPDV-CYBMUJFWSA-N -2 3 367.361 2.512 20 30 FFEDHL CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001591829079 976090693 /nfs/dbraw/zinc/09/06/93/976090693.db2.gz CJHADRVVIBVEGP-SNVBAGLBSA-N -2 3 351.211 2.518 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001599940916 985453121 /nfs/dbraw/zinc/45/31/21/985453121.db2.gz XZDMRSIAMPRAHM-UHFFFAOYSA-N -2 3 371.368 2.993 20 30 FFEDHL CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(F)ccc2[O-])C1=O ZINC000793987684 1003543355 /nfs/dbraw/zinc/54/33/55/1003543355.db2.gz UOVATWLTCVOGKP-SFHVURJKSA-N -2 3 365.405 2.847 20 30 FFEDHL CCOC(=O)c1cc(C#N)c(NC(=O)c2c(C)cc(O)cc2[O-])c(C)c1[O-] ZINC001193936060 1004608569 /nfs/dbraw/zinc/60/85/69/1004608569.db2.gz JDJDJRZAEAYKDR-UHFFFAOYSA-N -2 3 370.361 2.721 20 30 FFEDHL N#Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001188308841 1006529035 /nfs/dbraw/zinc/52/90/35/1006529035.db2.gz NGMGMGUHOMDAST-UHFFFAOYSA-N -2 3 354.746 2.850 20 30 FFEDHL O=C([O-])c1cc(S(=O)(=O)[N-]CC#Cc2ccccc2)c(F)cc1Cl ZINC001259224049 1039814471 /nfs/dbraw/zinc/81/44/71/1039814471.db2.gz RFNPVNJPTYHMPI-UHFFFAOYSA-N -2 3 367.785 2.507 20 30 FFEDHL C=CCc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc(OC)c1O ZINC000436575754 513902544 /nfs/dbraw/zinc/90/25/44/513902544.db2.gz JVJGEACZAZFZFA-VOTSOKGWSA-N -2 3 356.378 2.731 20 30 FFEDHL CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000433530842 514509607 /nfs/dbraw/zinc/50/96/07/514509607.db2.gz RYRVXGLWVZVTOX-UHFFFAOYSA-N -3 3 360.391 2.692 20 30 FFEDHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC(=O)[O-] ZINC000548553530 517050275 /nfs/dbraw/zinc/05/02/75/517050275.db2.gz FFJZJKWJZRJUEP-NSHDSACASA-N -2 3 358.847 2.627 20 30 FFEDHL CC(C)[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccc(C#N)o2)(C(=O)[O-])c2ccccc21 ZINC000548769554 517203894 /nfs/dbraw/zinc/20/38/94/517203894.db2.gz BDRXMXVLXDERJP-KSSFIOAISA-N -2 3 374.418 2.553 20 30 FFEDHL CC(=O)c1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1[O-] ZINC000584545633 518392498 /nfs/dbraw/zinc/39/24/98/518392498.db2.gz BIVPSJFJEWVKIR-UHFFFAOYSA-N -2 3 353.378 2.755 20 30 FFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000567218115 518410206 /nfs/dbraw/zinc/41/02/06/518410206.db2.gz SXBCZCJFRGAXLU-MRVPVSSYSA-N -2 3 368.238 2.700 20 30 FFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c1 ZINC000614314449 520904471 /nfs/dbraw/zinc/90/44/71/520904471.db2.gz GUZVRMLLFSGOSP-LLVKDONJSA-N -2 3 370.839 2.767 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000818758744 597312570 /nfs/dbraw/zinc/31/25/70/597312570.db2.gz CRUCCRDFNHKYIJ-UHFFFAOYSA-N -2 3 354.362 2.650 20 30 FFEDHL C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736096959 600264577 /nfs/dbraw/zinc/26/45/77/600264577.db2.gz UIHDSJIOAWBXEI-SSDOTTSWSA-N -2 3 366.208 2.529 20 30 FFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1)C(=O)[O-] ZINC000820533364 606305351 /nfs/dbraw/zinc/30/53/51/606305351.db2.gz DSTSBCKFSZTADR-WWQCOOJYSA-N -2 3 370.390 2.676 20 30 FFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1)C(=O)[O-] ZINC000820533364 606305353 /nfs/dbraw/zinc/30/53/53/606305353.db2.gz DSTSBCKFSZTADR-WWQCOOJYSA-N -2 3 370.390 2.676 20 30 FFEDHL O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826400826 608883970 /nfs/dbraw/zinc/88/39/70/608883970.db2.gz JIZXYDSQEMGEGK-DJWKRKHSSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826400826 