smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)cc1C ZINC000015029242 846001504 /nfs/dbraw/zinc/00/15/04/846001504.db2.gz VWTWBKXVHBCMRG-UHFFFAOYSA-N -1 1 419.506 4.423 20 30 HIEDMM N#CC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCCC1 ZINC000032033162 847980574 /nfs/dbraw/zinc/98/05/74/847980574.db2.gz ILDBLGQLBHBHNQ-UHFFFAOYSA-N -1 1 403.891 4.163 20 30 HIEDMM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514522 848225110 /nfs/dbraw/zinc/22/51/10/848225110.db2.gz UXPHVDZJJBBYDN-CQSZACIVSA-N -1 1 409.854 4.284 20 30 HIEDMM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000045571448 848692637 /nfs/dbraw/zinc/69/26/37/848692637.db2.gz GYUQAYSSHGHPTR-UHFFFAOYSA-N -1 1 417.800 4.457 20 30 HIEDMM N#C[C@@H](C(=O)c1cc2c(s1)CCCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707228 848915146 /nfs/dbraw/zinc/91/51/46/848915146.db2.gz HNTXRPWVTLVUMF-ZDUSSCGKSA-N -1 1 409.536 4.294 20 30 HIEDMM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000047991978 849148904 /nfs/dbraw/zinc/14/89/04/849148904.db2.gz KXTPNRSLMOLQQJ-UHFFFAOYSA-N -1 1 401.394 4.133 20 30 HIEDMM C=CCOc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000048817829 849271099 /nfs/dbraw/zinc/27/10/99/849271099.db2.gz DNWLZFISKBODEJ-MRXNPFEDSA-N -1 1 405.479 4.331 20 30 HIEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000055664178 850102687 /nfs/dbraw/zinc/10/26/87/850102687.db2.gz UUQKTXDFXQIQTJ-UHFFFAOYSA-N -1 1 418.824 4.075 20 30 HIEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)CCC#N)cc1 ZINC000060617455 851168467 /nfs/dbraw/zinc/16/84/67/851168467.db2.gz JEKLELRYWMLMMQ-UHFFFAOYSA-N -1 1 413.543 4.079 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C#N)ccc3C)c2)c1 ZINC000064070193 851824236 /nfs/dbraw/zinc/82/42/36/851824236.db2.gz TZKVPIIIKMXDFY-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C#N)ccc3C)c2)cc1 ZINC000064070177 851824247 /nfs/dbraw/zinc/82/42/47/851824247.db2.gz UCYYRQJMOWVMIB-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3cccc(C#N)c3)cc2)cc1C ZINC000064320788 851870113 /nfs/dbraw/zinc/87/01/13/851870113.db2.gz UVCZQRIZEQNALP-UHFFFAOYSA-N -1 1 419.506 4.253 20 30 HIEDMM C=C(C)CN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000071827857 852413739 /nfs/dbraw/zinc/41/37/39/852413739.db2.gz VDPBFZLYAYHHGS-UHFFFAOYSA-N -1 1 406.935 4.487 20 30 HIEDMM C=CCN(Cc1ccccc1F)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000108664931 852870304 /nfs/dbraw/zinc/87/03/04/852870304.db2.gz ZNWAVDDKIXDRTI-UHFFFAOYSA-N -1 1 424.497 4.455 20 30 HIEDMM Cc1cccc2cc(C(=O)[C@@H](C#N)c3nc(=O)c4c5c(sc4[n-]3)CCCC5)oc21 ZINC000146857961 853577726 /nfs/dbraw/zinc/57/77/26/853577726.db2.gz VCBAXJRUOHQMCQ-CQSZACIVSA-N -1 1 403.463 4.408 20 30 HIEDMM N#Cc1c(Cl)nsc1NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000301146715 854311298 /nfs/dbraw/zinc/31/12/98/854311298.db2.gz BCKQZJQXFAPQII-UHFFFAOYSA-N -1 1 404.904 4.081 20 30 HIEDMM N#Cc1cccnc1-n1cc([N-]c2nn3cc(-c4ccc(Cl)cc4)nc3s2)cn1 ZINC000302508979 854577907 /nfs/dbraw/zinc/57/79/07/854577907.db2.gz NPOYGOXZFORBBN-UHFFFAOYSA-N -1 1 418.873 4.307 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1C(F)(F)F ZINC000325810109 855405499 /nfs/dbraw/zinc/40/54/99/855405499.db2.gz HEHVDGMGURXLLP-UHFFFAOYSA-N -1 1 423.185 4.279 20 30 HIEDMM Cc1ccc(NC(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427104553 856639602 /nfs/dbraw/zinc/63/96/02/856639602.db2.gz OMCTYIJKHJQMLU-UHFFFAOYSA-N -1 1 424.457 4.451 20 30 HIEDMM N#CCc1ccc(OCc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)cc1 ZINC000427123749 856651439 /nfs/dbraw/zinc/65/14/39/856651439.db2.gz ZIWKNRMHYZBKBD-UHFFFAOYSA-N -1 1 421.453 4.143 20 30 HIEDMM Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000427492818 856840354 /nfs/dbraw/zinc/84/03/54/856840354.db2.gz NFNMKRIIHOATNZ-SFHVURJKSA-N -1 1 419.934 4.117 20 30 HIEDMM C=C[C@@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000428032053 857049310 /nfs/dbraw/zinc/04/93/10/857049310.db2.gz IRGKPPLQCPLBEF-LJQANCHMSA-N -1 1 414.527 4.067 20 30 HIEDMM C=C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000428045591 857053875 /nfs/dbraw/zinc/05/38/75/857053875.db2.gz QXZVQJGZCBCZSE-LJQANCHMSA-N -1 1 414.527 4.067 20 30 HIEDMM C=CCC(C)(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000431272869 858542035 /nfs/dbraw/zinc/54/20/35/858542035.db2.gz BIGDNSWOYRGGCW-UHFFFAOYSA-N -1 1 417.487 4.245 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C3CCCCC3)c2)ccc1C#N ZINC000435734928 861017779 /nfs/dbraw/zinc/01/77/79/861017779.db2.gz YZUVOJZAZNSHNK-HHHXNRCGSA-N -1 1 416.568 4.249 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000438798585 864289875 /nfs/dbraw/zinc/28/98/75/864289875.db2.gz YFCAAXNVSGFTAV-UHFFFAOYSA-N -1 1 405.195 4.140 20 30 HIEDMM Cc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000438893646 864374718 /nfs/dbraw/zinc/37/47/18/864374718.db2.gz HIAIWXWUJORXBI-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)c2)n1 ZINC000467930806 881804326 /nfs/dbraw/zinc/80/43/26/881804326.db2.gz HXTUAXBNODTNKH-UHFFFAOYSA-N -1 1 407.373 4.341 20 30 HIEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000440297582 865555905 /nfs/dbraw/zinc/55/59/05/865555905.db2.gz RRRMTRZIUZISFD-AWEZNQCLSA-N -1 1 402.541 4.453 20 30 HIEDMM N#CC1CCC(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000440651726 865856760 /nfs/dbraw/zinc/85/67/60/865856760.db2.gz WEIUTGFHPHTHRN-UHFFFAOYSA-N -1 1 414.487 4.137 20 30 HIEDMM C=CCC[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000441613085 866709672 /nfs/dbraw/zinc/70/96/72/866709672.db2.gz SSJRNMZHLBMKGG-MRXNPFEDSA-N -1 1 401.388 4.379 20 30 HIEDMM COc1ccc([C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)c2c[nH]c3ccccc32)cc1 ZINC000442898428 867728561 /nfs/dbraw/zinc/72/85/61/867728561.db2.gz OJEWBTTZSOMNER-OAQYLSRUSA-N -1 1 411.461 4.316 20 30 HIEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1[O-] ZINC000442956613 867763973 /nfs/dbraw/zinc/76/39/73/867763973.db2.gz PHXHYVINXFDRIA-QGZVFWFLSA-N -1 1 418.280 4.204 20 30 HIEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000443309309 867898031 /nfs/dbraw/zinc/89/80/31/867898031.db2.gz LXQBDIQZPXBABU-CQSZACIVSA-N -1 1 403.413 4.146 20 30 HIEDMM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nc(C(F)(F)F)cs1 ZINC000443318444 867902564 /nfs/dbraw/zinc/90/25/64/867902564.db2.gz JWYYOBNRADFVOB-JTQLQIEISA-N -1 1 409.842 4.117 20 30 HIEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c1 ZINC000443380959 867942959 /nfs/dbraw/zinc/94/29/59/867942959.db2.gz GMIIZGNPQZBEKJ-UHFFFAOYSA-N -1 1 421.316 4.048 20 30 HIEDMM CC(C)OCc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000443390470 867949320 /nfs/dbraw/zinc/94/93/20/867949320.db2.gz UARHVVIRVWYMCJ-UHFFFAOYSA-N -1 1 409.305 4.047 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)ccc1C(F)(F)F ZINC000443401308 867963555 /nfs/dbraw/zinc/96/35/55/867963555.db2.gz UGBQXDSUSYLUSK-UHFFFAOYSA-N -1 1 410.295 4.118 20 30 HIEDMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c2)n1 ZINC000443409002 867990207 /nfs/dbraw/zinc/99/02/07/867990207.db2.gz VNDFSUUAWMGWME-UHFFFAOYSA-N -1 1 418.400 4.143 20 30 HIEDMM C=C(C)C[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000468333402 882266902 /nfs/dbraw/zinc/26/69/02/882266902.db2.gz YBEALOYCDROJOT-CYBMUJFWSA-N -1 1 408.907 4.387 20 30 HIEDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468349545 882286586 /nfs/dbraw/zinc/28/65/86/882286586.db2.gz OEYSAYBLNIDEPQ-UHFFFAOYSA-N -1 1 417.918 4.032 20 30 HIEDMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(-c4ccc(C#N)cc4F)nc3c2)cc1 ZINC000448109860 871958518 /nfs/dbraw/zinc/95/85/18/871958518.db2.gz WTAZRWPKVIBEIG-UHFFFAOYSA-N -1 1 422.441 4.050 20 30 HIEDMM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000448255293 872179064 /nfs/dbraw/zinc/17/90/64/872179064.db2.gz JIWKFLJZOYEPDT-UHFFFAOYSA-N -1 1 401.451 4.373 20 30 HIEDMM N#CC(=C([O-])c1cnn(-c2ccncc2)c1C(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464423387 877633369 /nfs/dbraw/zinc/63/33/69/877633369.db2.gz ZCWIUBAOZVLEHU-LBPRGKRZSA-N -1 1 407.302 4.109 20 30 HIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cc(Br)c3c(c2)OCCO3)n1 ZINC000474449062 889316306 /nfs/dbraw/zinc/31/63/06/889316306.db2.gz TXQRQJQSDXLSOK-LLVKDONJSA-N -1 1 407.289 4.290 20 30 HIEDMM Cc1c([N-]S(=O)(=O)c2ccccc2CC#N)cccc1C(=O)Nc1ccccc1 ZINC000475785059 890726763 /nfs/dbraw/zinc/72/67/63/890726763.db2.gz GXELYAVXMMGBLL-UHFFFAOYSA-N -1 1 405.479 4.114 20 30 HIEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)CC#N)c2)cc1 ZINC000505153925 913845966 /nfs/dbraw/zinc/84/59/66/913845966.db2.gz ANAUIHTZTHHDIC-QGZVFWFLSA-N -1 1 413.543 4.204 20 30 HIEDMM C=C(C)CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000482143157 897603759 /nfs/dbraw/zinc/60/37/59/897603759.db2.gz QQIZEPGCZLSSSU-UHFFFAOYSA-N -1 1 413.326 4.442 20 30 HIEDMM COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)n1 ZINC000483054398 898727684 /nfs/dbraw/zinc/72/76/84/898727684.db2.gz XLXQPFYBMAEBDE-UHFFFAOYSA-N -1 1 419.506 4.416 20 30 HIEDMM CN(CC(C)(C)C)C(=O)c1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000483231614 898874581 /nfs/dbraw/zinc/87/45/81/898874581.db2.gz NXUSGMLRIBYVET-GOSISDBHSA-N -1 1 400.482 4.238 20 30 HIEDMM Cn1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c2cc(F)ccc21 ZINC000483438439 899071283 /nfs/dbraw/zinc/07/12/83/899071283.db2.gz KFZIRFRQJBQDDM-AWEZNQCLSA-N -1 1 420.469 4.397 20 30 HIEDMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)cc1C ZINC000484513029 900003993 /nfs/dbraw/zinc/00/39/93/900003993.db2.gz IARPKWXQYPQAQK-UHFFFAOYSA-N -1 1 422.506 4.393 20 30 HIEDMM C[C@H](C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000485664295 900915984 /nfs/dbraw/zinc/91/59/84/900915984.db2.gz UAMHJZLWSVXFMM-HNNXBMFYSA-N -1 1 423.469 4.240 20 30 HIEDMM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1nc(C(F)(F)F)cs1 ZINC000486866104 901911218 /nfs/dbraw/zinc/91/12/18/901911218.db2.gz LZDUZQWMEMGZBI-LURJTMIESA-N -1 1 422.347 4.359 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)NC(=O)CS4)n2)cc1 ZINC000512493805 921199704 /nfs/dbraw/zinc/19/97/04/921199704.db2.gz LCEYPZGFTIRNPQ-HNNXBMFYSA-N -1 1 421.503 4.353 20 30 HIEDMM Cn1c(C(C#N)=C([O-])c2ccn(-c3ccc(Br)cc3)n2)nc2ccccc21 ZINC000495221527 906316325 /nfs/dbraw/zinc/31/63/25/906316325.db2.gz PGTQGCXVDJWBAW-HNNXBMFYSA-N -1 1 420.270 4.012 20 30 HIEDMM N#CC(=C([O-])c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc2ccccc2n1C(F)F ZINC000496592152 906716161 /nfs/dbraw/zinc/71/61/61/906716161.db2.gz KZCBAAUOLCNDKF-NSHDSACASA-N -1 1 422.294 4.431 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1Cl ZINC000508110920 916928323 /nfs/dbraw/zinc/92/83/23/916928323.db2.gz RWLKIISTBFSDJB-MRXNPFEDSA-N -1 1 413.808 4.275 20 30 HIEDMM C=C(C)CCc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)n1 ZINC000508644575 917410828 /nfs/dbraw/zinc/41/08/28/917410828.db2.gz XQFQVLNUDUHCAZ-UHFFFAOYSA-N -1 1 401.463 4.494 20 30 HIEDMM CSc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)c1 ZINC000509104896 917845478 /nfs/dbraw/zinc/84/54/78/917845478.db2.gz YIZFWXPXECSRSE-UHFFFAOYSA-N -1 1 402.419 4.022 20 30 HIEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000509387035 918052770 /nfs/dbraw/zinc/05/27/70/918052770.db2.gz TVTWGKJOIHQAIA-UHFFFAOYSA-N -1 1 410.295 4.118 20 30 HIEDMM N#C[C@@H](C(=O)c1coc(Br)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000513661558 921984501 /nfs/dbraw/zinc/98/45/01/921984501.db2.gz SZEBPNGTODBPJH-JTQLQIEISA-N -1 1 418.272 4.121 20 30 HIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000513692185 922014041 /nfs/dbraw/zinc/01/40/41/922014041.db2.gz KHAKGIMMUGOLEN-HNNXBMFYSA-N -1 1 417.419 4.016 20 30 HIEDMM CSc1nc(C)c(CCC(=O)Nc2sc(-c3ccccc3)cc2C#N)c(=O)[n-]1 ZINC000515690231 923274079 /nfs/dbraw/zinc/27/40/79/923274079.db2.gz IEOILXHQXZLTCC-UHFFFAOYSA-N -1 1 410.524 4.384 20 30 HIEDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2COc2ccc(CC#N)cc2)c1 ZINC000515699136 923282568 /nfs/dbraw/zinc/28/25/68/923282568.db2.gz MFNXJOSHBNPBBU-UHFFFAOYSA-N -1 1 420.490 4.335 20 30 HIEDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 ZINC000517449075 924198624 /nfs/dbraw/zinc/19/86/24/924198624.db2.gz NHGYDCLKLYVUEM-CYBMUJFWSA-N -1 1 402.545 4.260 20 30 HIEDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cc1C ZINC000519398444 927921905 /nfs/dbraw/zinc/92/19/05/927921905.db2.gz AKDMPHIIYRUWLL-HNNXBMFYSA-N -1 1 420.556 4.073 20 30 HIEDMM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2)ccn1 ZINC000520298158 928460478 /nfs/dbraw/zinc/46/04/78/928460478.db2.gz OZEPTPRTRFWVHN-UHFFFAOYSA-N -1 1 403.822 4.339 20 30 HIEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 ZINC000520924282 928876707 /nfs/dbraw/zinc/87/67/07/928876707.db2.gz SIERJYLJADQAEF-CYBMUJFWSA-N -1 1 421.544 4.003 20 30 HIEDMM CC(C)[C@@H](O)C(=O)[N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000521012980 928930830 /nfs/dbraw/zinc/93/08/30/928930830.db2.gz HEIRJDLUSWSBMP-GHMZBOCLSA-N -1 1 411.264 4.461 20 30 HIEDMM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000532287325 931384743 /nfs/dbraw/zinc/38/47/43/931384743.db2.gz HFCWNPIPISNMIV-CYBMUJFWSA-N -1 1 415.540 4.111 20 30 HIEDMM Cc1cc(C(C#N)=C([O-])c2cc(OCC(F)(F)F)c3ccccc3n2)nc(C)n1 ZINC000538981839 938758497 /nfs/dbraw/zinc/75/84/97/938758497.db2.gz ZXITXMLMBMCYMR-CQSZACIVSA-N -1 1 400.360 4.073 20 30 HIEDMM C=CCCC[C@@H](C)NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000540563603 939306402 /nfs/dbraw/zinc/30/64/02/939306402.db2.gz LWTMOZUAQOMERC-MRXNPFEDSA-N -1 1 419.522 4.171 20 30 HIEDMM Cc1nn(C(C)(C)C)cc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000542286147 939785308 /nfs/dbraw/zinc/78/53/08/939785308.db2.gz IDVFRZPZWKRSCX-ZDUSSCGKSA-N -1 1 409.515 4.026 20 30 HIEDMM N#CC(=C([O-])c1ccccc1OCc1ccccc1Br)c1ccncn1 ZINC000545446605 940570251 /nfs/dbraw/zinc/57/02/51/940570251.db2.gz OXUPEUQWXYXRAP-MRXNPFEDSA-N -1 1 408.255 4.308 20 30 HIEDMM N#CC(=C([O-])c1ccccc1OCc1ccc(Br)cc1)c1ccncn1 ZINC000545446283 940570283 /nfs/dbraw/zinc/57/02/83/940570283.db2.gz GGUYPOUENCFAOA-KRWDZBQOSA-N -1 1 408.255 4.308 20 30 HIEDMM N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1Cl ZINC000547975904 941081798 /nfs/dbraw/zinc/08/17/98/941081798.db2.gz VTSJUGFWFWRSAH-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000551018622 941396037 /nfs/dbraw/zinc/39/60/37/941396037.db2.gz LQXFYLXVXFPIIV-ZDUSSCGKSA-N -1 1 414.152 4.363 20 30 HIEDMM C[C@@H]1CN(Cc2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)C[C@@H](C)O1 ZINC000553987487 942013576 /nfs/dbraw/zinc/01/35/76/942013576.db2.gz PRPIQPAHSVYNTG-MDZRGWNJSA-N -1 1 405.523 4.396 20 30 HIEDMM C[C@@H]1CN(Cc2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)C[C@H](C)O1 ZINC000553987481 942013820 /nfs/dbraw/zinc/01/38/20/942013820.db2.gz PRPIQPAHSVYNTG-FCEWJHQRSA-N -1 1 405.523 4.396 20 30 HIEDMM CC(C)(CCC#N)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000554078123 942031277 /nfs/dbraw/zinc/03/12/77/942031277.db2.gz ABWXATQPQKFTTA-UHFFFAOYSA-N -1 1 419.934 4.201 20 30 HIEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)c(Cl)c1 ZINC000564559490 945678077 /nfs/dbraw/zinc/67/80/77/945678077.db2.gz ZJUXXXGQIWNSJG-UHFFFAOYSA-N -1 1 415.858 4.208 20 30 HIEDMM N#CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)ccc21 ZINC000568554091 946592921 /nfs/dbraw/zinc/59/29/21/946592921.db2.gz LTPDZOCRWZAJCD-UHFFFAOYSA-N -1 1 419.453 4.008 20 30 HIEDMM C=C(C)COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2Br)ccc1OC ZINC000573753399 948288819 /nfs/dbraw/zinc/28/88/19/948288819.db2.gz KNFVRJPMQZOOCP-LJQANCHMSA-N -1 1 420.303 4.328 20 30 HIEDMM C=C(C)COc1cc(CN[C@H](C(=O)[O-])c2ccccc2Br)ccc1OC ZINC000573753398 948289410 /nfs/dbraw/zinc/28/94/10/948289410.db2.gz KNFVRJPMQZOOCP-IBGZPJMESA-N -1 1 420.303 4.328 20 30 HIEDMM COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc([O-])cc3)cc2OC)o1 ZINC000007718058 845396437 /nfs/dbraw/zinc/39/64/37/845396437.db2.gz SOVSBLILRATSML-XCVCLJGOSA-N -1 1 408.406 4.256 20 30 HIEDMM COc1cc(-c2noc([C@H](C)c3cccc(C#N)c3)n2)cc(Br)c1[O-] ZINC000436655244 861882662 /nfs/dbraw/zinc/88/26/62/861882662.db2.gz FMANOGIETXVENT-SNVBAGLBSA-N -1 1 400.232 4.237 20 30 HIEDMM N#CCc1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])cc1 ZINC000436686235 861894134 /nfs/dbraw/zinc/89/41/34/861894134.db2.gz NHWDCELKGQFMBU-UHFFFAOYSA-N -1 1 407.376 4.241 20 30 HIEDMM Cc1cc(NC(=O)c2cccc(F)c2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000049406612 849309564 /nfs/dbraw/zinc/30/95/64/849309564.db2.gz VECVWCQVRXRCAA-MRXNPFEDSA-N -1 1 408.458 4.345 20 30 HIEDMM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000055588342 850065513 /nfs/dbraw/zinc/06/55/13/850065513.db2.gz GBPQJSGHAVQFQU-UHFFFAOYSA-N -1 1 401.394 