608883975 /nfs/dbraw/zinc/88/39/75/608883975.db2.gz JIZXYDSQEMGEGK-DJWKRKHSSA-N -2 3 355.285 2.516 20 30 FFEDHL Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(Cl)c2[O-])n1 ZINC000775932866 738144044 /nfs/dbraw/zinc/14/40/44/738144044.db2.gz DXVVCMNKHYIJMT-SNVBAGLBSA-N -2 3 350.783 2.844 20 30 FFEDHL C=C(C)COCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000844896689 748128145 /nfs/dbraw/zinc/12/81/45/748128145.db2.gz HULALKDOMDNJFM-UHFFFAOYSA-N -2 3 368.238 2.563 20 30 FFEDHL COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)c(C)cc1[O-] ZINC001195384824 1004957854 /nfs/dbraw/zinc/95/78/54/1004957854.db2.gz BJXRYUADOKMMPE-UHFFFAOYSA-N -2 3 374.418 2.777 20 30 FFEDHL N#CCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001116663070 1021341332 /nfs/dbraw/zinc/34/13/32/1021341332.db2.gz JQBUHKVHPGQKGY-UHFFFAOYSA-N -2 3 352.318 2.530 20 30 FFEDHL C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001588736417 1080176709 /nfs/dbraw/zinc/17/67/09/1080176709.db2.gz YXHGVKULKLYNSG-SSDOTTSWSA-N -2 3 366.208 2.529 20 30 FFEDHL C=CCCC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC001588799004 1080202236 /nfs/dbraw/zinc/20/22/36/1080202236.db2.gz XUDSGTZSLFRBPJ-ZDUSSCGKSA-N -2 3 366.464 2.898 20 30 FFEDHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000321560071 511820209 /nfs/dbraw/zinc/82/02/09/511820209.db2.gz BHVRLARONWLKAU-GHMZBOCLSA-N -2 3 358.847 2.769 20 30 FFEDHL C[C@H]1CCC[C@@]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)(C(=O)[O-])C1 ZINC000558591271 516825440 /nfs/dbraw/zinc/82/54/40/516825440.db2.gz ZCUHANRVEVGYCJ-BONVTDFDSA-N -2 3 356.831 2.523 20 30 FFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000562651616 517271272 /nfs/dbraw/zinc/27/12/72/517271272.db2.gz JWMLCEDZIIJDQO-SNVBAGLBSA-N -2 3 372.493 2.878 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])c(Cl)c1 ZINC000517014354 517975797 /nfs/dbraw/zinc/97/57/97/517975797.db2.gz LDJKSWDPYUKIOJ-TZMCWYRMSA-N -2 3 370.858 2.914 20 30 FFEDHL N#CCc1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000619470114 521584784 /nfs/dbraw/zinc/58/47/84/521584784.db2.gz KVCUGNYYRGDUEW-UHFFFAOYSA-N -2 3 350.783 2.905 20 30 FFEDHL O=c1cc(N2CC[C@@H](N=Cc3cc(Cl)cc(Cl)c3[O-])C2)nc[n-]1 ZINC000899232214 735462662 /nfs/dbraw/zinc/46/26/62/735462662.db2.gz LGCIMYRHTJMKSS-LPCKLDLISA-N -2 3 353.209 2.892 20 30 FFEDHL O=C(C=Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400296 948217048 /nfs/dbraw/zinc/21/70/48/948217048.db2.gz UZMHQSXZPHNINR-QHHAFSJGSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400296 948217057 /nfs/dbraw/zinc/21/70/57/948217057.db2.gz UZMHQSXZPHNINR-QHHAFSJGSA-N -2 3 355.285 2.516 20 30 FFEDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C#N)ccc1[O-] ZINC001197240814 1004136529 /nfs/dbraw/zinc/13/65/29/1004136529.db2.gz KMFIHGSFWFBWPR-UHFFFAOYSA-N -2 3 374.418 2.975 20 30 FFEDHL CC(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192438678 1004169572 /nfs/dbraw/zinc/16/95/72/1004169572.db2.gz OXKYFWKNJHRQBY-CYBMUJFWSA-N -2 3 365.238 2.908 20 30 FFEDHL CC[C@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193288279 1004440406 /nfs/dbraw/zinc/44/04/06/1004440406.db2.gz ILBDBPCIIJHNKA-CYBMUJFWSA-N -2 3 373.434 2.615 20 30 FFEDHL COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc([O-])c(Cl)cc2F)c1 ZINC001193680278 1004548850 /nfs/dbraw/zinc/54/88/50/1004548850.db2.gz GIXPGVKSUIYQLE-UHFFFAOYSA-N -2 3 356.762 2.866 20 30 FFEDHL N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001195489941 1004976620 /nfs/dbraw/zinc/97/66/20/1004976620.db2.gz IPFOUQXBWLVUPY-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL C#C[C@@H](C)Oc1c(-c2cc(O)c([O-])c(O)c2)oc2cc([O-])ccc2c1=O ZINC001227647630 1035655851 /nfs/dbraw/zinc/65/58/51/1035655851.db2.gz CCYKBYJKUNUBAL-SECBINFHSA-N -2 3 354.314 2.683 20 30 FFEDHL C=CC[C@H](C=C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229792827 1036898936 /nfs/dbraw/zinc/89/89/36/1036898936.db2.gz UBTXDAIWIMYFPX-NSHDSACASA-N -2 3 358.346 2.955 20 30 FFEDHL N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251228342 1039020315 /nfs/dbraw/zinc/02/03/15/1039020315.db2.gz GCBYPVMRRHRSAO-UHFFFAOYSA-N -2 3 364.251 2.760 20 30 FFEDHL N#Cc1cccc(S(=O)(=O)[N-]c2c(Cl)c(F)[n-]c(=O)c2Cl)c1 ZINC001259118788 1039728370 /nfs/dbraw/zinc/72/83/70/1039728370.db2.gz YIFPTMNDDOMPSZ-UHFFFAOYSA-N -2 3 362.169 2.906 20 30 FFEDHL CCOC(=O)c1cc(C#N)c([N-]S(=O)(=O)C2CCCCC2)c(C)c1[O-] ZINC001259814560 1040222157 /nfs/dbraw/zinc/22/21/57/1040222157.db2.gz FVIYEMCJIPKHGQ-UHFFFAOYSA-N -2 3 366.439 2.823 20 30 FFEDHL C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC001588498096 1080059589 /nfs/dbraw/zinc/05/95/89/1080059589.db2.gz WDXZHWJJJZJHPL-UHFFFAOYSA-N -2 3 373.430 2.862 20 30 FFEDHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000322435175 511824658 /nfs/dbraw/zinc/82/46/58/511824658.db2.gz YWGGFZMQDJQGQB-LLVKDONJSA-N 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C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594670915 520077303 /nfs/dbraw/zinc/07/73/03/520077303.db2.gz CORXGCZKQPKHDY-GFCCVEGCSA-N -2 3 364.448 2.779 20 30 FFEDHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593945829 521307087 /nfs/dbraw/zinc/30/70/87/521307087.db2.gz YECVCIYTXSTHQY-JIMOISOXSA-N -2 3 370.858 2.625 20 30 FFEDHL Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)n[n-]2)o1 ZINC000738487598 600612840 /nfs/dbraw/zinc/61/28/40/600612840.db2.gz BZUYEXVIWMUZBO-INIZCTEOSA-N -2 3 351.318 2.833 20 30 FFEDHL CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc(F)c([O-])c(F)c2)o1 ZINC000819965637 606622935 /nfs/dbraw/zinc/62/29/35/606622935.db2.gz KWXLVUIPXKJDDB-UHFFFAOYSA-N -2 3 363.328 2.582 20 30 FFEDHL CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(F)c([O-])c(F)c2)o1 ZINC000819965637 606622937 /nfs/dbraw/zinc/62/29/37/606622937.db2.gz KWXLVUIPXKJDDB-UHFFFAOYSA-N -2 3 363.328 2.582 20 30 FFEDHL O=C(C=Cc1ccc([N+](=O)[O-])c([O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401023 609271370 /nfs/dbraw/zinc/27/13/70/609271370.db2.gz NGJZNOGVMSWJOF-QHHAFSJGSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1ccc([N+](=O)[O-])c([O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401023 609271372 /nfs/dbraw/zinc/27/13/72/609271372.db2.gz NGJZNOGVMSWJOF-QHHAFSJGSA-N -2 3 355.285 2.516 20 30 FFEDHL C[C@@H]1C(=N[N-]S(=O)(=O)Cc2ccccc2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814815770 741867611 /nfs/dbraw/zinc/86/76/11/741867611.db2.gz DIOFVUARTYHGGW-OCCSQVGLSA-N -2 3 352.456 2.619 20 30 FFEDHL CCN(CC)Cc1cc(C(C)=NNc2[n-]cnc3ncnc2-3)ccc1[O-] ZINC000917555458 990243408 /nfs/dbraw/zinc/24/34/08/990243408.db2.gz RCPSRMGVVWBKLO-UHFFFAOYSA-N -2 3 353.430 2.736 20 30 FFEDHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C#N)c(Cl)c1 ZINC001193353429 1004458904 /nfs/dbraw/zinc/45/89/04/1004458904.db2.gz AUWLGFNCSILCEE-UHFFFAOYSA-N -2 3 365.798 2.676 20 30 FFEDHL N#Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccc([O-])cc1 ZINC001195810807 1005049481 /nfs/dbraw/zinc/04/94/81/1005049481.db2.gz NEARFJVLHOKBJV-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc([O-])c2Br)c1 ZINC001190657724 1007738222 /nfs/dbraw/zinc/73/82/22/1007738222.db2.gz IVZDRYDBBKEXEY-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1[O-] ZINC001190969518 1007854581 /nfs/dbraw/zinc/85/45/81/1007854581.db2.gz CAKMFGXRJDHTFC-UHFFFAOYSA-N -2 3 350.783 2.921 20 30 FFEDHL O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N([O-])Cc1ccc(F)cc1 ZINC000900095857 1020188173 /nfs/dbraw/zinc/18/81/73/1020188173.db2.gz LTZQOAVLAGNOHN-UHFFFAOYSA-N -2 3 373.409 2.632 20 30 FFEDHL N#C[C@@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1ccccc1F ZINC001227596030 1035627549 /nfs/dbraw/zinc/62/75/49/1035627549.db2.gz GGIPXYUECUDUOV-MRVPVSSYSA-N -2 3 364.134 2.604 20 30 FFEDHL C=CCCSCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001588814583 1080206205 /nfs/dbraw/zinc/20/62/05/1080206205.db2.gz GACFQZOWMIXLSF-UHFFFAOYSA-N -2 3 367.851 2.765 20 30 FFEDHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000391158430 512915395 /nfs/dbraw/zinc/91/53/95/512915395.db2.gz BRMSBUVLBGMPNU-DZGCQCFKSA-N -2 3 356.831 2.523 20 30 FFEDHL N#CC1(CS(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2F)CCCCC1 ZINC000547914639 516631915 /nfs/dbraw/zinc/63/19/15/516631915.db2.gz JEMUDQNLZXVUTE-OAHLLOKOSA-N -2 3 368.430 2.735 20 30 FFEDHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)(CC(=O)[O-])C1 ZINC000548551500 517050611 /nfs/dbraw/zinc/05/06/11/517050611.db2.gz ZYVVPENNYFAGTP-BDJLRTHQSA-N -2 3 370.858 2.771 20 30 FFEDHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-] ZINC000548596298 517075014 /nfs/dbraw/zinc/07/50/14/517075014.db2.gz JPPZAJIRUIZMTM-GXFFZTMASA-N -2 3 358.847 2.769 20 30 FFEDHL CC1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)(C(=O)[O-])CC1 ZINC000548837036 517246049 /nfs/dbraw/zinc/24/60/49/517246049.db2.gz DGTBJFIYIMHUAY-UHFFFAOYSA-N -2 3 356.831 2.523 20 30 FFEDHL N#Cc1sccc1S(=O)(=O)[N-]CCC1(CC(=O)[O-])CCCCC1 ZINC000593271911 520873916 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CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)ccc1[O-] ZINC000480738404 515064377 /nfs/dbraw/zinc/06/43/77/515064377.db2.gz XLRLRWAXLYBVJN-UHFFFAOYSA-N -2 3 373.434 2.953 20 30 FFEDHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000547932803 516639977 /nfs/dbraw/zinc/63/99/77/516639977.db2.gz JHYORYNCUFZZCP-QWRGUYRKSA-N -2 3 358.847 2.769 20 30 FFEDHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000547932348 516640145 /nfs/dbraw/zinc/64/01/45/516640145.db2.gz ANKJVUCJKQZJHC-GHMZBOCLSA-N -2 3 358.847 2.769 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])c(Cl)c1 ZINC000517014352 517975361 /nfs/dbraw/zinc/97/53/61/517975361.db2.gz LDJKSWDPYUKIOJ-JSGCOSHPSA-N -2 3 370.858 2.914 20 30 FFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000614314451 520904866 /nfs/dbraw/zinc/90/48/66/520904866.db2.gz GUZVRMLLFSGOSP-NSHDSACASA-N -2 3 370.839 2.767 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c(Cl)c1 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JPXVDNFKFWCFMY-UHFFFAOYSA-N -2 3 357.420 2.885 20 30 FFEDHL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1C#N ZINC000826299796 743378369 /nfs/dbraw/zinc/37/83/69/743378369.db2.gz VOSRCIYHPJZYLX-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1C#N ZINC000826299796 743378377 /nfs/dbraw/zinc/37/83/77/743378377.db2.gz VOSRCIYHPJZYLX-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL C=C[C@H](C)O[N-]C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000846545279 748499705 /nfs/dbraw/zinc/49/97/05/748499705.db2.gz VKIJDDNZIDLVAK-ZDUSSCGKSA-N -2 3 361.467 2.868 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001599940736 985451608 /nfs/dbraw/zinc/45/16/08/985451608.db2.gz PWZLOLKGDWILJP-QGZVFWFLSA-N -2 3 373.453 2.606 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(C(=O)[O-])ccc1F ZINC001599941431 985459872 /nfs/dbraw/zinc/45/98/72/985459872.db2.gz KEXAKBFJNYGFQC-UHFFFAOYSA-N -2 3 372.352 2.789 20 30 FFEDHL COc1cc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c(OC)cc1[O-] ZINC000763103883 989038189 /nfs/dbraw/zinc/03/81/89/989038189.db2.gz HMNCNDPRXDOQRM-SREVYHEPSA-N -2 3 358.346 2.769 20 30 FFEDHL COc1cc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C(=O)[O-] ZINC001599445448 998001951 /nfs/dbraw/zinc/00/19/51/998001951.db2.gz HIYYCVRYZSQZCF-UHFFFAOYSA-N -2 3 370.361 2.521 20 30 FFEDHL N#CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193284548 1004437778 /nfs/dbraw/zinc/43/77/78/1004437778.db2.gz UZEOZHDTSKIUBN-UHFFFAOYSA-N -2 3 373.434 2.617 20 30 FFEDHL C#CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000794711492 1010563731 /nfs/dbraw/zinc/56/37/31/1010563731.db2.gz FAVPOBSFPDULPK-CLFYSBASSA-N -2 3 368.389 2.699 20 30 FFEDHL C=C1O[C@H](C)C(=O)C1Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227307177 1035501253 /nfs/dbraw/zinc/50/12/53/1035501253.db2.gz SFWIDWMHABKNGO-MRVPVSSYSA-N -2 3 354.314 2.956 20 30 FFEDHL N#Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)ccc1Cl ZINC000427310535 514179406 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363.333 2.693 20 30 FFEDHL Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)n[n-]2)o1 ZINC000832906009 601349334 /nfs/dbraw/zinc/34/93/34/601349334.db2.gz NHOQOTLHRCYWFO-INIZCTEOSA-N -2 3 351.318 2.833 20 30 FFEDHL C=CCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000823931603 607533089 /nfs/dbraw/zinc/53/30/89/607533089.db2.gz AQINRRPPSZZOKU-UHFFFAOYSA-N -2 3 371.422 2.541 20 30 FFEDHL C=CCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000823931603 607533091 /nfs/dbraw/zinc/53/30/91/607533091.db2.gz AQINRRPPSZZOKU-UHFFFAOYSA-N -2 3 371.422 2.541 20 30 FFEDHL C[C@H](Oc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1)C(=O)[O-] ZINC000824737117 608092606 /nfs/dbraw/zinc/09/26/06/608092606.db2.gz BWVYWCJHRDROJT-PORFMDCZSA-N -2 3 370.390 2.676 20 30 FFEDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000766047824 737186593 /nfs/dbraw/zinc/18/65/93/737186593.db2.gz WUTHCPIFVWOFMM-UHFFFAOYSA-N -2 3 350.783 2.921 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001599940735 985451640 /nfs/dbraw/zinc/45/16/40/985451640.db2.gz PWZLOLKGDWILJP-KRWDZBQOSA-N -2 3 373.453 2.606 20 30 FFEDHL N#Cc1c(F)c(Br)ccc1[N-]S(=O)(=O)c1ccc([O-])cc1 ZINC001195802810 1005047124 /nfs/dbraw/zinc/04/71/24/1005047124.db2.gz NDKQVTCTBSXTTM-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL COC(=O)c1cc([O-])cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190972790 1007856131 /nfs/dbraw/zinc/85/61/31/1007856131.db2.gz KYSGVIWWHFDJIY-UHFFFAOYSA-N -2 3 366.782 2.505 20 30 FFEDHL C#CC(C#C)Oc1c(-c2ccc(OC)cc2)oc2cc([O-])cc([O-])c2c1=O ZINC001229671907 1036816645 /nfs/dbraw/zinc/81/66/45/1036816645.db2.gz MTLUYMXJFYHCBY-UHFFFAOYSA-N -2 3 362.337 2.894 20 30 FFEDHL O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N([O-])Cc1cccc2ccccc21 ZINC001472623044 1065114187 /nfs/dbraw/zinc/11/41/87/1065114187.db2.gz UQWZSNCIDJOBPD-UHFFFAOYSA-N -2 3 362.345 2.621 20 30 FFEDHL C=C(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001588637162 1080130922 /nfs/dbraw/zinc/13/09/22/1080130922.db2.gz 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362.382 2.582 20 30 FFEDHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)CC(=O)[O-] ZINC000548553401 517049467 /nfs/dbraw/zinc/04/94/67/517049467.db2.gz ARERTQJRGWJTAF-NSHDSACASA-N -2 3 358.847 2.627 20 30 FFEDHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-] ZINC000548596299 517075534 /nfs/dbraw/zinc/07/55/34/517075534.db2.gz JPPZAJIRUIZMTM-MFKMUULPSA-N -2 3 358.847 2.769 20 30 FFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000517075271 518015540 /nfs/dbraw/zinc/01/55/40/518015540.db2.gz IUGAIOSXCYFTSM-VIFPVBQESA-N -2 3 355.309 2.542 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740028571 602202844 /nfs/dbraw/zinc/20/28/44/602202844.db2.gz UAXVMYLFIGSGCN-UHFFFAOYSA-N -2 3 368.393 2.615 20 30 FFEDHL O=C([N-]CCCC(F)(F)F)C(F)(F)C(=O)[N-]CCCC(F)(F)F ZINC000865945485 731013964 /nfs/dbraw/zinc/01/39/64/731013964.db2.gz DNYCBFMUNTWTAU-UHFFFAOYSA-N -2 3 358.229 2.539 20 30 FFEDHL CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001593863475 996663254 /nfs/dbraw/zinc/66/32/54/996663254.db2.gz GSRITEWYSFMWDY-CYBMUJFWSA-N -2 3 363.222 2.662 20 30 FFEDHL N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC001257983610 1039094637 /nfs/dbraw/zinc/09/46/37/1039094637.db2.gz KAHWHUMNFLOPOP-UHFFFAOYSA-N -2 3 358.297 2.963 20 30 FFEDHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000322402022 511824341 /nfs/dbraw/zinc/82/43/41/511824341.db2.gz UGTULBCIDJXCFY-UKRRQHHQSA-N -2 3 356.831 2.523 20 30 FFEDHL CC1([C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C(=O)[O-])CCCCC1 ZINC000547701894 516507922 /nfs/dbraw/zinc/50/79/22/516507922.db2.gz FUWOXZNLFITRBY-AWEZNQCLSA-N -2 3 370.858 2.914 20 30 FFEDHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC(=O)[O-] ZINC000547886456 516618470 /nfs/dbraw/zinc/61/84/70/516618470.db2.gz BNYCGGXHWNSMQV-LLVKDONJSA-N -2 3 358.847 2.627 20 30 FFEDHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000548218437 516832743 /nfs/dbraw/zinc/83/27/43/516832743.db2.gz YVUOLSIQWREQDW-DZGCQCFKSA-N -2 3 356.831 2.523 20 30 FFEDHL N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000562442842 517109712 /nfs/dbraw/zinc/10/97/12/517109712.db2.gz LDTMIYVZJISQGG-UHFFFAOYSA-N -2 3 371.187 2.966 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1F ZINC000565634616 519053859 /nfs/dbraw/zinc/05/38/59/519053859.db2.gz TYMQOEDEXVAMPW-UHFFFAOYSA-N -2 3 354.746 2.850 20 30 FFEDHL N#Cc1ccc(S(=O)(=O)[N-]CCC2(CC(=O)[O-])CCCCC2)s1 ZINC000581175772 519559022 /nfs/dbraw/zinc/55/90/22/519559022.db2.gz UEWOZTYFSGMQGY-UHFFFAOYSA-N -2 3 356.469 2.713 20 30 FFEDHL C=CCC1(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCCC1 