4.133 20 30 HIEDMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000055648348 850093455 /nfs/dbraw/zinc/09/34/55/850093455.db2.gz MXKRIWKMLBSZLW-AWEZNQCLSA-N -1 1 417.918 4.027 20 30 HIEDMM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063912362 851792499 /nfs/dbraw/zinc/79/24/99/851792499.db2.gz NMRRUCWIXKRVFG-UHFFFAOYSA-N -1 1 403.275 4.386 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)c1cccc(C#N)c1 ZINC000064320804 851871264 /nfs/dbraw/zinc/87/12/64/851871264.db2.gz YYFKFHRNLFDOCU-UHFFFAOYSA-N -1 1 423.469 4.083 20 30 HIEDMM CCOc1ccc(N(CCC#N)C(=O)Cn2c(-c3cccc(C)c3)n[n-]c2=S)cc1 ZINC000111019046 853188262 /nfs/dbraw/zinc/18/82/62/853188262.db2.gz ZXHAMGIMTQHZKI-UHFFFAOYSA-N -1 1 421.526 4.262 20 30 HIEDMM C=C1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)CC1 ZINC000111073100 853197950 /nfs/dbraw/zinc/19/79/50/853197950.db2.gz ZGIUQRRFLOONLN-UHFFFAOYSA-N -1 1 408.882 4.072 20 30 HIEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3Cl)s2)c1 ZINC000140283380 853440600 /nfs/dbraw/zinc/44/06/00/853440600.db2.gz BGXBBUVSEMAVTE-HNNXBMFYSA-N -1 1 411.870 4.433 20 30 HIEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3Cl)s2)c1 ZINC000140283540 853440908 /nfs/dbraw/zinc/44/09/08/853440908.db2.gz BGXBBUVSEMAVTE-OAHLLOKOSA-N -1 1 411.870 4.433 20 30 HIEDMM C=CC[C@H](C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000427117007 856646959 /nfs/dbraw/zinc/64/69/59/856646959.db2.gz XWXBNYAHQRBWFX-QFIPXVFZSA-N -1 1 420.534 4.464 20 30 HIEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cccc1C(=O)Nc1ccccc1 ZINC000427212892 856715956 /nfs/dbraw/zinc/71/59/56/856715956.db2.gz NVSFWIVSJXQITM-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(Br)c3)cc2s1 ZINC000427789537 856955520 /nfs/dbraw/zinc/95/55/20/856955520.db2.gz OTPXDOSRFDAVMZ-UHFFFAOYSA-N -1 1 408.302 4.040 20 30 HIEDMM C=C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000428039136 857051401 /nfs/dbraw/zinc/05/14/01/857051401.db2.gz QIMLOQXOMVKXTH-GOSISDBHSA-N -1 1 404.919 4.322 20 30 HIEDMM C=C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000428045289 857053775 /nfs/dbraw/zinc/05/37/75/857053775.db2.gz PYZXUFVFNKOSPA-GOSISDBHSA-N -1 1 402.491 4.116 20 30 HIEDMM C=C[C@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000429474565 857687635 /nfs/dbraw/zinc/68/76/35/857687635.db2.gz YYUIRNHONPGCJT-IBGZPJMESA-N -1 1 402.491 4.116 20 30 HIEDMM Cc1nn(C)c2nc(-c3ccccc3)cc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)c12 ZINC000429569090 857754810 /nfs/dbraw/zinc/75/48/10/857754810.db2.gz QDFMEELKNJLJIN-KRWDZBQOSA-N -1 1 421.464 4.014 20 30 HIEDMM N#CCSc1cccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000430744447 858285812 /nfs/dbraw/zinc/28/58/12/858285812.db2.gz UZNMHEOXFDIGTO-UHFFFAOYSA-N -1 1 423.519 4.355 20 30 HIEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000431182855 858491935 /nfs/dbraw/zinc/49/19/35/858491935.db2.gz NRUOWPYZLVUWGU-UHFFFAOYSA-N -1 1 402.422 4.465 20 30 HIEDMM C=CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000432018492 858931250 /nfs/dbraw/zinc/93/12/50/858931250.db2.gz GMTOLCRXUVHCOX-UHFFFAOYSA-N -1 1 418.515 4.045 20 30 HIEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1C#N ZINC000435143314 860663280 /nfs/dbraw/zinc/66/32/80/860663280.db2.gz OQVIUYRJNONTSO-UHFFFAOYSA-N -1 1 416.833 4.401 20 30 HIEDMM COc1ccc(COCc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)cc1 ZINC000435721105 861004782 /nfs/dbraw/zinc/00/47/82/861004782.db2.gz GWNOCEWOHYMVQH-UHFFFAOYSA-N -1 1 422.506 4.393 20 30 HIEDMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(C#N)c2)cc1 ZINC000442223464 867251954 /nfs/dbraw/zinc/25/19/54/867251954.db2.gz MOMQNLBJUHDYRM-UHFFFAOYSA-N -1 1 412.389 4.096 20 30 HIEDMM N#Cc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1[O-] ZINC000442951154 867762456 /nfs/dbraw/zinc/76/24/56/867762456.db2.gz GIXGCGYXJRDYRU-UHFFFAOYSA-N -1 1 408.461 4.106 20 30 HIEDMM N#Cc1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)cc1[O-] ZINC000443126009 867832688 /nfs/dbraw/zinc/83/26/88/867832688.db2.gz GFARSZXVSXDLMF-AWEZNQCLSA-N -1 1 413.193 4.450 20 30 HIEDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nc(C(F)(F)F)cs1 ZINC000443319266 867902796 /nfs/dbraw/zinc/90/27/96/867902796.db2.gz LJIAUKCLLFDKRL-SNVBAGLBSA-N -1 1 409.842 4.117 20 30 HIEDMM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)oc1-c1ccc(Cl)cc1 ZINC000443360190 867926111 /nfs/dbraw/zinc/92/61/11/867926111.db2.gz RDHQPVNWYHYONV-UHFFFAOYSA-N -1 1 422.293 4.307 20 30 HIEDMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1Cl ZINC000443407377 867986651 /nfs/dbraw/zinc/98/66/51/867986651.db2.gz PDGSCKQATUIKII-UHFFFAOYSA-N -1 1 402.781 4.234 20 30 HIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000443413906 867997802 /nfs/dbraw/zinc/99/78/02/867997802.db2.gz HIRHJAYNQUUEBZ-INIZCTEOSA-N -1 1 405.491 4.160 20 30 HIEDMM COc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)ccc1OC(C)C ZINC000443413514 867997948 /nfs/dbraw/zinc/99/79/48/867997948.db2.gz MEVIRLODFCGUJP-UHFFFAOYSA-N -1 1 414.405 4.174 20 30 HIEDMM N#CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccc4ccccc43)ccc21 ZINC000468360091 882300556 /nfs/dbraw/zinc/30/05/56/882300556.db2.gz ZVTDITHNCJASOG-UHFFFAOYSA-N -1 1 419.506 4.224 20 30 HIEDMM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(OCCCC#N)c1 ZINC000446624322 870527071 /nfs/dbraw/zinc/52/70/71/870527071.db2.gz NVZPSLMNWSMATL-UHFFFAOYSA-N -1 1 422.528 4.227 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc4n3CCCC4)c2)cc1Cl ZINC000446956453 870861161 /nfs/dbraw/zinc/86/11/61/870861161.db2.gz GQLJGGPFJXDSBV-UHFFFAOYSA-N -1 1 412.902 4.212 20 30 HIEDMM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1ccccc1C(F)(F)F ZINC000447274764 871164576 /nfs/dbraw/zinc/16/45/76/871164576.db2.gz PFNBKJRZANOMJN-UHFFFAOYSA-N -1 1 403.275 4.386 20 30 HIEDMM C=CCOCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000463239614 876295127 /nfs/dbraw/zinc/29/51/27/876295127.db2.gz YDKHJFLKWFAHKS-UHFFFAOYSA-N -1 1 408.907 4.062 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)c(F)c1 ZINC000504235182 913106265 /nfs/dbraw/zinc/10/62/65/913106265.db2.gz INAXZHAQCNKBEP-UHFFFAOYSA-N -1 1 407.623 4.053 20 30 HIEDMM Cc1cc(C)c(C#N)c(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000474778535 889635279 /nfs/dbraw/zinc/63/52/79/889635279.db2.gz AOJASZWVMHZYPU-UHFFFAOYSA-N -1 1 410.474 4.122 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c(-c3cccc(F)c3)nc2c1 ZINC000475785028 890726396 /nfs/dbraw/zinc/72/63/96/890726396.db2.gz GFUARODKZTYOGV-UHFFFAOYSA-N -1 1 406.442 4.236 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(Cl)c1 ZINC000475791424 890730773 /nfs/dbraw/zinc/73/07/73/890730773.db2.gz PPPYXUUQTXOYRS-UHFFFAOYSA-N -1 1 413.886 4.181 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(COCCc2ccccc2)c1 ZINC000475805655 890741478 /nfs/dbraw/zinc/74/14/78/890741478.db2.gz GBZQMHULWAPHBI-UHFFFAOYSA-N -1 1 406.507 4.313 20 30 HIEDMM COc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)ccc1Br ZINC000476278963 891198694 /nfs/dbraw/zinc/19/86/94/891198694.db2.gz SNQYRXWXIXBRNL-UHFFFAOYSA-N -1 1 409.305 4.060 20 30 HIEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c2ccccc12 ZINC000477320879 892285739 /nfs/dbraw/zinc/28/57/39/892285739.db2.gz SJZJDYWRZWGKFJ-UHFFFAOYSA-N -1 1 423.494 4.258 20 30 HIEDMM CC(C)(C)CN(CCC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000477775200 892859780 /nfs/dbraw/zinc/85/97/80/892859780.db2.gz ZQEKUCYSEKSQMT-UHFFFAOYSA-N -1 1 417.506 4.028 20 30 HIEDMM CC(C)(C)CN(CCC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000477775308 892860216 /nfs/dbraw/zinc/86/02/16/892860216.db2.gz FFZNWRMJBQVHNZ-UHFFFAOYSA-N -1 1 417.506 4.028 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(N4CCCC4)nc3)n2)cc1 ZINC000478541211 893840041 /nfs/dbraw/zinc/84/00/41/893840041.db2.gz VFGFECNVUOXVCN-GOSISDBHSA-N -1 1 404.495 4.304 20 30 HIEDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)cc1OCC ZINC000479320697 894610621 /nfs/dbraw/zinc/61/06/21/894610621.db2.gz VONGRKRCKLWHOO-UHFFFAOYSA-N -1 1 422.506 4.080 20 30 HIEDMM C=CCCCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OC ZINC000480555323 895914816 /nfs/dbraw/zinc/91/48/16/895914816.db2.gz OMOPSIVKRUWOQT-UHFFFAOYSA-N -1 1 408.907 4.444 20 30 HIEDMM CC[C@H](C)n1nc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1C ZINC000480963801 896303666 /nfs/dbraw/zinc/30/36/66/896303666.db2.gz OHKPAKFFIDQXSG-FZMZJTMJSA-N -1 1 409.515 4.242 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1-c1ncco1 ZINC000481617861 897001097 /nfs/dbraw/zinc/00/10/97/897001097.db2.gz ADGIMKYADYJFGL-UHFFFAOYSA-N -1 1 407.373 4.341 20 30 HIEDMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)cc1 ZINC000484519287 900007881 /nfs/dbraw/zinc/00/78/81/900007881.db2.gz YLGICWXCYJSNRG-UHFFFAOYSA-N -1 1 408.479 4.084 20 30 HIEDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)c1 ZINC000486484502 901641181 /nfs/dbraw/zinc/64/11/81/901641181.db2.gz DDZORZYDPUHLHZ-UHFFFAOYSA-N -1 1 410.451 4.169 20 30 HIEDMM Cc1nn(-c2ccc(Br)cc2)cc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000490719331 904190598 /nfs/dbraw/zinc/19/05/98/904190598.db2.gz MGMYRWMRYOHODZ-HNNXBMFYSA-N -1 1 420.270 4.310 20 30 HIEDMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)c3cccc(c23)C1=O ZINC000512767327 921304144 /nfs/dbraw/zinc/30/41/44/921304144.db2.gz QCPCBNJTJDMQMQ-UHFFFAOYSA-N -1 1 405.479 4.032 20 30 HIEDMM COc1ccc(COCc2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)c2)cc1 ZINC000513408591 921776217 /nfs/dbraw/zinc/77/62/17/921776217.db2.gz OEDXOMAQRVABSA-UHFFFAOYSA-N -1 1 422.506 4.393 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Oc2ncccc2C#N)cc1C ZINC000513412553 921779442 /nfs/dbraw/zinc/77/94/42/921779442.db2.gz AVXRRQVHUXDRES-UHFFFAOYSA-N -1 1 404.451 4.035 20 30 HIEDMM CC[C@@](C)(C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000507139162 915886280 /nfs/dbraw/zinc/88/62/80/915886280.db2.gz AJYPEPYTHNOSNQ-SFHVURJKSA-N -1 1 409.870 4.158 20 30 HIEDMM C=C(C)CCc1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)n1 ZINC000508659173 917423577 /nfs/dbraw/zinc/42/35/77/917423577.db2.gz DBNFIDWSVAGDIU-UHFFFAOYSA-N -1 1 405.426 4.324 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C[S@](C)=O)c3)n2)cc1 ZINC000516270029 923638363 /nfs/dbraw/zinc/63/83/63/923638363.db2.gz KTZDUNGWVZCBJP-WRHNGFHOSA-N -1 1 410.520 4.187 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(NC(=O)c3ccccc3)cc2)n1 ZINC000516795711 923890206 /nfs/dbraw/zinc/89/02/06/923890206.db2.gz VUVQNPWHEXWQFB-KRWDZBQOSA-N -1 1 419.462 4.062 20 30 HIEDMM C=CCC(C)(C)c1noc(Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000518348947 927212127 /nfs/dbraw/zinc/21/21/27/927212127.db2.gz ICQDVCJBJLVETM-UHFFFAOYSA-N -1 1 415.490 4.454 20 30 HIEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000520109773 928316778 /nfs/dbraw/zinc/31/67/78/928316778.db2.gz HMJIAOJLIPBLCX-UHFFFAOYSA-N -1 1 421.478 4.364 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(NC(=O)N(C)C)c3)n2)cc1 ZINC000525328035 930166039 /nfs/dbraw/zinc/16/60/39/930166039.db2.gz UMBMYFPCMRIZEZ-SFHVURJKSA-N -1 1 420.494 4.402 20 30 HIEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 ZINC000525775057 930440611 /nfs/dbraw/zinc/44/06/11/930440611.db2.gz SMGPNLFLECFIIS-UHFFFAOYSA-N -1 1 405.385 4.406 20 30 HIEDMM CC1CC(C#N)(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000531562008 931103412 /nfs/dbraw/zinc/10/34/12/931103412.db2.gz POZBYTDRXJOPRC-UHFFFAOYSA-N -1 1 403.891 4.019 20 30 HIEDMM N#C[C@@H](C(=O)c1cnc2ccc(F)cc2c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000533939384 932113015 /nfs/dbraw/zinc/11/30/15/932113015.db2.gz VFTAZLAQIXSCGN-HNNXBMFYSA-N -1 1 418.453 4.453 20 30 HIEDMM C=C(C)[C@H](CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)OCC ZINC000535905379 933481539 /nfs/dbraw/zinc/48/15/39/933481539.db2.gz IDZNVIYNLHELCG-IBGZPJMESA-N -1 1 424.469 4.075 20 30 HIEDMM COCc1ccc(S(=O)(=O)[N-]c2cccc(COc3ccc(CC#N)cc3)c2)cc1 ZINC000539239669 938823768 /nfs/dbraw/zinc/82/37/68/938823768.db2.gz WBQHDYPRJJGSOZ-UHFFFAOYSA-N -1 1 422.506 4.279 20 30 HIEDMM COc1cc2c(cc1C([O-])=C(C#N)c1nc(-c3c(F)cccc3F)cs1)OCO2 ZINC000545449075 940570459 /nfs/dbraw/zinc/57/04/59/940570459.db2.gz JGYMZRKUPQASSN-LLVKDONJSA-N -1 1 414.389 4.316 20 30 HIEDMM C=CCc1cc(CNC(=O)c2cc(Cl)c([O-])c(OCC)c2)cc(OC)c1OC ZINC000546583467 940857657 /nfs/dbraw/zinc/85/76/57/940857657.db2.gz PBDNZRPYMUAVDH-UHFFFAOYSA-N -1 1 405.878 4.120 20 30 HIEDMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000549721172 941205656 /nfs/dbraw/zinc/20/56/56/941205656.db2.gz SJAZOWJFJIFAMU-UHFFFAOYSA-N -1 1 412.284 4.081 20 30 HIEDMM Cc1cccc2nc(C(C#N)=C([O-])c3cc([N+](=O)[O-])cc(Br)c3C)[nH]c21 ZINC000556555557 942897948 /nfs/dbraw/zinc/89/79/48/942897948.db2.gz XWQJBYVTPNTMDX-ZDUSSCGKSA-N -1 1 413.231 4.341 20 30 HIEDMM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccnc1C(F)(F)F ZINC000557841543 943310355 /nfs/dbraw/zinc/31/03/55/943310355.db2.gz WLZKQFPMLJEJJF-NSHDSACASA-N -1 1 416.318 4.212 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(-c4nc[nH]n4)c3)n2)cc1 ZINC000560217984 944199220 /nfs/dbraw/zinc/19/92/20/944199220.db2.gz SAEOXVYSIHPSCW-KRWDZBQOSA-N -1 1 401.451 4.094 20 30 HIEDMM N#C[C@H](C(=O)c1ccc2ncccc2c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000566380981 946015802 /nfs/dbraw/zinc/01/58/02/946015802.db2.gz DSEYKXCCIRKQEE-OAHLLOKOSA-N -1 1 400.463 4.314 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000571358762 947619198 /nfs/dbraw/zinc/61/91/98/947619198.db2.gz ZREMWTPMYVBFJZ-UHFFFAOYSA-N -1 1 406.454 4.239 20 30 HIEDMM C[C@@](C#N)(NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CCCCC1 ZINC000573236461 948117536 /nfs/dbraw/zinc/11/75/36/948117536.db2.gz ZTRHGNPVLYSYSZ-QFIPXVFZSA-N -1 1 411.527 4.080 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000575354973 948651923 /nfs/dbraw/zinc/65/19/23/948651923.db2.gz MZRNIQHJIWQLFQ-MUUNZHRXSA-N -1 1 424.547 4.116 20 30 HIEDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)n1 ZINC000012262797 845864308 /nfs/dbraw/zinc/86/43/08/845864308.db2.gz XRAAMYGKTSHXNB-UHFFFAOYSA-N -1 1 413.547 4.271 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)n2)n[n-]c1=S ZINC000025682114 847019305 /nfs/dbraw/zinc/01/93/05/847019305.db2.gz OXAAIFHICOGLEK-DZGCQCFKSA-N -1 1 403.577 4.351 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)n2)n[n-]c1=S ZINC000025682110 847019564 /nfs/dbraw/zinc/01/95/64/847019564.db2.gz OXAAIFHICOGLEK-UKRRQHHQSA-N -1 1 403.577 4.351 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)c3ccc(-n4cccc4)cc3)n2)n[n-]c1=S ZINC000025681987 847019677 /nfs/dbraw/zinc/01/96/77/847019677.db2.gz YHOCSDCBOIKOQC-UHFFFAOYSA-N -1 1 422.539 4.217 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)cc1 ZINC000026135506 847093962 /nfs/dbraw/zinc/09/39/62/847093962.db2.gz VUOZZIVLHHZBDZ-QGZVFWFLSA-N -1 1 419.506 4.159 20 30 HIEDMM N#C[C@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1CCCCC1 ZINC000436570431 861856214 /nfs/dbraw/zinc/85/62/14/861856214.db2.gz QETVUCOZTRPRPD-IBGZPJMESA-N -1 1 413.424 4.125 20 30 HIEDMM N#CC(=C([O-])c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nc(-c2ccccc2)cs1 ZINC000041522339 848225588 /nfs/dbraw/zinc/22/55/88/848225588.db2.gz CSQQWAOBJFDVPS-AZUAARDMSA-N -1 1 417.490 4.418 20 30 HIEDMM CCOc1cc(-c2noc(CCc3ccc(C#N)cc3)n2)cc(Br)c1[O-] ZINC000436768393 861960975 /nfs/dbraw/zinc/96/09/75/861960975.db2.gz IMCWSJCNTUPIQH-UHFFFAOYSA-N -1 1 414.259 4.260 20 30 HIEDMM N#CC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CCCCC1 ZINC000057428053 850634658 /nfs/dbraw/zinc/63/46/58/850634658.db2.gz UDCAPDQMBDSMPI-UHFFFAOYSA-N -1 1 419.453 4.178 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OCc3ccccc3C#N)c2)c1 ZINC000105459484 852707585 /nfs/dbraw/zinc/70/75/85/852707585.db2.gz WNXKZALKAGBXIV-UHFFFAOYSA-N -1 1 406.463 4.025 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)nc2C)n[n-]c1=S ZINC000139745006 853420236 /nfs/dbraw/zinc/42/02/36/853420236.db2.gz AAUQZKBRVFMFEU-UHFFFAOYSA-N -1 1 416.488 4.028 20 30 HIEDMM Cc1nn(C)c2nc(C3CC3)cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c12 ZINC000195557375 853682873 /nfs/dbraw/zinc/68/28/73/853682873.db2.gz HUYDUUXQEKMPIB-AWEZNQCLSA-N -1 1 420.423 4.389 20 30 HIEDMM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000301414969 854388499 /nfs/dbraw/zinc/38/84/99/854388499.db2.gz BOOZESLJNUNSLU-HNNXBMFYSA-N -1 1 422.466 4.440 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000303913971 855286511 /nfs/dbraw/zinc/28/65/11/855286511.db2.gz UVRXDAMRBIFNOB-MHZLTWQESA-N -1 1 416.568 4.249 20 30 HIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000325721938 855405589 /nfs/dbraw/zinc/40/55/89/855405589.db2.gz NQODQPQPSXMRCI-UHFFFAOYSA-N -1 1 413.268 4.072 20 30 HIEDMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c2C1 ZINC000410331720 855933469 /nfs/dbraw/zinc/93/34/69/855933469.db2.gz DBHSPYRLKZWSRL-UHFFFAOYSA-N -1 1 409.433 4.102 20 30 HIEDMM CCc1nc(CNCc2cccc(OCc3cccc(C#N)c3)c2)ccc1C(=O)[O-] ZINC000426648446 856392176 /nfs/dbraw/zinc/39/21/76/856392176.db2.gz RBXLXIRSBLNKEA-UHFFFAOYSA-N -1 1 401.466 4.083 20 30 HIEDMM C=CCOc1c(Br)cc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000426779755 856474385 /nfs/dbraw/zinc/47/43/85/856474385.db2.gz LBAQSTFUYCKHLA-KRWDZBQOSA-N -1 1 424.266 4.077 20 30 HIEDMM Cc1cc(OCc2cccc(C#N)c2)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427213780 856716178 /nfs/dbraw/zinc/71/61/78/856716178.db2.gz XVDMYQFUCFWZQD-UHFFFAOYSA-N -1 1 421.453 4.257 20 30 HIEDMM Cc1ncc(S(=O)(=O)[N-]c2ccc(NCc3ccccc3)c(Cl)c2)cc1C#N ZINC000427217425 856717634 /nfs/dbraw/zinc/71/76/34/856717634.db2.gz QVOBXNYUVRPMLJ-UHFFFAOYSA-N -1 1 412.902 4.328 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)c(C(F)(F)F)c2)cc1F ZINC000427305986 856762301 /nfs/dbraw/zinc/76/23/01/856762301.db2.gz ZFLYLAREKPBMNH-UHFFFAOYSA-N -1 1 424.322 4.161 20 30 HIEDMM NC(=O)CCCC(=O)[N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000427455799 856828045 /nfs/dbraw/zinc/82/80/45/856828045.db2.gz DVLYALZXINWPQX-GFCCVEGCSA-N -1 1 424.263 4.099 20 30 HIEDMM CCOC(=O)c1cnc(C(C)=Cc2cccc(OCc3ccccc3C#N)c2)[n-]c1=O ZINC000432696751 859300907 /nfs/dbraw/zinc/30/09/07/859300907.db2.gz QBENPQDKMHMKLC-LFIBNONCSA-N -1 1 415.449 4.370 20 30 HIEDMM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432782735 859358538 /nfs/dbraw/zinc/35/85/38/859358538.db2.gz YNRAZDBNSAJRNT-UHFFFAOYSA-N -1 1 409.305 4.047 20 30 HIEDMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(Oc2ncccc2C#N)cc1C ZINC000434626289 860438314 /nfs/dbraw/zinc/43/83/14/860438314.db2.gz HKVUQYVPZHGCFQ-UHFFFAOYSA-N -1 1 423.494 4.480 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)ccc1Cl ZINC000435195845 860691068 /nfs/dbraw/zinc/69/10/68/860691068.db2.gz AOFQQPIDMJAIHZ-UHFFFAOYSA-N -1 1 400.891 4.089 20 30 HIEDMM CC(=Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339464 860749347 /nfs/dbraw/zinc/74/93/47/860749347.db2.gz UEMWNIJNOKTRJI-MNDMWVCDSA-N -1 1 417.309 4.383 20 30 HIEDMM N#CCC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000439668339 864999467 /nfs/dbraw/zinc/99/94/67/864999467.db2.gz CPAFDUNUSLOQLV-JOCHJYFZSA-N -1 1 419.506 4.262 20 30 HIEDMM N#CCC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000439669997 865000985 /nfs/dbraw/zinc/00/09/85/865000985.db2.gz GGFNTJDCSLJGQL-JOCHJYFZSA-N -1 1 419.506 4.262 20 30 HIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)c1 ZINC000440814438 865930717 /nfs/dbraw/zinc/93/07/17/865930717.db2.gz DBWJSIPCUFEJQN-UHFFFAOYSA-N -1 1 407.495 4.147 20 30 HIEDMM Cc1cc(-n2cncn2)ccc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000442799320 867679693 /nfs/dbraw/zinc/67/96/93/867679693.db2.gz KKJUWAUSHYLUNO-OAHLLOKOSA-N -1 1 421.432 4.468 20 30 HIEDMM N#Cc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1[O-] ZINC000442957614 867764124 /nfs/dbraw/zinc/76/41/24/867764124.db2.gz UERVWWYSKTYUSF-UHFFFAOYSA-N -1 1 408.461 4.106 20 30 HIEDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443415989 868001032 /nfs/dbraw/zinc/00/10/32/868001032.db2.gz JEXBURGCFKPOLU-UHFFFAOYSA-N -1 1 407.373 4.341 20 30 HIEDMM N#CC1(c2ccc(C(=O)Nc3ccc(C(=O)NC4CCCCC4)c([O-])c3)cc2)CC1 ZINC000444389997 868804970 /nfs/dbraw/zinc/80/49/70/868804970.db2.gz DVYKTXZAPUYPRK-UHFFFAOYSA-N -1 1 403.482 4.262 20 30 HIEDMM COc1cccc(C(=O)c2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2)c1 ZINC000444445879 868830973 /nfs/dbraw/zinc/83/09/73/868830973.db2.gz SPMCYVIMQDSXEG-HXUWFJFHSA-N -1 1 409.445 4.303 20 30 HIEDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)c1 ZINC000448046799 871878062 /nfs/dbraw/zinc/87/80/62/871878062.db2.gz CBIZGOVJJHXRKY-UHFFFAOYSA-N -1 1 421.478 4.448 20 30 HIEDMM C=CCOCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000463240884 876296446 /nfs/dbraw/zinc/29/64/46/876296446.db2.gz BDPOEQAYLZQWQY-UHFFFAOYSA-N -1 1 422.934 4.371 20 30 HIEDMM COCCOCc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000464181090 877351963 /nfs/dbraw/zinc/35/19/63/877351963.db2.gz DLXXAEOILBIFEJ-HXUWFJFHSA-N -1 1 417.490 4.335 20 30 HIEDMM C=C(C)C[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000466777740 880557274 /nfs/dbraw/zinc/55/72/74/880557274.db2.gz TZAUQQCWUZSSBJ-OAHLLOKOSA-N -1 1 417.487 4.245 20 30 HIEDMM C=CCC(CC=C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000467318408 881064681 /nfs/dbraw/zinc/06/46/81/881064681.db2.gz BOHVXQQNLBNNLU-UHFFFAOYSA-N -1 1 406.454 4.473 20 30 HIEDMM Cc1csc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc2F)n1 ZINC000470266155 884616798 /nfs/dbraw/zinc/61/67/98/884616798.db2.gz YGBLXUTXVDZSEX-UHFFFAOYSA-N -1 1 403.460 4.364 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000475805670 890741187 /nfs/dbraw/zinc/74/11/87/890741187.db2.gz AEWBNDGOIIEMMS-UHFFFAOYSA-N -1 1 420.359 4.216 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(COCCOc2ccccc2)c1 ZINC000475813300 890748843 /nfs/dbraw/zinc/74/88/43/890748843.db2.gz ORGWQYPITTWKGE-UHFFFAOYSA-N -1 1 422.506 4.149 20 30 HIEDMM CC[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC000478790153 894064869 /nfs/dbraw/zinc/06/48/69/894064869.db2.gz BQEXHACWISTSOR-SFHVURJKSA-N -1 1 413.543 4.125 20 30 HIEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(CCC#N)CCC(C)C)cc1 ZINC000505163328 913853814 /nfs/dbraw/zinc/85/38/14/913853814.db2.gz CGPYEIAURQTOHQ-UHFFFAOYSA-N -1 1 413.543 4.198 20 30 HIEDMM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2cc(Br)ccc2n1 ZINC000505417515 914082507 /nfs/dbraw/zinc/08/25/07/914082507.db2.gz YTIFXDLGWNDTHF-MRXNPFEDSA-N -1 1 424.302 4.114 20 30 HIEDMM C=C(C)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000482113616 897564727 /nfs/dbraw/zinc/56/47/27/897564727.db2.gz LXTHGMNIULESMV-UHFFFAOYSA-N -1 1 412.433 4.154 20 30 HIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)n1 ZINC000483844015 899524111 /nfs/dbraw/zinc/52/41/11/899524111.db2.gz XUTRZDUOKZRECF-LLVKDONJSA-N -1 1 408.405 4.374 20 30 HIEDMM N#Cc1ccc(SCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000484636377 900085495 /nfs/dbraw/zinc/08/54/95/900085495.db2.gz GQHHGYPZOWOCCP-UHFFFAOYSA-N -1 1 423.519 4.090 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)cc1C(F)(F)F ZINC000486089875 901278374 /nfs/dbraw/zinc/27/83/74/901278374.db2.gz PHCDJJUBNOWQAN-UHFFFAOYSA-N -1 1 408.401 4.361 20 30 HIEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c1 ZINC000486096133 901283877 /nfs/dbraw/zinc/28/38/77/901283877.db2.gz OLNUAGDPJVOBFA-UHFFFAOYSA-N -1 1 419.300 4.104 20 30 HIEDMM C=CCC(C)(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000489710219 903552982 /nfs/dbraw/zinc/55/29/82/903552982.db2.gz ZVEKWUGGMKFPNX-UHFFFAOYSA-N -1 1 408.470 4.098 20 30 HIEDMM CCc1ccc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000489952538 903694092 /nfs/dbraw/zinc/69/40/92/903694092.db2.gz HWZCNFIDHLXVSU-QFIPXVFZSA-N -1 1 419.506 4.044 20 30 HIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000494681530 905896766 /nfs/dbraw/zinc/89/67/66/905896766.db2.gz SOIBUTHJTDPLLF-UHFFFAOYSA-N -1 1 414.405 4.111 20 30 HIEDMM N#CC(=C([O-])c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(C(F)(F)F)cn1 ZINC000496191968 906624474 /nfs/dbraw/zinc/62/44/74/906624474.db2.gz YNBDJBCQMBDBKP-LLVKDONJSA-N -1 1 401.247 4.100 20 30 HIEDMM C=CCN(CCc1ccco1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000496688467 906736079 /nfs/dbraw/zinc/73/60/79/906736079.db2.gz IYIXURPSBKCDQK-UHFFFAOYSA-N -1 1 424.522 4.260 20 30 HIEDMM N#CC(=C([O-])c1ccc(N2CCCCCC2)nc1)c1nc(-c2ccncc2)cs1 ZINC000512963467 921440851 /nfs/dbraw/zinc/44/08/51/921440851.db2.gz FFQFSVROGGOXQG-SFHVURJKSA-N -1 1 403.511 4.471 20 30 HIEDMM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1Br ZINC000512963317 921441323 /nfs/dbraw/zinc/44/13/23/921441323.db2.gz CDLPCJMCMUJBNE-ZDUSSCGKSA-N -1 1 414.284 4.466 20 30 HIEDMM CCc1c(Br)cc(C([O-])=C(C#N)c2ccncn2)cc1Br ZINC000502746220 911769561 /nfs/dbraw/zinc/76/95/61/911769561.db2.gz CLLNCDORWVVGKX-NSHDSACASA-N -1 1 409.081 4.054 20 30 HIEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)ccc1C ZINC000506640357 915310031 /nfs/dbraw/zinc/31/00/31/915310031.db2.gz YDZCFCKNMHLHLO-HNNXBMFYSA-N -1 1 418.540 4.367 20 30 HIEDMM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000513422041 921791047 /nfs/dbraw/zinc/79/10/47/921791047.db2.gz QXFFNJZMEFHDID-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000509392411 918058684 /nfs/dbraw/zinc/05/86/84/918058684.db2.gz QCOQWCSCUAFKLO-UHFFFAOYSA-N -1 1 419.222 4.335 20 30 HIEDMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CC#N)ccc2C)cc1 ZINC000512110921 920867254 /nfs/dbraw/zinc/86/72/54/920867254.db2.gz AHDACRPNNUUPEA-KRWDZBQOSA-N -1 1 413.543 4.170 20 30 HIEDMM N#C[C@H](C(=O)c1ccc(C(F)(F)F)nc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000513654870 921976468 /nfs/dbraw/zinc/97/64/68/921976468.db2.gz NJOLHXZXMJZGGC-LLVKDONJSA-N -1 1 418.400 4.180 20 30 HIEDMM Cn1c(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc2ccccc21 ZINC000518175821 927064652 /nfs/dbraw/zinc/06/46/52/927064652.db2.gz HVLAMHNQXIJVNS-AWEZNQCLSA-N -1 1 402.479 4.257 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(COc3ccccc3)cc2)n1 ZINC000518664355 927415928 /nfs/dbraw/zinc/41/59/28/927415928.db2.gz PHEYWLKIXMIXEI-SFHVURJKSA-N -1 1 406.463 4.389 20 30 HIEDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1C ZINC000518740331 927467727 /nfs/dbraw/zinc/46/77/27/927467727.db2.gz VTQQGKLQTMUFSK-MRXNPFEDSA-N -1 1 420.556 4.215 20 30 HIEDMM C=C(C)[C@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)OCC ZINC000533702438 931978444 /nfs/dbraw/zinc/97/84/44/931978444.db2.gz VRQKVQPLCYGSHG-FQEVSTJZSA-N -1 1 416.543 4.414 20 30 HIEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n[nH]c1-c1ccccc1 ZINC000534799537 932776885 /nfs/dbraw/zinc/77/68/85/932776885.db2.gz BTNBGVBNDMUIQS-UHFFFAOYSA-N -1 1 406.389 4.076 20 30 HIEDMM C=CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)C1CC1 ZINC000537931609 938419951 /nfs/dbraw/zinc/41/99/51/938419951.db2.gz ZVHSWWQYJOOICH-UHFFFAOYSA-N -1 1 424.444 4.297 20 30 HIEDMM O=C([N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCOC1 ZINC000542155334 939734662 /nfs/dbraw/zinc/73/46/62/939734662.db2.gz ZLJLPHIDJWVKKA-HQJQHLMTSA-N -1 1 409.248 4.480 20 30 HIEDMM Cc1c(Cl)cnc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1C#N ZINC000544066376 940316227 /nfs/dbraw/zinc/31/62/27/940316227.db2.gz AWBXAXRTFXDSGO-UHFFFAOYSA-N -1 1 412.902 4.328 20 30 HIEDMM N#CC(=C([O-])c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1ccncn1 ZINC000546860221 940896754 /nfs/dbraw/zinc/89/67/54/940896754.db2.gz JFNYAKWCUTZMRC-IBGZPJMESA-N -1 1 420.432 4.020 20 30 HIEDMM CCOc1cc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000547270340 941048988 /nfs/dbraw/zinc/04/89/88/941048988.db2.gz UEOJYMDKXOOXDA-AWEZNQCLSA-N -1 1 414.767 4.338 20 30 HIEDMM N#Cc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1Cl ZINC000547975900 941081803 /nfs/dbraw/zinc/08/18/03/941081803.db2.gz UYTUDXIYOPEIDE-ZDUSSCGKSA-N -1 1 408.870 4.291 20 30 HIEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCC(C)(C)CCC#N)c2)c1 ZINC000554071848 942029475 /nfs/dbraw/zinc/02/94/75/942029475.db2.gz QGIWGSPCBJYBCY-UHFFFAOYSA-N -1 1 413.543 4.164 20 30 HIEDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c(C)c1C ZINC000554687522 942200009 /nfs/dbraw/zinc/20/00/09/942200009.db2.gz MVCLZHMKGZKLOC-UHFFFAOYSA-N -1 1 409.305 4.055 20 30 HIEDMM Cc1cccc2nc(C(C#N)=C([O-])c3cc([N+](=O)[O-])cc(Br)c3C)[nH]c21 ZINC000556555556 942897714 /nfs/dbraw/zinc/89/77/14/942897714.db2.gz XWQJBYVTPNTMDX-CYBMUJFWSA-N -1 1 413.231 4.341 20 30 HIEDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)c1 ZINC000571036690 947451082 /nfs/dbraw/zinc/45/10/82/947451082.db2.gz UOONMINVJFWSAO-UHFFFAOYSA-N -1 1 424.438 4.071 20 30 HIEDMM C[C@](C#N)(NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CCCCC1 ZINC000573236460 948117154 /nfs/dbraw/zinc/11/71/54/948117154.db2.gz ZTRHGNPVLYSYSZ-JOCHJYFZSA-N -1 1 411.527 4.080 20 30 HIEDMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)cc1 ZINC000574851143 948544353 /nfs/dbraw/zinc/54/43/53/948544353.db2.gz XGDSOXHPZYHGFS-UHFFFAOYSA-N -1 1 421.478 4.385 20 30 HIEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c1C#N ZINC000436243561 861552358 /nfs/dbraw/zinc/55/23/58/861552358.db2.gz ANYLMAOGBNLDBD-UHFFFAOYSA-N -1 1 411.531 4.196 20 30 HIEDMM N#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC000008114993 845477543 /nfs/dbraw/zinc/47/75/43/845477543.db2.gz AILUUWUJNLUKAV-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)CCc3ccc(C)cc3C)n2)n[n-]c1=S ZINC000025682058 847019491 /nfs/dbraw/zinc/01/94/91/847019491.db2.gz WVQOKITXBRBHKK-UHFFFAOYSA-N -1 1 413.572 4.362 20 30 HIEDMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 ZINC000436509627 861829978 /nfs/dbraw/zinc/82/99/78/861829978.db2.gz RWUBMWNDERWTHJ-UHFFFAOYSA-N -1 1 402.406 4.289 20 30 HIEDMM Cc1ccc(F)c(S(=O)(=O)[N-]C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000032434508 848025244 /nfs/dbraw/zinc/02/52/44/848025244.db2.gz HWCZGTFKDCJBKM-NXEZZACHSA-N -1 1 407.351 4.322 20 30 HIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(CS(C)(=O)=O)cc3)n2)cc1 ZINC000041513697 848224897 /nfs/dbraw/zinc/22/48/97/848224897.db2.gz PCPAEVXXORPWJJ-SFHVURJKSA-N -1 1 410.520 4.153 20 30 HIEDMM Cc1ccc(NC(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000045774171 848725570 /nfs/dbraw/zinc/72/55/70/848725570.db2.gz BQROJNQFYGRQGN-UHFFFAOYSA-N -1 1 406.467 4.312 20 30 HIEDMM N#CC(=C([O-])c1ccc(I)cc1)c1nc2ccccc2s1 ZINC000046441393 848848863 /nfs/dbraw/zinc/84/88/63/848848863.db2.gz SHGQGOZUYGZWOD-GFCCVEGCSA-N -1 1 404.232 4.391 20 30 HIEDMM CCOc1cc(-c2noc(Cc3ccc(C#N)cc3)n2)cc(Br)c1[O-] ZINC000436765563 861957915 /nfs/dbraw/zinc/95/79/15/861957915.db2.gz CARBUZLNIWGNGG-UHFFFAOYSA-N -1 1 400.232 4.066 20 30 HIEDMM Cc1ccc(NC(=O)c2cccc(CC#N)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000053159061 849673781 /nfs/dbraw/zinc/67/37/81/849673781.db2.gz LVPCIOVUTSWHSQ-UHFFFAOYSA-N -1 1 405.479 4.114 20 30 HIEDMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055632862 850083706 /nfs/dbraw/zinc/08/37/06/850083706.db2.gz MGFIVXPHGOTSJS-UHFFFAOYSA-N -1 1 419.934 4.275 20 30 HIEDMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000055640044 850088569 /nfs/dbraw/zinc/08/85/69/850088569.db2.gz YZSCIACNMJIVDE-UHFFFAOYSA-N -1 1 409.305 4.241 20 30 HIEDMM C=C(C)COc1cccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436961602 862140908 /nfs/dbraw/zinc/14/09/08/862140908.db2.gz MOGWNJJRZIBSGV-UHFFFAOYSA-N -1 1 407.426 4.148 20 30 HIEDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000064476063 851907889 /nfs/dbraw/zinc/90/78/89/851907889.db2.gz HIDWWGRLADZYBF-UHFFFAOYSA-N -1 1 402.419 4.022 20 30 HIEDMM C=CCN(CC1CCCCC1)C(=O)Cn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000303485721 854977641 /nfs/dbraw/zinc/97/76/41/854977641.db2.gz UUGMHALVRCMRCX-UHFFFAOYSA-N -1 1 400.548 4.211 20 30 HIEDMM C=CCCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000303842829 855240127 /nfs/dbraw/zinc/24/01/27/855240127.db2.gz MHTDWKAMGDZHEU-UHFFFAOYSA-N -1 1 410.898 4.318 20 30 HIEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000318518868 855382961 /nfs/dbraw/zinc/38/29/61/855382961.db2.gz RDCROHBRWHHVAQ-UHFFFAOYSA-N -1 1 407.623 4.053 20 30 HIEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC)CCC#N)c2)cc1 ZINC000426492423 856318027 /nfs/dbraw/zinc/31/80/27/856318027.db2.gz RBCDVGGJPJNULQ-UHFFFAOYSA-N -1 1 413.543 4.206 20 30 HIEDMM C=CCOc1c(Br)cc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)cc1OC ZINC000426786782 856477786 /nfs/dbraw/zinc/47/77/86/856477786.db2.gz YMQLFYPNOMOFQX-HNNXBMFYSA-N -1 1 424.291 4.230 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1C(F)(F)F ZINC000435172769 860677779 /nfs/dbraw/zinc/67/77/79/860677779.db2.gz YARNPHFLUKCLFO-UHFFFAOYSA-N -1 1 423.338 4.352 20 30 HIEDMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435727899 861011857 /nfs/dbraw/zinc/01/18/57/861011857.db2.gz GZKBJQCGXROJCX-UHFFFAOYSA-N -1 1 402.516 4.001 20 30 HIEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438768619 864263944 /nfs/dbraw/zinc/26/39/44/864263944.db2.gz DQVGMKUTRSPDDN-UHFFFAOYSA-N -1 1 415.309 4.395 20 30 HIEDMM CCOc1cc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc(Cl)c1[O-] ZINC000442933348 867749840 /nfs/dbraw/zinc/74/98/40/867749840.db2.gz GFUJPVTUSYMUCV-UHFFFAOYSA-N -1 1 400.740 4.467 20 30 HIEDMM C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442958232 867764194 /nfs/dbraw/zinc/76/41/94/867764194.db2.gz BFOLXNRDSSGGQO-BMLIUANNSA-N -1 1 403.301 4.239 20 30 HIEDMM COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CCC3)cc1 ZINC000442976389 867773045 /nfs/dbraw/zinc/77/30/45/867773045.db2.gz UAZBJIADZXCSAQ-KRWDZBQOSA-N -1 1 405.479 4.203 20 30 HIEDMM N#Cc1ccc(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1[O-] ZINC000443043896 867801184 /nfs/dbraw/zinc/80/11/84/867801184.db2.gz AZKZNZDQNDFAEF-MRXNPFEDSA-N -1 1 408.502 4.180 20 30 HIEDMM C=C[C@](C)(CC)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000443136363 867835873 /nfs/dbraw/zinc/83/58/73/867835873.db2.gz ZDSFAISWGBUTOE-LJQANCHMSA-N -1 1 408.907 4.387 20 30 HIEDMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)cc2)o1 ZINC000443375625 867936976 /nfs/dbraw/zinc/93/69/76/867936976.db2.gz UBKLWROFGXLIGM-UHFFFAOYSA-N -1 1 418.272 4.085 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)ccc1C(F)(F)F ZINC000443408297 867989565 /nfs/dbraw/zinc/98/95/65/867989565.db2.gz SOIYGQXQLZAHED-UHFFFAOYSA-N -1 1 410.417 4.304 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)ccc1C(F)(F)F ZINC000443411099 867995872 /nfs/dbraw/zinc/99/58/72/867995872.db2.gz COFCUSJVBMBVGB-UHFFFAOYSA-N -1 1 406.332 4.022 20 30 HIEDMM COc1cc(-c2noc(C3(c4cccc(C#N)c4)CC3)n2)cc(Br)c1[O-] ZINC000445398747 869484648 /nfs/dbraw/zinc/48/46/48/869484648.db2.gz YGHKQCXTOSXYRZ-UHFFFAOYSA-N -1 1 412.243 4.165 20 30 HIEDMM COc1cc(C)c(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1OC ZINC000447239648 871124099 /nfs/dbraw/zinc/12/40/99/871124099.db2.gz TXEYJHYDWXRFCC-CQSZACIVSA-N -1 1 423.494 4.091 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1C(F)(F)F ZINC000447777009 871705916 /nfs/dbraw/zinc/70/59/16/871705916.db2.gz MROOOLVSCDQBKG-UHFFFAOYSA-N -1 1 410.295 4.118 20 30 HIEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)cc1 ZINC000460442820 873111744 /nfs/dbraw/zinc/11/17/44/873111744.db2.gz KLNMBLSCKXJIBD-UHFFFAOYSA-N -1 1 402.422 4.351 20 30 HIEDMM N#Cc1cccc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c1 ZINC000469044417 883114698 /nfs/dbraw/zinc/11/46/98/883114698.db2.gz UQICBIOLQHFSBO-UHFFFAOYSA-N -1 1 402.635 4.068 20 30 HIEDMM C=C[C@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000465109369 878484860 /nfs/dbraw/zinc/48/48/60/878484860.db2.gz FBLUPWXSRVDIRH-LBPRGKRZSA-N -1 1 413.326 4.027 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 ZINC000503842401 912839058 /nfs/dbraw/zinc/83/90/58/912839058.db2.gz CYWPIAHMKVOWIA-CQSZACIVSA-N -1 1 408.323 4.159 20 30 HIEDMM COc1cc(S(=O)(=O)[N-]c2cccc(OCc3cccc(C#N)c3)c2)ccc1F ZINC000471593095 886303771 /nfs/dbraw/zinc/30/37/71/886303771.db2.gz IPACEFKRSUUMJP-UHFFFAOYSA-N -1 1 412.442 4.086 20 30 HIEDMM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000473424498 888143039 /nfs/dbraw/zinc/14/30/39/888143039.db2.gz ZZMVXFPVZUYPBK-UHFFFAOYSA-N -1 1 403.660 4.223 20 30 HIEDMM CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000504546816 913323035 /nfs/dbraw/zinc/32/30/35/913323035.db2.gz HIYSFKHJLJSDOI-LJQANCHMSA-N -1 1 405.907 4.328 20 30 HIEDMM N#Cc1nc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)ccc1Cl ZINC000474778524 889635532 /nfs/dbraw/zinc/63/55/32/889635532.db2.gz AKWWFZRTYZCVPT-UHFFFAOYSA-N -1 1 416.865 4.159 20 30 HIEDMM N#Cc1cc(F)c(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(F)c1 ZINC000474784806 889641677 /nfs/dbraw/zinc/64/16/77/889641677.db2.gz UDWGZZJMDPNMIC-UHFFFAOYSA-N -1 1 417.412 4.388 20 30 HIEDMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000476412403 891326347 /nfs/dbraw/zinc/32/63/47/891326347.db2.gz RFSRSZJOYOIYHP-NSHDSACASA-N -1 1 424.931 4.399 20 30 HIEDMM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1F ZINC000477318159 892282157 /nfs/dbraw/zinc/28/21/57/892282157.db2.gz XSBRAALNRVBVRU-UHFFFAOYSA-N -1 1 412.398 4.019 20 30 HIEDMM CC[C@H](C)n1nc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1C ZINC000480963803 896302916 /nfs/dbraw/zinc/30/29/16/896302916.db2.gz OHKPAKFFIDQXSG-SMDDNHRTSA-N -1 1 409.515 4.242 20 30 HIEDMM CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1C ZINC000482551803 898142191 /nfs/dbraw/zinc/14/21/91/898142191.db2.gz DMYVQENUUKKAOI-RISCZKNCSA-N -1 1 409.515 4.242 20 30 HIEDMM N#CC(=C([O-])c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cnc2ccccc2n1 ZINC000483228711 898872063 /nfs/dbraw/zinc/87/20/63/898872063.db2.gz MTJIHOTXNHAMPQ-ZDUSSCGKSA-N -1 1 409.327 4.189 20 30 HIEDMM N#Cc1cccc(COc2cccc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)c2)c1 ZINC000488016849 902537315 /nfs/dbraw/zinc/53/73/15/902537315.db2.gz WIFGAMRKSXKINS-UHFFFAOYSA-N -1 1 422.444 4.344 20 30 HIEDMM C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489759755 903586102 /nfs/dbraw/zinc/58/61/02/903586102.db2.gz BDEUXPOESSDLGZ-LLVKDONJSA-N -1 1 410.904 4.233 20 30 HIEDMM N#Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000490888756 904304590 /nfs/dbraw/zinc/30/45/90/904304590.db2.gz ZXIATGYFDYVLGX-UHFFFAOYSA-N -1 1 423.519 4.090 20 30 HIEDMM Cc1c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cnn1-c1ccc(Cl)cc1 ZINC000494438671 905723159 /nfs/dbraw/zinc/72/31/59/905723159.db2.gz HDSNOWKWDGSLIW-UHFFFAOYSA-N -1 1 407.282 4.160 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)NC(=O)CS4)n2)cc1 ZINC000512493806 921199451 /nfs/dbraw/zinc/19/94/51/921199451.db2.gz LCEYPZGFTIRNPQ-OAHLLOKOSA-N -1 1 421.503 4.353 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C#N)cc(N(C)C)c3)n2)cc1 ZINC000497362679 906853971 /nfs/dbraw/zinc/85/39/71/906853971.db2.gz IZZBRIKHSHWLJX-IBGZPJMESA-N -1 1 402.479 4.246 20 30 HIEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000497846376 907325892 /nfs/dbraw/zinc/32/58/92/907325892.db2.gz LQGRRNSGUIIGSS-SFHVURJKSA-N -1 1 404.388 4.275 20 30 HIEDMM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1Br ZINC000512963316 921440749 /nfs/dbraw/zinc/44/07/49/921440749.db2.gz CDLPCJMCMUJBNE-CYBMUJFWSA-N -1 1 414.284 4.466 20 30 HIEDMM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(F)c(F)c(F)c1 ZINC000507918930 916797471 /nfs/dbraw/zinc/79/74/71/916797471.db2.gz DYNWEVZNHJQOBD-CYBMUJFWSA-N -1 1 401.303 4.215 20 30 HIEDMM C[C@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000512105893 920863632 /nfs/dbraw/zinc/86/36/32/920863632.db2.gz NAMHHHSALDCSTB-QGZVFWFLSA-N -1 1 419.506 4.186 20 30 HIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1cccc(Cl)c1 ZINC000513666811 921989662 /nfs/dbraw/zinc/98/96/62/921989662.db2.gz OYSGJZOBKWKJRF-INIZCTEOSA-N -1 1 403.873 4.465 20 30 HIEDMM N#C[C@@H](C(=O)c1cc2ccccc2[nH]c1=O)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000513682058 922004166 /nfs/dbraw/zinc/00/41/66/922004166.db2.gz NZOUYIJGEXYWCK-AWEZNQCLSA-N -1 1 416.462 4.020 20 30 HIEDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)cc1 ZINC000517437625 924187161 /nfs/dbraw/zinc/18/71/61/924187161.db2.gz HUZLUGVGRPAMIK-MRXNPFEDSA-N -1 1 420.556 4.154 20 30 HIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3OC)c2)c1 ZINC000517688814 926793918 /nfs/dbraw/zinc/79/39/18/926793918.db2.gz FMJOSFDFBGPIOU-UHFFFAOYSA-N -1 1 422.506 4.079 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)CCC(=O)N4)n2)cc1 ZINC000517800662 926842101 /nfs/dbraw/zinc/84/21/01/926842101.db2.gz AGRJTYFTDJBPBF-QGZVFWFLSA-N -1 1 403.463 4.193 20 30 HIEDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)cc1C ZINC000519398445 927922624 /nfs/dbraw/zinc/92/26/24/927922624.db2.gz AKDMPHIIYRUWLL-OAHLLOKOSA-N -1 1 420.556 4.073 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)CCCC4)cc2)cc1Cl ZINC000520880947 928857732 /nfs/dbraw/zinc/85/77/32/928857732.db2.gz VWIWSLYIXAFICD-UHFFFAOYSA-N -1 1 412.902 4.212 20 30 HIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 ZINC000520924283 928876807 /nfs/dbraw/zinc/87/68/07/928876807.db2.gz SIERJYLJADQAEF-ZDUSSCGKSA-N -1 1 421.544 4.003 20 30 HIEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000521712125 929382011 /nfs/dbraw/zinc/38/20/11/929382011.db2.gz KIBAVGHVHLWNNY-AWEZNQCLSA-N -1 1 415.540 4.014 20 30 HIEDMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 ZINC000521800329 929458487 /nfs/dbraw/zinc/45/84/87/929458487.db2.gz KPHNJKVDSFLQAM-UHFFFAOYSA-N -1 1 421.478 4.283 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(C#N)c3)ccc2C)c1 ZINC000524497614 929644322 /nfs/dbraw/zinc/64/43/22/929644322.db2.gz RHYQEYNSSCEUOG-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM N#C[C@@H](C(=O)c1cnc2ccsc2c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000524761284 929821695 /nfs/dbraw/zinc/82/16/95/929821695.db2.gz CYRHSFQPCQJKRL-LBPRGKRZSA-N -1 1 406.492 4.375 20 30 HIEDMM CC1CC(C#N)(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)C1 ZINC000526116428 930537416 /nfs/dbraw/zinc/53/74/16/930537416.db2.gz XWCDJPBKUHNPED-UHFFFAOYSA-N -1 1 421.881 4.158 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1C(F)(F)F ZINC000535382866 933106339 /nfs/dbraw/zinc/10/63/39/933106339.db2.gz AHOXWONFEMDPRQ-UHFFFAOYSA-N -1 1 416.331 4.192 20 30 HIEDMM N#C[C@@H](C(=O)c1cccc([C@@H]2CCOC2)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000535637965 933279675 /nfs/dbraw/zinc/27/96/75/933279675.db2.gz LWJHKPMBHFIBPW-WBVHZDCISA-N -1 1 419.506 4.270 20 30 HIEDMM COc1cccc(COc2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2C)c1 ZINC000535895263 933475315 /nfs/dbraw/zinc/47/53/15/933475315.db2.gz UNVHLHMHFPETRO-UHFFFAOYSA-N -1 1 408.479 4.255 20 30 HIEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)c1 ZINC000562911561 945151009 /nfs/dbraw/zinc/15/10/09/945151009.db2.gz KEJCPNCABRXATA-UHFFFAOYSA-N -1 1 414.284 4.184 20 30 HIEDMM N#CC(=C([O-])c1cccnc1OCC(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000537666659 938349892 /nfs/dbraw/zinc/34/98/92/938349892.db2.gz SIIQMCXGXYGVEE-LLVKDONJSA-N -1 1 410.302 4.258 20 30 HIEDMM C=CCCC[C@@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000538334752 938595792 /nfs/dbraw/zinc/59/57/92/938595792.db2.gz VSUBHGPEASVGOW-MRXNPFEDSA-N -1 1 404.507 4.030 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)cc1Cl ZINC000538496899 938635614 /nfs/dbraw/zinc/63/56/14/938635614.db2.gz NHRUEYZJJHVRTK-UHFFFAOYSA-N -1 1 410.842 4.216 20 30 HIEDMM N#CC(=C([O-])c1ccccc1OCc1ccccc1Br)c1ccncn1 ZINC000545446603 940570303 /nfs/dbraw/zinc/57/03/03/940570303.db2.gz OXUPEUQWXYXRAP-INIZCTEOSA-N -1 1 408.255 4.308 20 30 HIEDMM C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(C#N)cc1 ZINC000545513741 940572611 /nfs/dbraw/zinc/57/26/11/940572611.db2.gz WPZGYNYENJQTJF-MRXNPFEDSA-N -1 1 420.494 4.242 20 30 HIEDMM CCOc1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc(Cl)c1[O-] ZINC000546549174 940849923 /nfs/dbraw/zinc/84/99/23/940849923.db2.gz CMIHMCNGOPCXKJ-CQSZACIVSA-N -1 1 409.667 4.201 20 30 HIEDMM O=C([N-][C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)NCC(F)(F)C(F)F ZINC000549238888 941173203 /nfs/dbraw/zinc/17/32/03/941173203.db2.gz YUTRTTNWFXDINJ-MRVPVSSYSA-N -1 1 416.215 4.388 20 30 HIEDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)n1 ZINC000552963935 941809700 /nfs/dbraw/zinc/80/97/00/941809700.db2.gz CUNKCQBZQDGPTA-CYBMUJFWSA-N -1 1 402.545 4.117 20 30 HIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccccc3CN3CCOCC3)n2)cc1 ZINC000555085756 942381664 /nfs/dbraw/zinc/38/16/64/942381664.db2.gz XLHSNNUSMYEALQ-OAQYLSRUSA-N -1 1 417.534 4.441 20 30 HIEDMM N#CCCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1 ZINC000561800961 944802161 /nfs/dbraw/zinc/80/21/61/944802161.db2.gz KMCIYJVHOHLDCO-UHFFFAOYSA-N -1 1 423.469 4.187 20 30 HIEDMM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccccc3-c3ccno3)cc2)ccn1 ZINC000562233127 945034629 /nfs/dbraw/zinc/03/46/29/945034629.db2.gz KLKOBHLYDBCYBH-UHFFFAOYSA-N -1 1 418.434 4.201 20 30 HIEDMM C=CCCc1ccccc1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000565571364 945851730 /nfs/dbraw/zinc/85/17/30/945851730.db2.gz KRJFIXLMPDFEOP-UHFFFAOYSA-N -1 1 413.326 4.029 20 30 HIEDMM C=CCN(Cc1ccccc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000024497941 846832192 /nfs/dbraw/zinc/83/21/92/846832192.db2.gz JULLCULRYYOUPM-UHFFFAOYSA-N -1 1 406.507 4.316 20 30 HIEDMM C=CCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436534714 861839184 /nfs/dbraw/zinc/83/91/84/861839184.db2.gz PIGMRQXYJLOQOQ-UHFFFAOYSA-N -1 1 414.330 4.113 20 30 HIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc(S(C)(=O)=O)ccc3C)n2)cc1 ZINC000041513615 848224468 /nfs/dbraw/zinc/22/44/68/848224468.db2.gz WOVGTTBQDVFUCB-GOSISDBHSA-N -1 1 410.520 4.321 20 30 HIEDMM CN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436682133 861893163 /nfs/dbraw/zinc/89/31/63/861893163.db2.gz UIQJSCNXMCLMSO-UHFFFAOYSA-N -1 1 421.403 4.067 20 30 HIEDMM COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436787693 861978283 /nfs/dbraw/zinc/97/82/83/861978283.db2.gz QCEOAFXUIJPJSV-UHFFFAOYSA-N -1 1 417.421 4.275 20 30 HIEDMM CSc1nc(C2CC2)cc(C(=O)Nc2cc(Br)ccc2[O-])c1C#N ZINC000436800606 861992171 /nfs/dbraw/zinc/99/21/71/861992171.db2.gz WNCHTFPNNLBNDL-UHFFFAOYSA-N -1 1 404.289 4.273 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)ccc1Cl ZINC000055580202 850061985 /nfs/dbraw/zinc/06/19/85/850061985.db2.gz XCKNKCUMNPIOJA-UHFFFAOYSA-N -1 1 417.899 4.326 20 30 HIEDMM CC1(C)CCCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])[C@H]1C#N ZINC000436911045 862088890 /nfs/dbraw/zinc/08/88/90/862088890.db2.gz RMXQXXBZLBXEFG-IBGZPJMESA-N -1 1 413.424 4.077 20 30 HIEDMM C=CCN(CCc1ccccc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000065912383 852313710 /nfs/dbraw/zinc/31/37/10/852313710.db2.gz YPYFEYCSLSCWLH-UHFFFAOYSA-N -1 1 420.534 4.358 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3cc(=O)[nH]c4ccccc43)nc2C)n[n-]c1=S ZINC000111200870 853221190 /nfs/dbraw/zinc/22/11/90/853221190.db2.gz JWXVZWWLZPZYIW-UHFFFAOYSA-N -1 1 424.511 4.065 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)[C@H](C)c3cccc(OC)c3)nc2C)n[n-]c1=S ZINC000195609132 853711679 /nfs/dbraw/zinc/71/16/79/853711679.db2.gz PYAXUMSUJYGGQL-LLVKDONJSA-N -1 1 415.544 4.309 20 30 HIEDMM CC(=O)N(c1nc(/C=C2/Oc3cc([O-])ccc3C2=O)cs1)c1ccc(F)cc1F ZINC000212106382 853819075 /nfs/dbraw/zinc/81/90/75/853819075.db2.gz UUUMBXFFRCBWFT-CNHKJKLMSA-N -1 1 414.389 4.428 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1C(F)(F)F ZINC000321747194 855391507 /nfs/dbraw/zinc/39/15/07/855391507.db2.gz ADPUAEWDFQVOGM-UHFFFAOYSA-N -1 1 405.195 4.140 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(Cl)c2)cc1F ZINC000427301683 856759899 /nfs/dbraw/zinc/75/98/99/856759899.db2.gz YGBHNNNHWSGUKI-UHFFFAOYSA-N -1 1 408.760 4.093 20 30 HIEDMM Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cccc1-c1ncco1 ZINC000427346932 856784692 /nfs/dbraw/zinc/78/46/92/856784692.db2.gz XZFKEKWZKYXQTK-UHFFFAOYSA-N -1 1 407.373 4.341 20 30 HIEDMM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432769854 859350845 /nfs/dbraw/zinc/35/08/45/859350845.db2.gz QCRKEFVWANNPKL-UHFFFAOYSA-N -1 1 421.316 4.350 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1C(F)(F)F ZINC000435166637 860673834 /nfs/dbraw/zinc/67/38/34/860673834.db2.gz UBZWOQUADJSCBB-UHFFFAOYSA-N -1 1 410.295 4.118 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)ccc1C#N ZINC000435762486 861041112 /nfs/dbraw/zinc/04/11/12/861041112.db2.gz SUKLZDHKJMVUQY-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(Br)c1 ZINC000438762354 864257275 /nfs/dbraw/zinc/25/72/75/864257275.db2.gz WEENMRLIQDFFRT-UHFFFAOYSA-N -1 1 408.321 4.252 20 30 HIEDMM Cc1nc2c(cccc2C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)o1 ZINC000439030556 864486970 /nfs/dbraw/zinc/48/69/70/864486970.db2.gz VBIVLXBGHIIGSZ-CYBMUJFWSA-N -1 1 404.451 4.215 20 30 HIEDMM C=CCC[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000441613082 866709205 /nfs/dbraw/zinc/70/92/05/866709205.db2.gz SSJRNMZHLBMKGG-INIZCTEOSA-N -1 1 401.388 4.379 20 30 HIEDMM C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442958238 867764178 /nfs/dbraw/zinc/76/41/78/867764178.db2.gz BFOLXNRDSSGGQO-QGHHPUGFSA-N -1 1 403.301 4.239 20 30 HIEDMM CSCCc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000443366660 867930654 /nfs/dbraw/zinc/93/06/54/867930654.db2.gz AUIXFLNOWVIKHL-UHFFFAOYSA-N -1 1 411.346 4.027 20 30 HIEDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000443399989 867959524 /nfs/dbraw/zinc/95/95/24/867959524.db2.gz OZNGVTZECRHCDW-UHFFFAOYSA-N -1 1 411.405 4.116 20 30 HIEDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c2)n1 ZINC000443418201 868002520 /nfs/dbraw/zinc/00/25/20/868002520.db2.gz YIEWMRBKEVYOKX-UHFFFAOYSA-N -1 1 407.373 4.341 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)cc1Cl ZINC000443417263 868002756 /nfs/dbraw/zinc/00/27/56/868002756.db2.gz PMYZOOKUWXFYRP-UHFFFAOYSA-N -1 1 408.760 4.093 20 30 HIEDMM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1ccccc1OC(F)(F)F ZINC000447272031 