ZINC000593312356 520900069 /nfs/dbraw/zinc/90/00/69/520900069.db2.gz WPIXYTVRUOKJMK-UHFFFAOYSA-N -2 3 368.411 2.708 20 30 FFEDHL COc1ccc(C=CC(=O)c2csc(C(=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000737080841 599154864 /nfs/dbraw/zinc/15/48/64/599154864.db2.gz HVBPIQCVUDHGFX-DUXPYHPUSA-N -2 3 356.363 2.531 20 30 FFEDHL COc1ccc(C=CC(=O)c2csc(C(=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000737080841 599154867 /nfs/dbraw/zinc/15/48/67/599154867.db2.gz HVBPIQCVUDHGFX-DUXPYHPUSA-N -2 3 356.363 2.531 20 30 FFEDHL O=C(C=Cc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400881 609271238 /nfs/dbraw/zinc/27/12/38/609271238.db2.gz KHLXDLGMXCHUKZ-ORCRQEGFSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400881 609271239 /nfs/dbraw/zinc/27/12/39/609271239.db2.gz KHLXDLGMXCHUKZ-ORCRQEGFSA-N -2 3 355.285 2.516 20 30 FFEDHL CC(=N[N-]S(=O)(=O)Cc1ccccc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814815736 741867574 /nfs/dbraw/zinc/86/75/74/741867574.db2.gz BRTGSHBCYRCODQ-CABCVRRESA-N -2 3 352.456 2.619 20 30 FFEDHL CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(F)ccc2[O-])C1=O ZINC000793987677 1003543493 /nfs/dbraw/zinc/54/34/93/1003543493.db2.gz UOVATWLTCVOGKP-GOSISDBHSA-N -2 3 365.405 2.847 20 30 FFEDHL C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(OCCP(=O)([O-])[O-])[C@@H]12 ZINC001224601599 1033948567 /nfs/dbraw/zinc/94/85/67/1033948567.db2.gz INUJWAWETJPPJQ-QBYUYEEZSA-N -2 3 356.355 2.558 20 30 FFEDHL C#C[C@H]1CCC[C@@H]1Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229792873 1036902091 /nfs/dbraw/zinc/90/20/91/1036902091.db2.gz UMJNXFGIGOYMGJ-QFYYESIMSA-N -2 3 370.357 2.626 20 30 FFEDHL CC[C@H](C#CC(=O)OC)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234744653 1037162105 /nfs/dbraw/zinc/16/21/05/1037162105.db2.gz WHJWNSVYGASUAW-GFCCVEGCSA-N -2 3 368.341 2.691 20 30 FFEDHL N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001255802175 1038175210 /nfs/dbraw/zinc/17/52/10/1038175210.db2.gz PGNUNIKKZUUMQH-UHFFFAOYSA-N -2 3 358.297 2.963 20 30 FFEDHL C=CCCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001573364839 1077683572 /nfs/dbraw/zinc/68/35/72/1077683572.db2.gz CPNRWBCOJXQRHC-CYBMUJFWSA-N -2 3 350.396 2.749 20 30 FFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(Cl)c1 ZINC000322817057 511827260 /nfs/dbraw/zinc/82/72/60/511827260.db2.gz DEVRPFVNRZZYRH-UHFFFAOYSA-N -2 3 354.746 2.850 20 30 FFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CC1CCCC1)C(=O)[O-] ZINC000547895475 516622849 /nfs/dbraw/zinc/62/28/49/516622849.db2.gz DZUISJSJASVPAU-CYBMUJFWSA-N -2 3 356.831 2.523 20 30 FFEDHL C[C@@H]1CCC[C@]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)(C(=O)[O-])C1 ZINC000558591272 516824663 /nfs/dbraw/zinc/82/46/63/516824663.db2.gz ZCUHANRVEVGYCJ-MEBBXXQBSA-N -2 3 356.831 2.523 20 30 FFEDHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000548219598 516833349 /nfs/dbraw/zinc/83/33/49/516833349.db2.gz PCYKVKISLJAFKN-DZGCQCFKSA-N -2 3 356.831 2.523 20 30 FFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccsc1 ZINC000548524797 517034105 /nfs/dbraw/zinc/03/41/05/517034105.db2.gz AVZQQKMEIQSPGL-LBPRGKRZSA-N -2 3 370.839 2.767 20 30 FFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000576323551 518535061 /nfs/dbraw/zinc/53/50/61/518535061.db2.gz MWDIPXNUBTZNSI-VIFPVBQESA-N -2 3 355.309 2.542 20 30 FFEDHL