871159567 /nfs/dbraw/zinc/15/95/67/871159567.db2.gz BLBITFOKUDQESL-UHFFFAOYSA-N -1 1 419.274 4.266 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C(=O)N(C)C)c3)n2)cc1 ZINC000503540241 912600135 /nfs/dbraw/zinc/60/01/35/912600135.db2.gz NFCYPYREZKWWBT-GOSISDBHSA-N -1 1 405.479 4.011 20 30 HIEDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc2)n[nH]1 ZINC000469106119 883197201 /nfs/dbraw/zinc/19/72/01/883197201.db2.gz TZKRNHAUJOGZKN-UHFFFAOYSA-N -1 1 422.388 4.202 20 30 HIEDMM Cc1nc(CC2CC2)oc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000475027344 889880193 /nfs/dbraw/zinc/88/01/93/889880193.db2.gz BMOUKIRPXJEVHK-ZDUSSCGKSA-N -1 1 408.483 4.015 20 30 HIEDMM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1ccc(CC(F)(F)F)cc1 ZINC000479596754 894876157 /nfs/dbraw/zinc/87/61/57/894876157.db2.gz YLAJFIXTSDQUTD-UHFFFAOYSA-N -1 1 416.424 4.387 20 30 HIEDMM C=C(CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000480682102 896044207 /nfs/dbraw/zinc/04/42/07/896044207.db2.gz RRCIYGBCNOQHOK-UHFFFAOYSA-N -1 1 407.495 4.322 20 30 HIEDMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000484483243 899975578 /nfs/dbraw/zinc/97/55/78/899975578.db2.gz BONDSVVAZZPPGM-UHFFFAOYSA-N -1 1 424.478 4.306 20 30 HIEDMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)c(C#N)c2)cc1 ZINC000488373270 902786720 /nfs/dbraw/zinc/78/67/20/902786720.db2.gz WYZLINWBJYWXDJ-UHFFFAOYSA-N -1 1 421.478 4.134 20 30 HIEDMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(C(F)(F)F)c3)ccc21 ZINC000489751719 903579644 /nfs/dbraw/zinc/57/96/44/903579644.db2.gz IORSMRYRLWLOHC-UHFFFAOYSA-N -1 1 408.405 4.308 20 30 HIEDMM C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489759763 903586357 /nfs/dbraw/zinc/58/63/57/903586357.db2.gz BDEUXPOESSDLGZ-NSHDSACASA-N -1 1 410.904 4.233 20 30 HIEDMM CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c(=O)[n-]1 ZINC000490583332 904115179 /nfs/dbraw/zinc/11/51/79/904115179.db2.gz VRJFUOZPIZZRBO-UHFFFAOYSA-N -1 1 420.494 4.448 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccccc3-n3cccn3)n2)cc1 ZINC000512503884 921204518 /nfs/dbraw/zinc/20/45/18/921204518.db2.gz MVSNKCBIAYGMAJ-GOSISDBHSA-N -1 1 400.463 4.494 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCC2)cc1C ZINC000513364826 921739917 /nfs/dbraw/zinc/73/99/17/921739917.db2.gz PIEFCOYQGZVZLW-UHFFFAOYSA-N -1 1 411.527 4.038 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000511728804 920394949 /nfs/dbraw/zinc/39/49/49/920394949.db2.gz IYCGIIKCWJFJSJ-UHFFFAOYSA-N -1 1 404.919 4.263 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(-n4cccn4)c3)n2)cc1 ZINC000515909197 923426803 /nfs/dbraw/zinc/42/68/03/923426803.db2.gz JGOXNKIADVKURP-LJQANCHMSA-N -1 1 400.463 4.494 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC3CCCC3)c(OC)c2)n1 ZINC000516352497 923681984 /nfs/dbraw/zinc/68/19/84/923681984.db2.gz OHAZOPLVFOFMPT-HNNXBMFYSA-N -1 1 414.483 4.140 20 30 HIEDMM CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000517615288 926724269 /nfs/dbraw/zinc/72/42/69/926724269.db2.gz YUQUECOPOLWGJH-UHFFFAOYSA-N -1 1 403.813 4.097 20 30 HIEDMM CSc1nc(C)c(CCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(=O)[n-]1 ZINC000517843976 926860711 /nfs/dbraw/zinc/86/07/11/926860711.db2.gz IBRJGVWTNYFPLN-UHFFFAOYSA-N -1 1 420.494 4.448 20 30 HIEDMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1 ZINC000518117617 927029704 /nfs/dbraw/zinc/02/97/04/927029704.db2.gz XTEBZIDIRNVLPL-UHFFFAOYSA-N -1 1 417.556 4.478 20 30 HIEDMM CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(=O)[n-]1 ZINC000519977637 928204053 /nfs/dbraw/zinc/20/40/53/928204053.db2.gz GYDQRZNISWFDMM-UHFFFAOYSA-N -1 1 420.494 4.448 20 30 HIEDMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC000520627497 928684096 /nfs/dbraw/zinc/68/40/96/928684096.db2.gz OIUKWFZXTJPVIB-UHFFFAOYSA-N -1 1 408.479 4.340 20 30 HIEDMM COc1ccc(COCc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2)cc1 ZINC000524851747 929857925 /nfs/dbraw/zinc/85/79/25/929857925.db2.gz BRIVUUYIFAVZOZ-UHFFFAOYSA-N -1 1 422.506 4.393 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(COCCc2ccccc2)c1 ZINC000524850986 929858086 /nfs/dbraw/zinc/85/80/86/929858086.db2.gz KDBAZRMUAPFVRD-UHFFFAOYSA-N -1 1 406.507 4.427 20 30 HIEDMM N#Cc1cccc(COc2cccc([N-]S(=O)(=O)c3ccc4ncccc4c3)c2)c1 ZINC000525007945 929970321 /nfs/dbraw/zinc/97/03/21/929970321.db2.gz OAPYXFHIHPHCQD-UHFFFAOYSA-N -1 1 415.474 4.486 20 30 HIEDMM C=C(C)[C@H](CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)OCC ZINC000535895425 933474790 /nfs/dbraw/zinc/47/47/90/933474790.db2.gz AULQKQYYPSQOAE-FQEVSTJZSA-N -1 1 402.516 4.106 20 30 HIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2COC(C)(C)CC)c1 ZINC000542740478 939858340 /nfs/dbraw/zinc/85/83/40/939858340.db2.gz WWJVDEAGNUNARJ-UHFFFAOYSA-N -1 1 416.543 4.108 20 30 HIEDMM N#C[C@H](C(=O)c1coc(C2CCCC2)n1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000549471898 941193430 /nfs/dbraw/zinc/19/34/30/941193430.db2.gz KZLACRLBQQJFCU-CYBMUJFWSA-N -1 1 408.483 4.411 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC(C)(C)CCC#N)ccc2C)cc1 ZINC000553752814 941959678 /nfs/dbraw/zinc/95/96/78/941959678.db2.gz XJQXQDSDNZNUEM-UHFFFAOYSA-N -1 1 413.543 4.164 20 30 HIEDMM CSc1nc(C)c(CCC(=O)N(Cc2ccccc2)c2ccccc2C#N)c(=O)[n-]1 ZINC000570071417 947085410 /nfs/dbraw/zinc/08/54/10/947085410.db2.gz OXTHXZFDZNGHHI-UHFFFAOYSA-N -1 1 418.522 4.250 20 30 HIEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(Oc2cccnc2)cc1 ZINC000574840845 948540682 /nfs/dbraw/zinc/54/06/82/948540682.db2.gz WLPGHQZWUKHIFS-ZDUSSCGKSA-N -1 1 415.421 4.063 20 30 HIEDMM N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC000015437028 846049516 /nfs/dbraw/zinc/04/95/16/846049516.db2.gz ZIGAJDCPOXCPGO-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM C#Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)c1 ZINC000022409119 846567118 /nfs/dbraw/zinc/56/71/18/846567118.db2.gz ZKZDUNSPKUXMMY-UHFFFAOYSA-N -1 1 408.454 4.169 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)n2)n[n-]c1=S ZINC000025682102 847019177 /nfs/dbraw/zinc/01/91/77/847019177.db2.gz OXAAIFHICOGLEK-HIFRSBDPSA-N -1 1 403.577 4.351 20 30 HIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(CS(C)(=O)=O)c3)n2)cc1 ZINC000041513018 848223530 /nfs/dbraw/zinc/22/35/30/848223530.db2.gz LGXHAXWGOHWWMO-SFHVURJKSA-N -1 1 410.520 4.153 20 30 HIEDMM N#Cc1ccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)c(F)c1 ZINC000436666383 861887617 /nfs/dbraw/zinc/88/76/17/861887617.db2.gz QSUGJZXTTKKUHU-UHFFFAOYSA-N -1 1 408.351 4.105 20 30 HIEDMM CCOc1cc(-c2noc(COc3ccccc3C#N)n2)cc(Br)c1[O-] ZINC000436765102 861953910 /nfs/dbraw/zinc/95/39/10/861953910.db2.gz AXBAMVLILZLGPX-UHFFFAOYSA-N -1 1 416.231 4.054 20 30 HIEDMM Cc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)n1C(C)C ZINC000047362010 849032613 /nfs/dbraw/zinc/03/26/13/849032613.db2.gz JTYHBEPWEVJMKD-INIZCTEOSA-N -1 1 408.527 4.353 20 30 HIEDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)cc1 ZINC000047991994 849148996 /nfs/dbraw/zinc/14/89/96/849148996.db2.gz RVMWVCBZANAZJL-UHFFFAOYSA-N -1 1 407.451 4.057 20 30 HIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000055639926 850086254 /nfs/dbraw/zinc/08/62/54/850086254.db2.gz BQTADEUWDVDRTE-UHFFFAOYSA-N -1 1 416.833 4.425 20 30 HIEDMM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000055664270 850103147 /nfs/dbraw/zinc/10/31/47/850103147.db2.gz DUJSQZFPSJYOIA-UHFFFAOYSA-N -1 1 403.463 4.004 20 30 HIEDMM Cc1nc(NC(=O)CCn2c(-c3cccs3)n[n-]c2=S)sc1SCC#N ZINC000108157100 852825912 /nfs/dbraw/zinc/82/59/12/852825912.db2.gz RLINSXUUBOUWRM-UHFFFAOYSA-N -1 1 422.586 4.079 20 30 HIEDMM N#CC(=C([O-])c1ccn(-c2cccc(Br)c2)n1)c1nc2ccccc2[nH]1 ZINC000303275925 854846980 /nfs/dbraw/zinc/84/69/80/854846980.db2.gz HKYFGSFEXRAYOV-AWEZNQCLSA-N -1 1 406.243 4.001 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000303803435 855208283 /nfs/dbraw/zinc/20/82/83/855208283.db2.gz HDJFXTBKYJMFSS-UHFFFAOYSA-N -1 1 406.467 4.312 20 30 HIEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000314568590 855375709 /nfs/dbraw/zinc/37/57/09/855375709.db2.gz UPRGIGRLWXHNEI-UHFFFAOYSA-N -1 1 406.088 4.428 20 30 HIEDMM Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n[nH]c1-c1ccccc1 ZINC000410332736 855934399 /nfs/dbraw/zinc/93/43/99/855934399.db2.gz MDMIKSZMLAGIOB-UHFFFAOYSA-N -1 1 406.389 4.076 20 30 HIEDMM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427127818 856656634 /nfs/dbraw/zinc/65/66/34/856656634.db2.gz HTTDFWASLIDLMJ-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)cc1F ZINC000427261156 856741407 /nfs/dbraw/zinc/74/14/07/856741407.db2.gz UVBIJHUYXAJXTD-UHFFFAOYSA-N -1 1 401.463 4.017 20 30 HIEDMM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1cccc(OC(F)(F)F)c1F ZINC000427331496 856776386 /nfs/dbraw/zinc/77/63/86/856776386.db2.gz ZDCCWSSSGBZPMJ-UHFFFAOYSA-N -1 1 419.274 4.266 20 30 HIEDMM C=C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000428044218 857053522 /nfs/dbraw/zinc/05/35/22/857053522.db2.gz JRHFPGOIQNBZEP-IBGZPJMESA-N -1 1 402.491 4.116 20 30 HIEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C)c(NC(=O)c4ccccc4)c3)nc1-2 ZINC000429577746 857762539 /nfs/dbraw/zinc/76/25/39/857762539.db2.gz GLSOIMAVUYLDQK-SFHVURJKSA-N -1 1 409.449 4.317 20 30 HIEDMM Cc1c(C#N)cccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000431859927 858843067 /nfs/dbraw/zinc/84/30/67/858843067.db2.gz OYKQKSHOIJQILA-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1Br ZINC000432771060 859351997 /nfs/dbraw/zinc/35/19/97/859351997.db2.gz VLHNKEUXQCFAPY-UHFFFAOYSA-N -1 1 419.222 4.226 20 30 HIEDMM CC(=Cc1ccc(Br)c(Br)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339591 860749258 /nfs/dbraw/zinc/74/92/58/860749258.db2.gz VXPUGITUNZNRSR-YVMONPNESA-N -1 1 409.081 4.036 20 30 HIEDMM N#C[C@H](C(=O)c1occc1Br)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000435481997 860814875 /nfs/dbraw/zinc/81/48/75/860814875.db2.gz UOIFCXHSVPHDIY-SECBINFHSA-N -1 1 418.272 4.121 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1C(F)(F)F ZINC000438766650 864262115 /nfs/dbraw/zinc/26/21/15/864262115.db2.gz NIFCENMUWIXHAD-UHFFFAOYSA-N -1 1 423.185 4.279 20 30 HIEDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)c2)n1 ZINC000467932078 881805180 /nfs/dbraw/zinc/80/51/80/881805180.db2.gz RPFKMUMURUZIMQ-UHFFFAOYSA-N -1 1 418.272 4.085 20 30 HIEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000440297588 865555958 /nfs/dbraw/zinc/55/59/58/865555958.db2.gz RRRMTRZIUZISFD-CQSZACIVSA-N -1 1 402.541 4.453 20 30 HIEDMM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1-n1cncn1 ZINC000442876145 867709342 /nfs/dbraw/zinc/70/93/42/867709342.db2.gz UTLXPGSVQZEBPX-GOSISDBHSA-N -1 1 410.462 4.061 20 30 HIEDMM Cc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)oc1-c1ccc(Cl)cc1 ZINC000443360761 867927632 /nfs/dbraw/zinc/92/76/32/867927632.db2.gz SQPXVKWFXZEAAS-UHFFFAOYSA-N -1 1 422.293 4.307 20 30 HIEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000443374413 867936093 /nfs/dbraw/zinc/93/60/93/867936093.db2.gz ZGSVJXJRLQSIDY-UHFFFAOYSA-N -1 1 419.222 4.226 20 30 HIEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1OC(C)C ZINC000443404114 867984317 /nfs/dbraw/zinc/98/43/17/867984317.db2.gz DDDYWEFOUJBYDG-UHFFFAOYSA-N -1 1 414.405 4.174 20 30 HIEDMM N#C[C@@H](C(=O)c1noc2c1CCCCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000444448278 868832164 /nfs/dbraw/zinc/83/21/64/868832164.db2.gz BVZDHMFKIOXSGR-ZDUSSCGKSA-N -1 1 408.483 4.023 20 30 HIEDMM COc1cc(-c2noc([C@@H](C)Oc3ccc(C#N)cc3)n2)cc(Br)c1[O-] ZINC000445394098 869480024 /nfs/dbraw/zinc/48/00/24/869480024.db2.gz SFIAGPKCRMXOLF-SNVBAGLBSA-N -1 1 416.231 4.225 20 30 HIEDMM C=C(C)Cn1c(SCc2nc(-c3ccc([O-])c(F)c3)no2)nnc1-c1ccco1 ZINC000445479042 869551758 /nfs/dbraw/zinc/55/17/58/869551758.db2.gz UQNUALBLYGYDIA-UHFFFAOYSA-N -1 1 413.434 4.301 20 30 HIEDMM O=S(=O)([N-][C@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(OC(F)F)c(F)c1 ZINC000447824319 871754211 /nfs/dbraw/zinc/75/42/11/871754211.db2.gz ZBMMXCKQTHOIHH-CYBMUJFWSA-N -1 1 417.302 4.148 20 30 HIEDMM CCNc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000469941953 884139690 /nfs/dbraw/zinc/13/96/90/884139690.db2.gz SFQFGZSBMRONNP-UHFFFAOYSA-N -1 1 420.494 4.043 20 30 HIEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000470595684 885018890 /nfs/dbraw/zinc/01/88/90/885018890.db2.gz XFQLQWXDKLKPPE-UHFFFAOYSA-N -1 1 421.545 4.100 20 30 HIEDMM CCc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1[N+](=O)[O-] ZINC000473946202 888821696 /nfs/dbraw/zinc/82/16/96/888821696.db2.gz GVYTYHJEEDIIMO-CQSZACIVSA-N -1 1 422.466 4.236 20 30 HIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cc(Br)c3c(c2)OCCO3)n1 ZINC000474449064 889315804 /nfs/dbraw/zinc/31/58/04/889315804.db2.gz TXQRQJQSDXLSOK-NSHDSACASA-N -1 1 407.289 4.290 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000475785061 890726790 /nfs/dbraw/zinc/72/67/90/890726790.db2.gz GYKZUFZKFHKMJP-UHFFFAOYSA-N -1 1 407.426 4.357 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000475789734 890729768 /nfs/dbraw/zinc/72/97/68/890729768.db2.gz MRHSNEPOAHZMGG-UHFFFAOYSA-N -1 1 415.490 4.211 20 30 HIEDMM N#CCc1ccc(OCc2cccc([N-]S(=O)(=O)c3ccccc3CC#N)c2)cc1 ZINC000475793427 890732560 /nfs/dbraw/zinc/73/25/60/890732560.db2.gz FBZCNZPTIANJRD-UHFFFAOYSA-N -1 1 417.490 4.199 20 30 HIEDMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cccc(C#N)c3C)ccc2s1 ZINC000475803717 890738638 /nfs/dbraw/zinc/73/86/38/890738638.db2.gz AIIOHBZQHCBICK-UHFFFAOYSA-N -1 1 400.481 4.059 20 30 HIEDMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1Cl)C(C)C ZINC000475808343 890742711 /nfs/dbraw/zinc/74/27/11/890742711.db2.gz SSCJMBXYTRLDLZ-UHFFFAOYSA-N -1 1 419.934 4.077 20 30 HIEDMM C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000476149197 891073178 /nfs/dbraw/zinc/07/31/78/891073178.db2.gz MPRKVEMNDLWFOE-UHFFFAOYSA-N -1 1 404.532 4.461 20 30 HIEDMM CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000476301840 891214431 /nfs/dbraw/zinc/21/44/31/891214431.db2.gz BCXBUXHUKLVCJQ-SNVBAGLBSA-N -1 1 409.842 4.117 20 30 HIEDMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SCCC#N ZINC000476398017 891315231 /nfs/dbraw/zinc/31/52/31/891315231.db2.gz CTJBAMWBIOTVKW-UHFFFAOYSA-N -1 1 410.904 4.153 20 30 HIEDMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000481136132 896463171 /nfs/dbraw/zinc/46/31/71/896463171.db2.gz GKDZIUHFOIEUMX-UHFFFAOYSA-N -1 1 405.907 4.306 20 30 HIEDMM CCCN(CCC)C(=O)c1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000483208920 898859689 /nfs/dbraw/zinc/85/96/89/898859689.db2.gz BAPLLVBVWIDEKM-IBGZPJMESA-N -1 1 400.482 4.382 20 30 HIEDMM N#CC(=C([O-])c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cnc2ccccc2n1 ZINC000483228709 898872170 /nfs/dbraw/zinc/87/21/70/898872170.db2.gz MTJIHOTXNHAMPQ-CYBMUJFWSA-N -1 1 409.327 4.189 20 30 HIEDMM Cc1c(I)cccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483232839 898875793 /nfs/dbraw/zinc/87/57/93/898875793.db2.gz HUJYVWRFYQFWJM-ZDUSSCGKSA-N -1 1 413.218 4.033 20 30 HIEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000485815185 901063955 /nfs/dbraw/zinc/06/39/55/901063955.db2.gz MKEJWRIAZYAEKJ-UHFFFAOYSA-N -1 1 407.495 4.462 20 30 HIEDMM CC(C)[C@H](O)C(=O)[N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000487028912 902028109 /nfs/dbraw/zinc/02/81/09/902028109.db2.gz HEIRJDLUSWSBMP-WDEREUQCSA-N -1 1 411.264 4.461 20 30 HIEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000488225933 902705337 /nfs/dbraw/zinc/70/53/37/902705337.db2.gz FKGIILSUQVFJJO-UHFFFAOYSA-N -1 1 418.824 4.075 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c(Cl)c1 ZINC000494439961 905722601 /nfs/dbraw/zinc/72/26/01/905722601.db2.gz MYFSIFIXQBQJGX-UHFFFAOYSA-N -1 1 407.623 4.053 20 30 HIEDMM C=CCn1c(SCc2nn[n-]n2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000497229941 906822714 /nfs/dbraw/zinc/82/27/14/906822714.db2.gz OSXTXNXOOPPEKQ-CYBMUJFWSA-N -1 1 415.592 4.149 20 30 HIEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cnc1N1CCCC[C@H]1C ZINC000502425628 911404131 /nfs/dbraw/zinc/40/41/31/911404131.db2.gz PGSZQYSVWNUAOE-CQSZACIVSA-N -1 1 404.923 4.095 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(COCC(F)(F)C(F)F)c1 ZINC000513357529 921735402 /nfs/dbraw/zinc/73/54/02/921735402.db2.gz MWPGEBLQDAYLMU-UHFFFAOYSA-N -1 1 416.396 4.085 20 30 HIEDMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1Cl ZINC000513363574 921738078 /nfs/dbraw/zinc/73/80/78/921738078.db2.gz JZWXCFJNGAOKGD-UHFFFAOYSA-N -1 1 419.934 4.239 20 30 HIEDMM C=C(C)CCc1noc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)n1 ZINC000508616444 917385018 /nfs/dbraw/zinc/38/50/18/917385018.db2.gz VDWNGXDCMGTCLR-UHFFFAOYSA-N -1 1 405.426 4.324 20 30 HIEDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccc(CC#N)cc2)c(C)c1 ZINC000511128225 919742089 /nfs/dbraw/zinc/74/20/89/919742089.db2.gz AZDKQAHAQRETGZ-UHFFFAOYSA-N -1 1 422.506 4.450 20 30 HIEDMM N#C[C@@H](C(=O)c1ccc(-c2cnco2)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000511347596 919940573 /nfs/dbraw/zinc/94/05/73/919940573.db2.gz WIYXVLOFHHPFAY-HNNXBMFYSA-N -1 1 416.462 4.421 20 30 HIEDMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CC#N)ccc2C)cc1 ZINC000512110922 920867036 /nfs/dbraw/zinc/86/70/36/920867036.db2.gz AHDACRPNNUUPEA-QGZVFWFLSA-N -1 1 413.543 4.170 20 30 HIEDMM N#C[C@@H](C(=O)c1ccc(C(F)(F)F)nc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000513654871 921975788 /nfs/dbraw/zinc/97/57/88/921975788.db2.gz NJOLHXZXMJZGGC-NSHDSACASA-N -1 1 418.400 4.180 20 30 HIEDMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)cc1OC ZINC000517925057 926892322 /nfs/dbraw/zinc/89/23/22/926892322.db2.gz OXSRFDZWRMFVME-UHFFFAOYSA-N -1 1 424.478 4.477 20 30 HIEDMM CC(=Cc1cc(Br)cc(Br)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000519852463 928096916 /nfs/dbraw/zinc/09/69/16/928096916.db2.gz YUKUJUZJCKWKLI-BAQGIRSFSA-N -1 1 409.081 4.036 20 30 HIEDMM CCN(CC#N)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC000520112373 928319397 /nfs/dbraw/zinc/31/93/97/928319397.db2.gz FWDKNELKMKPIGY-UHFFFAOYSA-N -1 1 413.543 4.079 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cn2cnc3ccccc32)cc1 ZINC000525435331 930238136 /nfs/dbraw/zinc/23/81/36/930238136.db2.gz XOOYAQPEAUAESH-UHFFFAOYSA-N -1 1 402.479 4.066 20 30 HIEDMM C=CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525582211 930344391 /nfs/dbraw/zinc/34/43/91/930344391.db2.gz LBAYJAPSCOZRMW-UHFFFAOYSA-N -1 1 408.479 4.305 20 30 HIEDMM C=C(C)[C@H](CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)OCC ZINC000533680444 931966607 /nfs/dbraw/zinc/96/66/07/931966607.db2.gz RJQOFRNUJJFYSG-IBGZPJMESA-N -1 1 422.934 4.451 20 30 HIEDMM N#C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000538896824 938732847 /nfs/dbraw/zinc/73/28/47/938732847.db2.gz ZFYKKSPYCPGAKF-CYBMUJFWSA-N -1 1 408.323 4.267 20 30 HIEDMM CCC[C@H](C#N)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000539842000 938954848 /nfs/dbraw/zinc/95/48/48/938954848.db2.gz YTFUHVNXQAFLDR-CYBMUJFWSA-N -1 1 406.269 4.373 20 30 HIEDMM N#CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000543312707 940025845 /nfs/dbraw/zinc/02/58/45/940025845.db2.gz ODBSYHXQUNEPFC-UHFFFAOYSA-N -1 1 419.506 4.188 20 30 HIEDMM CCOc1cc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000547270341 941049607 /nfs/dbraw/zinc/04/96/07/941049607.db2.gz UEOJYMDKXOOXDA-CQSZACIVSA-N -1 1 414.767 4.338 20 30 HIEDMM N#Cc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1Cl ZINC000547975899 941081831 /nfs/dbraw/zinc/08/18/31/941081831.db2.gz UYTUDXIYOPEIDE-CYBMUJFWSA-N -1 1 408.870 4.291 20 30 HIEDMM CC(C)c1noc(Cc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)n1 ZINC000549548566 941199067 /nfs/dbraw/zinc/19/90/67/941199067.db2.gz DDNSWRQSPGMMNE-UHFFFAOYSA-N -1 1 416.890 4.110 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2Cl)c2cc(F)ccc2F)o1 ZINC000557824315 943304478 /nfs/dbraw/zinc/30/44/78/943304478.db2.gz ZVMNHJCCUZWSJU-GOSISDBHSA-N -1 1 408.813 4.151 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3CC#N)cc2)cc1C ZINC000559250563 943885857 /nfs/dbraw/zinc/88/58/57/943885857.db2.gz BJMOMCRSADBKIT-UHFFFAOYSA-N -1 1 419.506 4.423 20 30 HIEDMM N#CC(=C([O-])c1cn2ccc(Br)cc2n1)c1nc(-c2ccncc2)cs1 ZINC000561316131 944548177 /nfs/dbraw/zinc/54/81/77/944548177.db2.gz ZBKWTSZFOONOHU-ZDUSSCGKSA-N -1 1 424.283 4.105 20 30 HIEDMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000436029247 861321205 /nfs/dbraw/zinc/32/12/05/861321205.db2.gz XHMGPINVZVIPAG-UHFFFAOYSA-N -1 1 402.419 4.022 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)ccc1F ZINC000015028944 846001873 /nfs/dbraw/zinc/00/18/73/846001873.db2.gz BELVXWGPUPHYIQ-UHFFFAOYSA-N -1 1 423.469 4.253 20 30 HIEDMM C=CCC(C)(C)c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)n1 ZINC000436537670 861841645 /nfs/dbraw/zinc/84/16/45/861841645.db2.gz ICXIGCIKSHJQKM-UHFFFAOYSA-N -1 1 405.501 4.158 20 30 HIEDMM C[C@@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1ccc(C#N)cc1 ZINC000436722236 861908752 /nfs/dbraw/zinc/90/87/52/861908752.db2.gz NPQVNBAWIYVPQV-CYBMUJFWSA-N -1 1 421.403 4.285 20 30 HIEDMM C=CCOc1ccccc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047119200 848987126 /nfs/dbraw/zinc/98/71/26/848987126.db2.gz RFBFOGULPXNRMG-UHFFFAOYSA-N -1 1 408.479 4.305 20 30 HIEDMM N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000047650998 849089426 /nfs/dbraw/zinc/08/94/26/849089426.db2.gz XWIGUTWUVJWEBZ-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM N#CC(=C([O-])c1ccc(C(N)=O)cc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000051559388 849485021 /nfs/dbraw/zinc/48/50/21/849485021.db2.gz XXUGEONBONDAEF-MRJKMQNQSA-N -1 1 405.523 4.200 20 30 HIEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000056408996 850352109 /nfs/dbraw/zinc/35/21/09/850352109.db2.gz BPQAWNYIHGTRIP-AWEZNQCLSA-N -1 1 419.934 4.071 20 30 HIEDMM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000437000379 862175221 /nfs/dbraw/zinc/17/52/21/862175221.db2.gz UCZWZBJCCYUQNV-NRFANRHFSA-N -1 1 405.885 4.221 20 30 HIEDMM CCOc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1OC ZINC000060488475 851117391 /nfs/dbraw/zinc/11/73/91/851117391.db2.gz RPYZBVRIENQJFW-CQSZACIVSA-N -1 1 423.494 4.173 20 30 HIEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cc1C#N ZINC000063096824 851616293 /nfs/dbraw/zinc/61/62/93/851616293.db2.gz GCUJWVPDPVKEPY-UHFFFAOYSA-N -1 1 419.441 4.315 20 30 HIEDMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000063634904 851730539 /nfs/dbraw/zinc/73/05/39/851730539.db2.gz ONOKINZLBKOEEV-UHFFFAOYSA-N -1 1 422.934 4.346 20 30 HIEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000064070274 851824228 /nfs/dbraw/zinc/82/42/28/851824228.db2.gz UKOIZRXAKQMFHH-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM C=CCN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000109352741 852957555 /nfs/dbraw/zinc/95/75/55/852957555.db2.gz CGTSRICCYRHIDO-UHFFFAOYSA-N -1 1 420.534 4.358 20 30 HIEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000138827137 853396816 /nfs/dbraw/zinc/39/68/16/853396816.db2.gz TUKPKWIMKYPFIS-LBPRGKRZSA-N -1 1 417.277 4.473 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3cnn(C(C)(C)C)c3C)nc2C)n[n-]c1=S ZINC000195595725 853704764 /nfs/dbraw/zinc/70/47/64/853704764.db2.gz QZHDGROHYUYSBL-UHFFFAOYSA-N -1 1 417.564 4.071 20 30 HIEDMM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000317919359 855381597 /nfs/dbraw/zinc/38/15/97/855381597.db2.gz JWZPFRIDCLSUBC-UHFFFAOYSA-N -1 1 403.660 4.223 20 30 HIEDMM Cc1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c(Cl)cc1Cl ZINC000410350492 855943846 /nfs/dbraw/zinc/94/38/46/855943846.db2.gz FLNWVADOACPSNX-UHFFFAOYSA-N -1 1 410.204 4.388 20 30 HIEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000427037842 856606183 /nfs/dbraw/zinc/60/61/83/856606183.db2.gz XPHVWLPJFRIMKD-UHFFFAOYSA-N -1 1 403.442 4.099 20 30 HIEDMM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000437639531 862968352 /nfs/dbraw/zinc/96/83/52/862968352.db2.gz VKOQDWDJEWYDCQ-QFIPXVFZSA-N -1 1 416.543 4.272 20 30 HIEDMM C=C[C@@](C)(CCOC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000437643970 862973118 /nfs/dbraw/zinc/97/31/18/862973118.db2.gz DBNFFJXLONUINM-FQEVSTJZSA-N -1 1 422.934 4.308 20 30 HIEDMM O=S(=O)([N-][C@@H](c1cc(F)ccc1F)C(F)F)c1ccc(F)cc1C(F)(F)F ZINC000432963902 859451971 /nfs/dbraw/zinc/45/19/71/859451971.db2.gz ASFVPKLQUJAUCW-ZDUSSCGKSA-N -1 1 419.293 4.407 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)sc2Cl)c(Cl)c1 ZINC000433599360 859804189 /nfs/dbraw/zinc/80/41/89/859804189.db2.gz LHXNPXFZZXTDQW-UHFFFAOYSA-N -1 1 412.117 4.490 20 30 HIEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1C#N ZINC000435143077 860662838 /nfs/dbraw/zinc/66/28/38/860662838.db2.gz ZRFDNQZDMFVXOJ-UHFFFAOYSA-N -1 1 413.268 4.048 20 30 HIEDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)c2)o1 ZINC000435164535 860673308 /nfs/dbraw/zinc/67/33/08/860673308.db2.gz FRJFKBDGJQPMHW-UHFFFAOYSA-N -1 1 407.373 4.341 20 30 HIEDMM Cc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000438899887 864380857 /nfs/dbraw/zinc/38/08/57/864380857.db2.gz DMNLAXSDXIHUGJ-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM C=C[C@@](C)(CC)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000443136360 867836158 /nfs/dbraw/zinc/83/61/58/867836158.db2.gz ZDSFAISWGBUTOE-IBGZPJMESA-N -1 1 408.907 4.387 20 30 HIEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC000443364601 867928807 /nfs/dbraw/zinc/92/88/07/867928807.db2.gz PGXRQJBBABMGHM-UHFFFAOYSA-N -1 1 419.222 4.226 20 30 HIEDMM CC(C)OCc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000443369052 867932554 /nfs/dbraw/zinc/93/25/54/867932554.db2.gz GSQLZOWVZTZXLF-UHFFFAOYSA-N -1 1 409.305 4.047 20 30 HIEDMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443406078 867987987 /nfs/dbraw/zinc/98/79/87/867987987.db2.gz ZCFMOCXFWBFNEQ-UHFFFAOYSA-N -1 1 423.416 4.035 20 30 HIEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1C#N ZINC000443406939 867988188 /nfs/dbraw/zinc/98/81/88/867988188.db2.gz BRLVFOTZGRTXIR-UHFFFAOYSA-N -1 1 409.389 4.037 20 30 HIEDMM C=C(C)C[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000468333403 882267529 /nfs/dbraw/zinc/26/75/29/882267529.db2.gz YBEALOYCDROJOT-ZDUSSCGKSA-N -1 1 408.907 4.387 20 30 HIEDMM COc1cc(-c2noc([C@@H](C)Oc3ccccc3C#N)n2)cc(Br)c1[O-] ZINC000445399539 869485794 /nfs/dbraw/zinc/48/57/94/869485794.db2.gz BMXMACMDBNPJSN-SNVBAGLBSA-N -1 1 416.231 4.225 20 30 HIEDMM COc1cc(-c2noc(CSc3ccc(C#N)cc3)n2)cc(Br)c1[O-] ZINC000445406133 869490309 /nfs/dbraw/zinc/49/03/09/869490309.db2.gz WGQWRLHSVYEFSO-UHFFFAOYSA-N -1 1 418.272 4.377 20 30 HIEDMM COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc(C#N)c([O-])c3)C2)n1 ZINC000446790880 870709662 /nfs/dbraw/zinc/70/96/62/870709662.db2.gz DCYFDRVFXQIJQK-QGZVFWFLSA-N -1 1 419.506 4.416 20 30 HIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000462100693 875210241 /nfs/dbraw/zinc/21/02/41/875210241.db2.gz HIZNQLGGRZRGSB-UHFFFAOYSA-N -1 1 408.321 4.252 20 30 HIEDMM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccc(C#N)c1 ZINC000462255839 875378246 /nfs/dbraw/zinc/37/82/46/875378246.db2.gz KOZFUNFDOHLMDO-MRXNPFEDSA-N -1 1 405.479 4.101 20 30 HIEDMM C=C(C)C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000466630160 880403327 /nfs/dbraw/zinc/40/33/27/880403327.db2.gz WMHCVMKDDDMXEO-OAHLLOKOSA-N -1 1 418.515 4.045 20 30 HIEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1cc(F)ccc1C#N ZINC000469108624 883201546 /nfs/dbraw/zinc/20/15/46/883201546.db2.gz YMUTWUYQRGCHCA-UHFFFAOYSA-N -1 1 409.486 4.130 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 ZINC000503842400 912838590 /nfs/dbraw/zinc/83/85/90/912838590.db2.gz CYWPIAHMKVOWIA-AWEZNQCLSA-N -1 1 408.323 4.159 20 30 HIEDMM O=C([N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471082847 885609643 /nfs/dbraw/zinc/60/96/43/885609643.db2.gz KPOFKPNVLWWPPB-CABZTGNLSA-N -1 1 422.291 4.309 20 30 HIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000473778991 888582132 /nfs/dbraw/zinc/58/21/32/888582132.db2.gz XLASJKSEEMJBOM-UHFFFAOYSA-N -1 1 407.557 4.051 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(Br)c(C(F)(F)F)c1 ZINC000475792622 890731687 /nfs/dbraw/zinc/73/16/87/890731687.db2.gz CHAQWKNUNOMTJM-UHFFFAOYSA-N -1 1 419.222 4.335 20 30 HIEDMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)ccc2s1 ZINC000475796331 890732638 /nfs/dbraw/zinc/73/26/38/890732638.db2.gz LPJJBYYZWJROCV-UHFFFAOYSA-N -1 1 400.481 4.059 20 30 HIEDMM Cc1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)oc1-c1ccc(Cl)cc1 ZINC000476342063 891247362 /nfs/dbraw/zinc/24/73/62/891247362.db2.gz MGKLQSIEHDSBNC-UHFFFAOYSA-N -1 1 422.293 4.307 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)cc1Cl ZINC000476414004 891328471 /nfs/dbraw/zinc/32/84/71/891328471.db2.gz LSHWPWHNGNFXTB-UHFFFAOYSA-N -1 1 417.849 4.126 20 30 HIEDMM CC[C@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1C ZINC000482551805 898141880 /nfs/dbraw/zinc/14/18/80/898141880.db2.gz DMYVQENUUKKAOI-SMDDNHRTSA-N -1 1 409.515 4.242 20 30 HIEDMM N#CC(=C([O-])c1cccc(N2CCCNC2=O)c1)c1nc(-c2ccccc2)cs1 ZINC000484544830 900026928 /nfs/dbraw/zinc/02/69/28/900026928.db2.gz LVSOVFDRVJJPNH-SFHVURJKSA-N -1 1 402.479 4.220 20 30 HIEDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2C)c1 ZINC000486494691 901647243 /nfs/dbraw/zinc/64/72/43/901647243.db2.gz NGJUREOIOBXUCL-UHFFFAOYSA-N -1 1 424.478 4.477 20 30 HIEDMM C=C(CNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000490684831 904172916 /nfs/dbraw/zinc/17/29/16/904172916.db2.gz PWXLUEXTPFAFJS-UHFFFAOYSA-N -1 1 421.522 4.000 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000513377777 921751031 /nfs/dbraw/zinc/75/10/31/921751031.db2.gz MXCDNPDGBMJNQA-UHFFFAOYSA-N -1 1 406.467 4.312 20 30 HIEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)ccc1C ZINC000506640358 915308378 /nfs/dbraw/zinc/30/83/78/915308378.db2.gz YDZCFCKNMHLHLO-OAHLLOKOSA-N -1 1 418.540 4.367 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(Cl)c1 ZINC000513417333 921785729 /nfs/dbraw/zinc/78/57/29/921785729.db2.gz YWJGVGRVEHFPLV-UHFFFAOYSA-N -1 1 413.886 4.295 20 30 HIEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000507889224 916737207 /nfs/dbraw/zinc/73/72/07/916737207.db2.gz OGFBXXZOCVEJRK-UHFFFAOYSA-N -1 1 419.673 4.106 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1Cl ZINC000508110918 916928259 /nfs/dbraw/zinc/92/82/59/916928259.db2.gz RWLKIISTBFSDJB-INIZCTEOSA-N -1 1 413.808 4.275 20 30 HIEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000509380407 918047086 /nfs/dbraw/zinc/04/70/86/918047086.db2.gz WJJWTQBLXQEBOK-UHFFFAOYSA-N -1 1 401.285 4.469 20 30 HIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000513655235 921976457 /nfs/dbraw/zinc/97/64/57/921976457.db2.gz PFLMOFZMBHGZPA-CQSZACIVSA-N -1 1 420.270 4.216 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1Cl ZINC000515837709 923384620 /nfs/dbraw/zinc/38/46/20/923384620.db2.gz IMYHJWIMRYWLAJ-UHFFFAOYSA-N -1 1 408.917 4.015 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C[S@@](C)=O)c3)n2)cc1 ZINC000516270030 923638518 /nfs/dbraw/zinc/63/85/18/923638518.db2.gz KTZDUNGWVZCBJP-XDBZFTIUSA-N -1 1 410.520 4.187 20 30 HIEDMM CCCOc1c(Cl)cc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cc1OC ZINC000516794513 923889870 /nfs/dbraw/zinc/88/98/70/923889870.db2.gz FQXLIABKGWWWQG-GFCCVEGCSA-N -1 1 422.890 4.261 20 30 HIEDMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000519122822 927790608 /nfs/dbraw/zinc/79/06/08/927790608.db2.gz ZJLAIGWCIWSCSD-UHFFFAOYSA-N -1 1 421.478 4.283 20 30 HIEDMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 ZINC000520558921 928640169 /nfs/dbraw/zinc/64/01/69/928640169.db2.gz YCSUAWYLAFKIFC-UHFFFAOYSA-N -1 1 421.478 4.283 20 30 HIEDMM COc1ccc(COCc2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)cc1 ZINC000520700873 928747047 /nfs/dbraw/zinc/74/70/47/928747047.db2.gz ZVQWIIMFCWVOOD-UHFFFAOYSA-N -1 1 408.479 4.084 20 30 HIEDMM N#CC(=C([O-])c1cccc(OCC(F)(F)F)n1)c1nc2ccccc2n1C(F)F ZINC000524810270 929839170 /nfs/dbraw/zinc/83/91/70/929839170.db2.gz SQQNNKSNXWMLAQ-SNVBAGLBSA-N -1 1 410.302 4.258 20 30 HIEDMM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc2s1 ZINC000525367106 930199238 /nfs/dbraw/zinc/19/92/38/930199238.db2.gz LBSWAPNJSKSYBS-UHFFFAOYSA-N -1 1 414.512 4.016 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1COc1ccc(CC#N)cc1 ZINC000525367134 930199244 /nfs/dbraw/zinc/19/92/44/930199244.db2.gz MEMCZQUQKWUEJE-UHFFFAOYSA-N -1 1 417.490 4.313 20 30 HIEDMM N#Cc1cccc(COc2ccc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)cc2)c1 ZINC000525534288 930308554 /nfs/dbraw/zinc/30/85/54/930308554.db2.gz URBLWSMARARXTP-UHFFFAOYSA-N -1 1 418.396 4.355 20 30 HIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000525751206 930429560 /nfs/dbraw/zinc/42/95/60/930429560.db2.gz YKJHNVCZSQARJS-UHFFFAOYSA-N -1 1 414.531 4.166 20 30 HIEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000541302731 939490121 /nfs/dbraw/zinc/49/01/21/939490121.db2.gz CRJOKTAOJZXZOE-CYBMUJFWSA-N -1 1 412.483 4.383 20 30 HIEDMM N#Cc1ccc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1[O-] ZINC000552762353 941755318 /nfs/dbraw/zinc/75/53/18/941755318.db2.gz BFFYJKXTPPIFHW-IBGZPJMESA-N -1 1 404.388 4.180 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(C)(C)CCC#N)cc2)c1C ZINC000557999307 943350203 /nfs/dbraw/zinc/35/02/03/943350203.db2.gz DJHVZYYQUDMYHW-UHFFFAOYSA-N -1 1 413.543 4.164 