N#Cc1cc(F)ccc1CS(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000565930746 519202339 /nfs/dbraw/zinc/20/23/39/519202339.db2.gz DEEAIJXORVZNMO-UHFFFAOYSA-N -2 3 373.365 2.819 20 30 FFEDHL CSc1ccc([C@H](CC(=O)[O-])/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000738199496 599843109 /nfs/dbraw/zinc/84/31/09/599843109.db2.gz MOSMDKPKOPIHIZ-FCASDWRQSA-N -2 3 360.435 2.945 20 30 FFEDHL O=C(C=Cc1ccc([N+](=O)[O-])c([O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401022 609271090 /nfs/dbraw/zinc/27/10/90/609271090.db2.gz NGJZNOGVMSWJOF-KXFIGUGUSA-N -2 3 355.285 2.516 20 30 FFEDHL O=C(C=Cc1ccc([N+](=O)[O-])c([O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401022 609271091 /nfs/dbraw/zinc/27/10/91/609271091.db2.gz NGJZNOGVMSWJOF-KXFIGUGUSA-N -2 3 355.285 2.516 20 30 FFEDHL Cc1ccc(Nc2nc(Cl)c(C=Nn3c(=O)[n-][n-]c3=O)s2)cc1 ZINC000814233034 741804875 /nfs/dbraw/zinc/80/48/75/741804875.db2.gz YBKZKIWNCXQJIZ-UHFFFAOYSA-N -2 3 350.791 2.733 20 30 FFEDHL Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1C#N ZINC000826299710 743378654 /nfs/dbraw/zinc/37/86/54/743378654.db2.gz QTPXKJQSWJYOQV-UHFFFAOYSA-N -2 3 374.813 2.501 20 30 FFEDHL C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000384188600 845824477 /nfs/dbraw/zinc/82/44/77/845824477.db2.gz UJHXCFHAJOBTDV-CYBMUJFWSA-N -2 3 350.223 2.772 20 30 FFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(F)c1 ZINC000135367198 958889353 /nfs/dbraw/zinc/88/93/53/958889353.db2.gz XRIMHZNKQNZGCJ-UHFFFAOYSA-N -2 3 354.746 2.850 20 30 FFEDHL O=C(/C=C/[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC001251436761 1039130078 /nfs/dbraw/zinc/13/00/78/1039130078.db2.gz OAXIEILOULSNHO-OWOJBTEDSA-N -2 3 364.128 2.622 20 30 FFEDHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000391218704 512915885 /nfs/dbraw/zinc/91/58/85/512915885.db2.gz JPPAIKUMDPTAEO-NSHDSACASA-N -2 3 358.847 2.769 20 30 FFEDHL Cc1nc(C=Cc2cccc(OCCCC#N)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504719557 515363639 /nfs/dbraw/zinc/36/36/39/515363639.db2.gz BCQLMQSQSJZQCU-BQYQJAHWSA-N -2 3 353.378 2.971 20 30 FFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC1CCCC1)C(=O)[O-] ZINC000547895241 516622632 /nfs/dbraw/zinc/62/26/32/516622632.db2.gz CXCJJWHHLNDVRE-ZDUSSCGKSA-N -2 3 356.831 2.523 20 30 FFEDHL CC1(C)CCC([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)(C(=O)[O-])CC1 ZINC000541003966 516826717 /nfs/dbraw/zinc/82/67/17/516826717.db2.gz GAOYBCMJZZSQMP-UHFFFAOYSA-N -2 3 370.858 2.914 20 30 FFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000572958525 518439551 /nfs/dbraw/zinc/43/95/51/518439551.db2.gz KVJFOGWNJMOTNN-FZMZJTMJSA-N -2 3 370.858 2.914 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832842732 601905694 /nfs/dbraw/zinc/90/56/94/601905694.db2.gz GXYIANFPYDULRM-WBVHZDCISA-N -2 3 373.453 2.748 20 30 FFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000829821233 603477946 /nfs/dbraw/zinc/47/79/46/603477946.db2.gz OYSXWWCEIYTOSX-UHFFFAOYSA-N -2 3 355.350 2.904 20 30 FFEDHL O=C([O-])Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826461345 608878039 /nfs/dbraw/zinc/87/80/39/608878039.db2.gz QULCULIBJMTRRE-XBXARRHUSA-N -2 3 352.325 2.529 20 30 FFEDHL O=C([O-])Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826461345 608878040 /nfs/dbraw/zinc/87/80/40/608878040.db2.gz QULCULIBJMTRRE-XBXARRHUSA-N -2 3 352.325 2.529 20 30 FFEDHL