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3CC#N)c2)cc1 ZINC000558015185 943355735 /nfs/dbraw/zinc/35/57/35/943355735.db2.gz CUAQRVWHBXUBNN-UHFFFAOYSA-N -1 1 405.479 4.114 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C#N)c3)cc2)cc1C ZINC000010897066 845723905 /nfs/dbraw/zinc/72/39/05/845723905.db2.gz PAJQDLFNJOPDFT-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM N#Cc1ccccc1C=CC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000011184980 845763896 /nfs/dbraw/zinc/76/38/96/845763896.db2.gz LTPOASGDVLHUBQ-ZHACJKMWSA-N -1 1 413.458 4.280 20 30 HIEDMM COC(=O)c1ccc([O-])c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 ZINC000436513960 861831108 /nfs/dbraw/zinc/83/11/08/861831108.db2.gz OAHRKYGOYZGIJN-UHFFFAOYSA-N -1 1 404.447 4.454 20 30 HIEDMM N#CC1(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCC1 ZINC000436550969 861848057 /nfs/dbraw/zinc/84/80/57/861848057.db2.gz KOSWEKPSMAFWBD-UHFFFAOYSA-N -1 1 404.253 4.127 20 30 HIEDMM CCN(C(=O)c1cc(I)ccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000436670770 861889218 /nfs/dbraw/zinc/88/92/18/861889218.db2.gz HIDPQDIEBGRXMB-LBPRGKRZSA-N -1 1 420.250 4.092 20 30 HIEDMM COCCOc1ccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)cc1OC ZINC000044027585 848503569 /nfs/dbraw/zinc/50/35/69/848503569.db2.gz HMHRKSTXCSEFPM-UTCJRWHESA-N -1 1 407.260 4.085 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)CCC(=O)c3cccs3)nc2C)n[n-]c1=S ZINC000045886743 848746144 /nfs/dbraw/zinc/74/61/44/848746144.db2.gz ZTXNDGNLTJAOEG-UHFFFAOYSA-N -1 1 419.557 4.222 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436758598 861946920 /nfs/dbraw/zinc/94/69/20/861946920.db2.gz ZDLLAKCTZDTAPN-UHFFFAOYSA-N -1 1 415.287 4.221 20 30 HIEDMM N#CC(=C([O-])c1cccc(I)c1)c1nc2ccccc2s1 ZINC000046441559 848848983 /nfs/dbraw/zinc/84/89/83/848848983.db2.gz XUVZAESLMRLWDM-LBPRGKRZSA-N -1 1 404.232 4.391 20 30 HIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Cl)c(I)c2)n1 ZINC000048520441 849237927 /nfs/dbraw/zinc/23/79/27/849237927.db2.gz BAJMXSNSPBOUPK-VIFPVBQESA-N -1 1 402.644 4.200 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(F)c(NC(C)=O)c3)n2)cc1 ZINC000060043628 851034283 /nfs/dbraw/zinc/03/42/83/851034283.db2.gz UMUUCTURHWWEKY-MRXNPFEDSA-N -1 1 409.442 4.406 20 30 HIEDMM N#CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CC1 ZINC000061637287 851418239 /nfs/dbraw/zinc/41/82/39/851418239.db2.gz KAWXTYHDVCJFBE-UHFFFAOYSA-N -1 1 418.280 4.327 20 30 HIEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000063878437 851783764 /nfs/dbraw/zinc/78/37/64/851783764.db2.gz VZEDMNVWOUUIHH-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM Cc1ccc(C#N)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000064070334 851824392 /nfs/dbraw/zinc/82/43/92/851824392.db2.gz AZPLVUJFZPXYQJ-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)c3cccc(C#N)c3)cc2)cc1C ZINC000064320781 851870297 /nfs/dbraw/zinc/87/02/97/851870297.db2.gz JWOCVFSWMBBLQE-UHFFFAOYSA-N -1 1 419.506 4.253 20 30 HIEDMM C=CCOc1cccc(NC(=O)CCn2c(-c3ccc(OC)cc3)n[n-]c2=S)c1 ZINC000108868742 852888021 /nfs/dbraw/zinc/88/80/21/852888021.db2.gz XYLFFDYAGTUKET-UHFFFAOYSA-N -1 1 410.499 4.210 20 30 HIEDMM C=CCN(CCc1ccccc1)C(=O)CCn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000109361294 852959186 /nfs/dbraw/zinc/95/91/86/852959186.db2.gz VNLPVAVFTVNQOY-UHFFFAOYSA-N -1 1 422.554 4.264 20 30 HIEDMM C=C1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2Cl)CC1 ZINC000111175522 853216689 /nfs/dbraw/zinc/21/66/89/853216689.db2.gz LXWGCCCMEPENBG-UHFFFAOYSA-N -1 1 404.919 4.241 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3cc(Cl)ccc3OC)nc2C)n[n-]c1=S ZINC000111200673 853221535 /nfs/dbraw/zinc/22/15/35/853221535.db2.gz SQTFJPBBCJPVLJ-UHFFFAOYSA-N -1 1 421.935 4.473 20 30 HIEDMM COc1cccc(CCC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000302906874 854675514 /nfs/dbraw/zinc/67/55/14/854675514.db2.gz CYLYCWKRYKWCTP-INIZCTEOSA-N -1 1 407.495 4.093 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)cc1Cl ZINC000409867229 855695739 /nfs/dbraw/zinc/69/57/39/855695739.db2.gz OZFRQKHRXKRQHN-UHFFFAOYSA-N -1 1 417.918 4.075 20 30 HIEDMM N#C[C@@H](C(=O)c1cnc2c(F)cccc2c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000429674281 857830452 /nfs/dbraw/zinc/83/04/52/857830452.db2.gz KEHVFFUEYWRQGH-AWEZNQCLSA-N -1 1 418.453 4.453 20 30 HIEDMM N#Cc1ccc(C(=O)[N-]c2nnc(SCc3c(Cl)cccc3Cl)s2)o1 ZINC000431396703 858594285 /nfs/dbraw/zinc/59/42/85/858594285.db2.gz PSJAEFHVPAHJRH-UHFFFAOYSA-N -1 1 411.295 4.854 20 30 HIEDMM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c(Cl)cc1Cl ZINC000432957413 859448821 /nfs/dbraw/zinc/44/88/21/859448821.db2.gz BRFXCBUHJOAHAH-UHFFFAOYSA-N -1 1 421.103 4.132 20 30 HIEDMM CC(=Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339461 860749171 /nfs/dbraw/zinc/74/91/71/860749171.db2.gz UEMWNIJNOKTRJI-DYLHUKMJSA-N -1 1 417.309 4.383 20 30 HIEDMM C=CCC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC000435754439 861033220 /nfs/dbraw/zinc/03/32/20/861033220.db2.gz WWOVCFNTVQRROT-OAQYLSRUSA-N -1 1 402.498 4.309 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438728920 864211717 /nfs/dbraw/zinc/21/17/17/864211717.db2.gz VHXYXKNUISOSLQ-UHFFFAOYSA-N -1 1 407.426 4.471 20 30 HIEDMM Cc1nsc([N-]C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1C#N ZINC000439289739 864711141 /nfs/dbraw/zinc/71/11/41/864711141.db2.gz OSQLHIRRUDIWHL-UHFFFAOYSA-N -1 1 410.459 4.024 20 30 HIEDMM N#CC(=C([O-])c1ccc(Cl)c(N2CCNC2=O)c1)c1nc(-c2ccccc2)cs1 ZINC000442672058 867606638 /nfs/dbraw/zinc/60/66/38/867606638.db2.gz MOCMQORYIKKUEP-HNNXBMFYSA-N -1 1 422.897 4.483 20 30 HIEDMM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cnccc1C(F)(F)F ZINC000442774594 867670786 /nfs/dbraw/zinc/67/07/86/867670786.db2.gz VYHZCRZQAUZIGT-LBPRGKRZSA-N -1 1 416.318 4.212 20 30 HIEDMM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccc(F)cc1)c1cnccc1C(F)(F)F ZINC000442774593 867670815 /nfs/dbraw/zinc/67/08/15/867670815.db2.gz VYHZCRZQAUZIGT-GFCCVEGCSA-N -1 1 416.318 4.212 20 30 HIEDMM N#CC(=C([O-])c1ccccc1Cn1cncn1)c1nc(-c2c(F)cccc2F)cs1 ZINC000442806970 867680964 /nfs/dbraw/zinc/68/09/64/867680964.db2.gz DCKXBHZDYWWSJV-HNNXBMFYSA-N -1 1 421.432 4.218 20 30 HIEDMM CC(C)N1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000443115204 867826008 /nfs/dbraw/zinc/82/60/08/867826008.db2.gz MLKRQHUBRBTCLY-UYAOXDASSA-N -1 1 401.869 4.010 20 30 HIEDMM N#Cc1ccc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)cc1[O-] ZINC000443339803 867912510 /nfs/dbraw/zinc/91/25/10/867912510.db2.gz ZIAYLEDIWZREJQ-UHFFFAOYSA-N -1 1 405.281 4.049 20 30 HIEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c1 ZINC000443373031 867935465 /nfs/dbraw/zinc/93/54/65/867935465.db2.gz VVYWGVVKWYORTJ-UHFFFAOYSA-N -1 1 420.313 4.245 20 30 HIEDMM C=C(C)C[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000468332474 882265329 /nfs/dbraw/zinc/26/53/29/882265329.db2.gz RAYZPBBZYMHKKP-ZDUSSCGKSA-N -1 1 408.907 4.387 20 30 HIEDMM COc1cc(-c2noc([C@H](C)Oc3ccc(C#N)cc3)n2)cc(Br)c1[O-] ZINC000445394097 869479880 /nfs/dbraw/zinc/47/98/80/869479880.db2.gz SFIAGPKCRMXOLF-JTQLQIEISA-N -1 1 416.231 4.225 20 30 HIEDMM Cc1nc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c(Cl)cc1C#N ZINC000461764623 874897887 /nfs/dbraw/zinc/89/78/87/874897887.db2.gz AJVZVHKGOYDNGC-UHFFFAOYSA-N -1 1 412.902 4.328 20 30 HIEDMM N#Cc1nnc2ccccc2c1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000462884217 875912258 /nfs/dbraw/zinc/91/22/58/875912258.db2.gz ORGBLHHTOXHXTJ-UHFFFAOYSA-N -1 1 402.435 4.095 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000466288418 880032994 /nfs/dbraw/zinc/03/29/94/880032994.db2.gz MEDYRUUZGDFZNU-UHFFFAOYSA-N -1 1 403.463 4.400 20 30 HIEDMM C=C(C)C[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000466777739 880556916 /nfs/dbraw/zinc/55/69/16/880556916.db2.gz TZAUQQCWUZSSBJ-HNNXBMFYSA-N -1 1 417.487 4.245 20 30 HIEDMM COc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)c(F)c2)ccc1F ZINC000471597993 886310323 /nfs/dbraw/zinc/31/03/23/886310323.db2.gz IBCYTVDMSYDAGV-UHFFFAOYSA-N -1 1 416.405 4.438 20 30 HIEDMM CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000476301839 891214150 /nfs/dbraw/zinc/21/41/50/891214150.db2.gz BCXBUXHUKLVCJQ-JTQLQIEISA-N -1 1 409.842 4.117 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1C(F)(F)F ZINC000479130309 894398336 /nfs/dbraw/zinc/39/83/36/894398336.db2.gz CURALOUYAGPVKL-UHFFFAOYSA-N -1 1 408.323 4.483 20 30 HIEDMM N#CC(=C([O-])c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cnc2ccccc2n1 ZINC000483220818 898866016 /nfs/dbraw/zinc/86/60/16/898866016.db2.gz XPGHCNSPIMJOGI-LJQANCHMSA-N -1 1 424.460 4.049 20 30 HIEDMM N#C[C@H](C(=O)c1ccn(C2CCCCC2)n1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000483437279 899071679 /nfs/dbraw/zinc/07/16/79/899071679.db2.gz IDJGKCVYQPQVFB-OAHLLOKOSA-N -1 1 421.526 4.467 20 30 HIEDMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000484514394 900003288 /nfs/dbraw/zinc/00/32/88/900003288.db2.gz MCQICRDJTZOQEC-UHFFFAOYSA-N -1 1 412.442 4.437 20 30 HIEDMM O=S(=O)([N-][C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000486645208 901771442 /nfs/dbraw/zinc/77/14/42/901771442.db2.gz OWRMSBBMUIILJF-CYBMUJFWSA-N -1 1 417.302 4.148 20 30 HIEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000487221684 902106221 /nfs/dbraw/zinc/10/62/21/902106221.db2.gz SFHBBZLGCUHSDY-NRFANRHFSA-N -1 1 415.497 4.037 20 30 HIEDMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC#N)cc2)c1C ZINC000490668759 904164597 /nfs/dbraw/zinc/16/45/97/904164597.db2.gz CTGWUQPUMCWHBF-UHFFFAOYSA-N -1 1 413.543 4.045 20 30 HIEDMM Cn1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1C1CCC1 ZINC000495285772 906358187 /nfs/dbraw/zinc/35/81/87/906358187.db2.gz YMNFEOQVOOBABS-OAHLLOKOSA-N -1 1 406.511 4.372 20 30 HIEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000497846369 907326678 /nfs/dbraw/zinc/32/66/78/907326678.db2.gz LQGRRNSGUIIGSS-GOSISDBHSA-N -1 1 404.388 4.275 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(COc3ccc(C)nc3)c2)n1 ZINC000512944116 921430585 /nfs/dbraw/zinc/43/05/85/921430585.db2.gz YCPDOOIBVFSTBF-SFHVURJKSA-N -1 1 421.478 4.092 20 30 HIEDMM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000513364458 921740076 /nfs/dbraw/zinc/74/00/76/921740076.db2.gz NZEJEJJPELEKOD-UHFFFAOYSA-N -1 1 419.462 4.340 20 30 HIEDMM Cc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000506479163 915082327 /nfs/dbraw/zinc/08/23/27/915082327.db2.gz VREFCEWEWMPOTD-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000509544900 918194336 /nfs/dbraw/zinc/19/43/36/918194336.db2.gz UEHHPSGVFLJWME-UHFFFAOYSA-N -1 1 416.915 4.262 20 30 HIEDMM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000509613601 918261212 /nfs/dbraw/zinc/26/12/12/918261212.db2.gz NFJQFGNWBMDFAL-UHFFFAOYSA-N -1 1 416.405 4.438 20 30 HIEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC#N)CCC)c2)cc1 ZINC000510766660 919221972 /nfs/dbraw/zinc/22/19/72/919221972.db2.gz UGHXJTCSUCNSFT-UHFFFAOYSA-N -1 1 413.543 4.206 20 30 HIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000513655234 921975747 /nfs/dbraw/zinc/97/57/47/921975747.db2.gz PFLMOFZMBHGZPA-AWEZNQCLSA-N -1 1 420.270 4.216 20 30 HIEDMM C[C@@H](C#N)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000517685885 926788813 /nfs/dbraw/zinc/78/88/13/926788813.db2.gz LLHPPPSAONACNA-KRWDZBQOSA-N -1 1 419.506 4.044 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Sc2nncs2)c(Cl)c1 ZINC000524852226 929858596 /nfs/dbraw/zinc/85/85/96/929858596.db2.gz VGNYMFZXZFHTCO-UHFFFAOYSA-N -1 1 422.944 4.324 20 30 HIEDMM CC(C)c1nc2cc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)ccc2o1 ZINC000531489341 931075286 /nfs/dbraw/zinc/07/52/86/931075286.db2.gz AKPHUYXGUUHQNT-UHFFFAOYSA-N -1 1 420.288 4.386 20 30 HIEDMM N#C[C@@H](C(=O)c1cccc([C@H]2CCOC2)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000535637964 933279303 /nfs/dbraw/zinc/27/93/03/933279303.db2.gz LWJHKPMBHFIBPW-RDJZCZTQSA-N -1 1 419.506 4.270 20 30 HIEDMM CNc1ccc(C#N)cc1NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000563759812 945288193 /nfs/dbraw/zinc/28/81/93/945288193.db2.gz VHCGNHNCZJIVRN-UHFFFAOYSA-N -1 1 410.433 4.486 20 30 HIEDMM CC(=O)c1ccc(C#N)c(N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000544393588 940410414 /nfs/dbraw/zinc/41/04/14/940410414.db2.gz ZULMTYGIXGDWOW-UHFFFAOYSA-N -1 1 419.506 4.198 20 30 HIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC000555974090 942782016 /nfs/dbraw/zinc/78/20/16/942782016.db2.gz JRPQYNNMJHXVBP-UHFFFAOYSA-N -1 1 402.516 4.427 20 30 HIEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCC(C)(C)CCC#N)c1 ZINC000561732148 944768534 /nfs/dbraw/zinc/76/85/34/944768534.db2.gz NKAHVRHAGLQVFR-UHFFFAOYSA-N -1 1 413.543 4.164 20 30 HIEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)cc1 ZINC000572055069 947835258 /nfs/dbraw/zinc/83/52/58/947835258.db2.gz FEPFIRNGOZCPHN-UHFFFAOYSA-N -1 1 413.421 4.122 20 30 HIEDMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000436177735 861478512 /nfs/dbraw/zinc/47/85/12/861478512.db2.gz GFVFJRAZGJEXBI-UHFFFAOYSA-N -1 1 401.232 4.233 20 30 HIEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436244689 861553678 /nfs/dbraw/zinc/55/36/78/861553678.db2.gz KUGJFRCMZSWFHH-GFCCVEGCSA-N -1 1 400.529 4.185 20 30 HIEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436253858 861565137 /nfs/dbraw/zinc/56/51/37/861565137.db2.gz ORPVNSDFRVEHIW-LBPRGKRZSA-N -1 1 400.529 4.042 20 30 HIEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ccc(Br)o3)s2)cc1 ZINC000014621469 845963559 /nfs/dbraw/zinc/96/35/59/845963559.db2.gz SOTYJSDOQGTPFB-UHFFFAOYSA-N -1 1 421.301 4.310 20 30 HIEDMM C#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2)c1 ZINC000022409032 846566946 /nfs/dbraw/zinc/56/69/46/846566946.db2.gz BPPLMXFPUVAYEH-UHFFFAOYSA-N -1 1 420.490 4.120 20 30 HIEDMM C#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000022409023 846567558 /nfs/dbraw/zinc/56/75/58/846567558.db2.gz IBLYOBKWGMDSLE-UHFFFAOYSA-N -1 1 410.882 4.374 20 30 HIEDMM N#CC(=C([O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000041537006 848227673 /nfs/dbraw/zinc/22/76/73/848227673.db2.gz OTAOWSMBZOMVKV-INIZCTEOSA-N -1 1 415.434 4.394 20 30 HIEDMM N#CC(=C([O-])c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc2ccccc2[nH]1 ZINC000048813390 849270039 /nfs/dbraw/zinc/27/00/39/849270039.db2.gz RWOVQBLEPWKVSY-CQSZACIVSA-N -1 1 403.392 4.006 20 30 HIEDMM N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])ccc21 ZINC000436836978 862018038 /nfs/dbraw/zinc/01/80/38/862018038.db2.gz FKLMKULSECAXSI-UHFFFAOYSA-N -1 1 417.387 4.246 20 30 HIEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000054537507 849885094 /nfs/dbraw/zinc/88/50/94/849885094.db2.gz SSESGTGHBDGAMJ-UHFFFAOYSA-N -1 1 407.470 4.178 20 30 HIEDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000055590463 850067125 /nfs/dbraw/zinc/06/71/25/850067125.db2.gz IQZGUJGNRXIDFE-UHFFFAOYSA-N -1 1 406.463 4.141 20 30 HIEDMM N#CCCC[C@@H](NC(=O)c1cc(I)ccc1[O-])c1ccccc1 ZINC000436926973 862105905 /nfs/dbraw/zinc/10/59/05/862105905.db2.gz PRISXMCSAPHSMI-MRXNPFEDSA-N -1 1 420.250 4.162 20 30 HIEDMM COc1cccc(CCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000302906875 854675248 /nfs/dbraw/zinc/67/52/48/854675248.db2.gz CYLYCWKRYKWCTP-MRXNPFEDSA-N -1 1 407.495 4.093 20 30 HIEDMM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427102398 856637804 /nfs/dbraw/zinc/63/78/04/856637804.db2.gz UKBIESDNQINLKN-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1C#N ZINC000427801986 856961316 /nfs/dbraw/zinc/96/13/16/856961316.db2.gz SZQJJHSAJAFKMM-UHFFFAOYSA-N -1 1 401.451 4.176 20 30 HIEDMM C=C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000428044219 857054002 /nfs/dbraw/zinc/05/40/02/857054002.db2.gz JRHFPGOIQNBZEP-LJQANCHMSA-N -1 1 402.491 4.116 20 30 HIEDMM C=C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000428047922 857055207 /nfs/dbraw/zinc/05/52/07/857055207.db2.gz GSUUCVSRUWRADW-GOSISDBHSA-N -1 1 404.919 4.322 20 30 HIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn(-c3ccncc3)c2C(F)F)s1 ZINC000430588757 858228636 /nfs/dbraw/zinc/22/86/36/858228636.db2.gz ASFSHCSNIOIOTN-GFCCVEGCSA-N -1 1 401.442 4.449 20 30 HIEDMM CCC(CC)n1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000431257098 858534236 /nfs/dbraw/zinc/53/42/36/858534236.db2.gz KJHTXPKVBMXUOD-AWEZNQCLSA-N -1 1 409.515 4.323 20 30 HIEDMM Cc1c(C#N)cccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000431837276 858833414 /nfs/dbraw/zinc/83/34/14/858833414.db2.gz KMIXCHKCANZPPP-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM Cc1c(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1Br ZINC000432647200 859271580 /nfs/dbraw/zinc/27/15/80/859271580.db2.gz RMQHJERFZUMGGN-UHFFFAOYSA-N -1 1 403.660 4.223 20 30 HIEDMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)cc21 ZINC000432776594 859355944 /nfs/dbraw/zinc/35/59/44/859355944.db2.gz PSNSVFFLQRZDRW-UHFFFAOYSA-N -1 1 419.304 4.052 20 30 HIEDMM CC(=Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339463 860749296 /nfs/dbraw/zinc/74/92/96/860749296.db2.gz UEMWNIJNOKTRJI-GQSKFBFOSA-N -1 1 417.309 4.383 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)ccc1C#N ZINC000435729408 861011555 /nfs/dbraw/zinc/01/15/55/861011555.db2.gz ANGSJIRDWHUYLD-UHFFFAOYSA-N -1 1 402.541 4.080 20 30 HIEDMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)c(C#N)c3)ccc21 ZINC000442244873 867283504 /nfs/dbraw/zinc/28/35/04/867283504.db2.gz QHFHHYMPYCTNBZ-UHFFFAOYSA-N -1 1 424.404 4.188 20 30 HIEDMM COc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc(Cl)c1[O-] ZINC000442875685 867709914 /nfs/dbraw/zinc/70/99/14/867709914.db2.gz UFZLNBYORYKTOO-UHFFFAOYSA-N -1 1 400.740 4.119 20 30 HIEDMM N#Cc1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1[O-] ZINC000442894950 867726479 /nfs/dbraw/zinc/72/64/79/867726479.db2.gz DAAVRVMAUJCMKX-UHFFFAOYSA-N -1 1 408.461 4.106 20 30 HIEDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)c2)o1 ZINC000443354859 867922848 /nfs/dbraw/zinc/92/28/48/867922848.db2.gz GMPYFRQWJNQHBU-UHFFFAOYSA-N -1 1 418.272 4.085 20 30 HIEDMM Cc1nc2ccc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)cc2s1 ZINC000443362925 867928484 /nfs/dbraw/zinc/92/84/84/867928484.db2.gz SNDBTORGOCHHET-UHFFFAOYSA-N -1 1 408.302 4.040 20 30 HIEDMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c2)n1 ZINC000443399658 867958697 /nfs/dbraw/zinc/95/86/97/867958697.db2.gz NLUXWDLKNQEKBG-UHFFFAOYSA-N -1 1 420.416 4.180 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)ccc1Cl ZINC000443413809 867997646 /nfs/dbraw/zinc/99/76/46/867997646.db2.gz GYSIEEVGAHBFNJ-UHFFFAOYSA-N -1 1 408.760 4.093 20 30 HIEDMM CC(=O)Nc1ccc(C)c(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000444453978 868833660 /nfs/dbraw/zinc/83/36/60/868833660.db2.gz LFFXMPSYEPEUOW-INIZCTEOSA-N -1 1 420.494 4.033 20 30 HIEDMM CCOc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)ccc1C ZINC000503503965 912550246 /nfs/dbraw/zinc/55/02/46/912550246.db2.gz UGLILTMHBXWJAZ-HNNXBMFYSA-N -1 1 407.495 4.473 20 30 HIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2c(CCC)cccc2C(C)C)c1 ZINC000472001919 886827368 /nfs/dbraw/zinc/82/73/68/886827368.db2.gz JRAFYQVXVOCKBS-UHFFFAOYSA-N -1 1 400.544 4.479 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(CN2CCc3ccccc32)cc1 ZINC000475807068 890741154 /nfs/dbraw/zinc/74/11/54/890741154.db2.gz BWXLMTKGLOMGDG-UHFFFAOYSA-N -1 1 403.507 4.116 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)ccc1Cl ZINC000475805867 890741655 /nfs/dbraw/zinc/74/16/55/890741655.db2.gz AFWBSNZGEVUSRT-UHFFFAOYSA-N -1 1 407.776 4.126 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Br)ccc1N1CCCC1 ZINC000477372290 892333393 /nfs/dbraw/zinc/33/33/93/892333393.db2.gz IQFDKROPXBFADY-UHFFFAOYSA-N -1 1 420.332 4.030 20 30 HIEDMM CC[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000478811059 894085695 /nfs/dbraw/zinc/08/56/95/894085695.db2.gz ICWGEZHKKZJWHD-IBGZPJMESA-N -1 1 419.506 4.186 20 30 HIEDMM C=C(C)CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000482208695 897688174 /nfs/dbraw/zinc/68/81/74/897688174.db2.gz KDDBTJZJOKSPJR-UHFFFAOYSA-N -1 1 412.433 4.154 20 30 HIEDMM N#C[C@@H](C(=O)c1ccn(C2CCCCC2)n1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000483437277 899072076 /nfs/dbraw/zinc/07/20/76/899072076.db2.gz IDJGKCVYQPQVFB-HNNXBMFYSA-N -1 1 421.526 4.467 20 30 HIEDMM N#Cc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000505782238 914449060 /nfs/dbraw/zinc/44/90/60/914449060.db2.gz IYWXAHONWSGOGY-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM Cc1ccc(Cl)cc1NC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000487493815 902224355 /nfs/dbraw/zinc/22/43/55/902224355.db2.gz BSYCZHFAWLFJKT-ZDUSSCGKSA-N -1 1 412.902 4.483 20 30 HIEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)c(C#N)c2)cc1 ZINC000488386787 902797282 /nfs/dbraw/zinc/79/72/82/902797282.db2.gz MVURRTKXHOTUAU-UHFFFAOYSA-N -1 1 421.478 4.500 20 30 HIEDMM C=C(C)CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000490072600 903758709 /nfs/dbraw/zinc/75/87/09/903758709.db2.gz BTSHXDXQVKRDLJ-UHFFFAOYSA-N -1 1 413.326 4.029 20 30 HIEDMM Cn1c(C(C#N)=C([O-])c2ccn(-c3ccc(Br)cc3)n2)nc2ccccc21 ZINC000495221528 906317216 /nfs/dbraw/zinc/31/72/16/906317216.db2.gz PGTQGCXVDJWBAW-OAHLLOKOSA-N -1 1 420.270 4.012 20 30 HIEDMM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(S(C)(=O)=O)o3)sc2C1 ZINC000497556199 907043868 /nfs/dbraw/zinc/04/38/68/907043868.db2.gz JCSFBGIXLCLIMI-LLVKDONJSA-N -1 1 406.529 4.020 20 30 HIEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1NC(=O)c1ccco1 ZINC000497555362 907044891 /nfs/dbraw/zinc/04/48/91/907044891.db2.gz XCCGZWLVYDPDCN-UHFFFAOYSA-N -1 1 415.858 4.166 20 30 HIEDMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000498014745 907507947 /nfs/dbraw/zinc/50/79/47/907507947.db2.gz FSXGOKIVELBNSD-UHFFFAOYSA-N -1 1 401.385 4.337 20 30 HIEDMM N#CC(=C([O-])c1cccc(OC[C@H]2CCCO2)c1)c1nc(-c2ccncc2)cs1 ZINC000512954229 921435952 /nfs/dbraw/zinc/43/59/52/921435952.db2.gz ZBUIFEBUTZKRAU-RTBURBONSA-N -1 1 405.479 4.253 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(-n3nc(C)c(CC)c3C)c2)n1 ZINC000500442956 909862230 /nfs/dbraw/zinc/86/22/30/909862230.db2.gz RLDPJEBRINULPX-SFHVURJKSA-N -1 1 422.510 4.175 20 30 HIEDMM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000509538542 918187064 /nfs/dbraw/zinc/18/70/64/918187064.db2.gz GOUWAKJTNCTYLV-UHFFFAOYSA-N -1 1 416.915 4.262 20 30 HIEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000511730352 920396773 /nfs/dbraw/zinc/39/67/73/920396773.db2.gz REDBAQOFLSNUFH-UHFFFAOYSA-N -1 1 409.423 4.368 20 30 HIEDMM C[C@@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000512105885 920863789 /nfs/dbraw/zinc/86/37/89/920863789.db2.gz NAMHHHSALDCSTB-KRWDZBQOSA-N -1 1 419.506 4.186 20 30 HIEDMM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccccc3)c2C(F)(F)F)nc2ccccc21 ZINC000513660050 921982586 /nfs/dbraw/zinc/98/25/86/921982586.db2.gz JLJDLTOFLNWFHI-AWEZNQCLSA-N -1 1 409.371 4.268 20 30 HIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)c1 ZINC000515618238 923219541 /nfs/dbraw/zinc/21/95/41/923219541.db2.gz JPWRZFCFEXLBPQ-UHFFFAOYSA-N -1 1 408.479 4.196 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C[S@](C)=O)c3)n2)cc1 ZINC000516270027 923638723 /nfs/dbraw/zinc/63/87/23/923638723.db2.gz KTZDUNGWVZCBJP-JMQGSBJISA-N -1 1 410.520 4.187 20 30 HIEDMM CC(=O)Nc1nc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)cs1 ZINC000524657897 929771996 /nfs/dbraw/zinc/77/19/96/929771996.db2.gz IIQSUTSCHZVPHS-UHFFFAOYSA-N -1 1 414.434 4.378 20 30 HIEDMM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000525534120 930308508 /nfs/dbraw/zinc/30/85/08/930308508.db2.gz LYDHRPKVPZHZBL-UHFFFAOYSA-N -1 1 419.384 4.272 20 30 HIEDMM CCC(CC)CN(CCC#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000530994720 930879351 /nfs/dbraw/zinc/87/93/51/930879351.db2.gz PHMBYKMGKGYGOF-UHFFFAOYSA-N -1 1 413.543 4.279 20 30 HIEDMM C=C(C)[C@@H](CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)OCC ZINC000535895427 933475250 /nfs/dbraw/zinc/47/52/50/933475250.db2.gz AULQKQYYPSQOAE-HXUWFJFHSA-N -1 1 402.516 4.106 20 30 HIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(C(=O)N(C)CC)c1 ZINC000563564108 945216483 /nfs/dbraw/zinc/21/64/83/945216483.db2.gz JEEABXNCNBCKEY-UHFFFAOYSA-N -1 1 400.544 4.431 20 30 HIEDMM N#Cc1ccccc1S(=O)(=O)[N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000540482308 939269769 /nfs/dbraw/zinc/26/97/69/939269769.db2.gz HOPAWFPTSPZZLO-CQSZACIVSA-N -1 1 408.323 4.159 20 30 HIEDMM CCOc1cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc(Cl)c1[O-] ZINC000545141420 940548892 /nfs/dbraw/zinc/54/88/92/940548892.db2.gz MHBNFCNVLXKVHP-UHFFFAOYSA-N -1 1 417.252 4.407 20 30 HIEDMM N#CC(=C([O-])c1ccccc1OCc1cccc(Br)c1)c1ccncn1 ZINC000546153728 940715683 /nfs/dbraw/zinc/71/56/83/940715683.db2.gz SVPXHMDWSDDLCK-KRWDZBQOSA-N -1 1 408.255 4.308 20 30 HIEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000557863028 943315340 /nfs/dbraw/zinc/31/53/40/943315340.db2.gz IQZWZMNOWOUOIU-UHFFFAOYSA-N -1 1 414.152 4.364 20 30 HIEDMM CC(C)(CCC#N)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000557999771 943351109 /nfs/dbraw/zinc/35/11/09/943351109.db2.gz LSWVEVPKKFKSRM-UHFFFAOYSA-N -1 1 419.934 4.201 20 30 HIEDMM N#C[C@@H](C(=O)c1ccc2ncccc2c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000566380980 946014977 /nfs/dbraw/zinc/01/49/77/946014977.db2.gz DSEYKXCCIRKQEE-HNNXBMFYSA-N -1 1 400.463 4.314 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccccc1CC#N ZINC000567922184 946425911 /nfs/dbraw/zinc/42/59/11/946425911.db2.gz RRGJLRRNGYINIT-UHFFFAOYSA-N -1 1 423.469 4.253 20 30 HIEDMM N#Cc1cccc(COc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)cc2)c1 ZINC000569218442 946838437 /nfs/dbraw/zinc/83/84/37/946838437.db2.gz GAWVUZMYGQHCPV-UHFFFAOYSA-N -1 1 400.406 4.216 20 30 HIEDMM O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1c(F)ccc([O-])c1F ZINC000571006555 947429916 /nfs/dbraw/zinc/42/99/16/947429916.db2.gz IURGUPWMTYNHMZ-UHFFFAOYSA-N -1 1 407.245 4.453 20 30 HIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cn3ccc(Br)cc3n2)s1 ZINC000572893952 948032624 /nfs/dbraw/zinc/03/26/24/948032624.db2.gz IUHFYEVKLQBPRR-NSHDSACASA-N -1 1 403.305 4.341 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)SCC(=O)N4)n2)cc1 ZINC000574443597 948445934 /nfs/dbraw/zinc/44/59/34/948445934.db2.gz NYKOWKKFKCZGHD-HNNXBMFYSA-N -1 1 421.503 4.353 20 30 HIEDMM C=CCN(Cc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000024497542 846832632 /nfs/dbraw/zinc/83/26/32/846832632.db2.gz LLYFVNVDSUMFCO-UHFFFAOYSA-N -1 1 424.497 4.455 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc(C#N)cc3)c2)cc1 ZINC000026134738 847093696 /nfs/dbraw/zinc/09/36/96/847093696.db2.gz FWRIOCVGRWVOLD-QGZVFWFLSA-N -1 1 419.506 4.159 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc(C#N)cc3)c2)c1 ZINC000031434963 847884590 /nfs/dbraw/zinc/88/45/90/847884590.db2.gz CIQYBQTWNJFRDD-QGZVFWFLSA-N -1 1 419.506 4.159 20 30 HIEDMM Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000032060034 847984095 /nfs/dbraw/zinc/98/40/95/847984095.db2.gz OOOZJKZYIWWDFV-UHFFFAOYSA-N -1 1 417.918 4.472 20 30 HIEDMM N#CC(=C([O-])c1ccc(CNC(N)=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514941 848224593 /nfs/dbraw/zinc/22/45/93/848224593.db2.gz MMQLUAGEIUCHBQ-MRXNPFEDSA-N -1 1 410.886 4.122 20 30 HIEDMM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514519 848224815 /nfs/dbraw/zinc/22/48/15/848224815.db2.gz UXPHVDZJJBBYDN-AWEZNQCLSA-N -1 1 409.854 4.284 20 30 HIEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000041590566 848236142 /nfs/dbraw/zinc/23/61/42/848236142.db2.gz FXRRYMLXNJZPCS-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM COc1cc(-c2noc([C@@H](C)c3cccc(C#N)c3)n2)cc(Br)c1[O-] ZINC000436655243 861882533 /nfs/dbraw/zinc/88/25/33/861882533.db2.gz FMANOGIETXVENT-JTQLQIEISA-N -1 1 400.232 4.237 20 30 HIEDMM CCOc1cc(-c2noc(-c3cccc(CC#N)c3)n2)cc(Br)c1[O-] ZINC000436765011 861953605 /nfs/dbraw/zinc/95/36/05/861953605.db2.gz AHVOJUPRGCIMKW-UHFFFAOYSA-N -1 1 400.232 4.336 20 30 HIEDMM Cc1ccc(CCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)c1 ZINC000047362237 849032517 /nfs/dbraw/zinc/03/25/17/849032517.db2.gz QIMGZTDCJOVGRG-QGZVFWFLSA-N -1 1 405.523 4.289 20 30 HIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000055639991 850087993 /nfs/dbraw/zinc/08/79/93/850087993.db2.gz QQHKDDNZJKQBSR-UHFFFAOYSA-N -1 1 400.378 4.069 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(F)c(NC(C)=O)c3)n2)cc1 ZINC000060043633 851034709 /nfs/dbraw/zinc/03/47/09/851034709.db2.gz UMUUCTURHWWEKY-INIZCTEOSA-N -1 1 409.442 4.406 20 30 HIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000147474179 853588414 /nfs/dbraw/zinc/58/84/14/853588414.db2.gz WRFVELOIIPBMEI-UKRRQHHQSA-N -1 1 407.455 4.418 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC#N)C3CCCC3)cc2)c1C ZINC000303750494 855172023 /nfs/dbraw/zinc/17/20/23/855172023.db2.gz LNXBWZMJLGMGRQ-UHFFFAOYSA-N -1 1 411.527 4.013 20 30 HIEDMM C=C[C@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000428032049 857049132 /nfs/dbraw/zinc/04/91/32/857049132.db2.gz IRGKPPLQCPLBEF-IBGZPJMESA-N -1 1 414.527 4.067 20 30 HIEDMM C=C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000428047403 857055000 /nfs/dbraw/zinc/05/50/00/857055000.db2.gz XXDJCRHOAKNGHK-IBGZPJMESA-N -1 1 414.527 4.067 20 30 HIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(I)c(Cl)c2)n1 ZINC000429352909 857616350 /nfs/dbraw/zinc/61/63/50/857616350.db2.gz XZNREAUUIAVFNI-SECBINFHSA-N -1 1 402.644 4.200 20 30 HIEDMM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)ccc2n1 ZINC000432763123 859341775 /nfs/dbraw/zinc/34/17/75/859341775.db2.gz AFAHSCUAESDNHH-UHFFFAOYSA-N -1 1 419.304 4.052 20 30 HIEDMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432782973 859358300 /nfs/dbraw/zinc/35/83/00/859358300.db2.gz ZOXLVJHTUDLLMF-UHFFFAOYSA-N -1 1 401.232 4.233 20 30 HIEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cc(F)c(F)cc3F)s2)cc1 ZINC000437938282 863313928 /nfs/dbraw/zinc/31/39/28/863313928.db2.gz YSGBKDQLVRQJGN-UHFFFAOYSA-N -1 1 406.414 4.372 20 30 HIEDMM N#CCC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000439668340 864999577 /nfs/dbraw/zinc/99/95/77/864999577.db2.gz CPAFDUNUSLOQLV-QFIPXVFZSA-N -1 1 419.506 4.262 20 30 HIEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccc1OC(F)(F)F ZINC000442229662 867262314 /nfs/dbraw/zinc/26/23/14/867262314.db2.gz NOTIUGQJYUWFDI-UHFFFAOYSA-N -1 1 424.322 4.362 20 30 HIEDMM Cc1cc(-n2cncn2)ccc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000442867939 867704458 /nfs/dbraw/zinc/70/44/58/867704458.db2.gz GAFUTYKEDOAQPY-LJQANCHMSA-N -1 1 410.462 4.061 20 30 HIEDMM COc1ccc([C@H](CNC(=O)c2ccc(C#N)c([O-])c2)c2c[nH]c3ccccc32)cc1 ZINC000442898423 867727766 /nfs/dbraw/zinc/72/77/66/867727766.db2.gz OJEWBTTZSOMNER-NRFANRHFSA-N -1 1 411.461 4.316 20 30 HIEDMM C=C[C@](C)(CC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000442897568 867728932 /nfs/dbraw/zinc/72/89/32/867728932.db2.gz IBPPNOBWVHKZML-HXUWFJFHSA-N -1 1 417.487 4.245 20 30 HIEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000468363415 882303260 /nfs/dbraw/zinc/30/32/60/882303260.db2.gz UEZWLSAXJLZLEI-UHFFFAOYSA-N -1 1 411.527 4.194 20 30 HIEDMM N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccc([O-])c(F)c3)no2)CC1 ZINC000445483112 869554366 /nfs/dbraw/zinc/55/43/66/869554366.db2.gz VMOHGMJXWUADKE-UHFFFAOYSA-N -1 1 421.388 4.085 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ncc4n3CCCC4)c2)ccc1Cl ZINC000446959020 870862826 /nfs/dbraw/zinc/86/28/26/870862826.db2.gz SIOMHLCJOWOHPO-UHFFFAOYSA-N -1 1 412.902 4.212 20 30 HIEDMM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(OC(F)F)c(F)c1 ZINC000447824320 871754791 /nfs/dbraw/zinc/75/47/91/871754791.db2.gz ZBMMXCKQTHOIHH-ZDUSSCGKSA-N -1 1 417.302 4.148 20 30 HIEDMM C=CCOCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000463451782 876511743 /nfs/dbraw/zinc/51/17/43/876511743.db2.gz OOIPILPQEIJWAP-UHFFFAOYSA-N -1 1 402.516 4.026 20 30 HIEDMM N#CC(=C([O-])c1csc(I)c1)c1cc(C(F)(F)F)ccn1 ZINC000464412694 877618483 /nfs/dbraw/zinc/61/84/83/877618483.db2.gz WHPDTYYGQSPBJH-SECBINFHSA-N -1 1 422.169 4.257 20 30 HIEDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccccc3SCCC#N)cc2F)c1 ZINC000466287017 880031693 /nfs/dbraw/zinc/03/16/93/880031693.db2.gz JFVXWYWETMFZIL-UHFFFAOYSA-N -1 1 416.503 4.126 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000466287350 880032094 /nfs/dbraw/zinc/03/20/94/880032094.db2.gz MQUZENXDUXGHBO-UHFFFAOYSA-N -1 1 403.463 4.400 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C(=O)N(C)C)c3)n2)cc1 ZINC000503540242 912600821 /nfs/dbraw/zinc/60/08/21/912600821.db2.gz NFCYPYREZKWWBT-SFHVURJKSA-N -1 1 405.479 4.011 20 30 HIEDMM N#Cc1cccc(S(=O)(=O)[N-][C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 ZINC000503841041 912837579 /nfs/dbraw/zinc/83/75/79/912837579.db2.gz APEPOTLXMSRVOI-CQSZACIVSA-N -1 1 408.323 4.159 20 30 HIEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1Br ZINC000470436875 884835172 /nfs/dbraw/zinc/83/51/72/884835172.db2.gz FNQMBVYHEUHKQF-UHFFFAOYSA-N -1 1 415.696 4.174 20 30 HIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1 ZINC000473773602 888574071 /nfs/dbraw/zinc/57/40/71/888574071.db2.gz OLNLELYPPMOEGA-UHFFFAOYSA-N -1 1 403.500 4.135 20 30 HIEDMM CCc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1[N+](=O)[O-] ZINC000473946201 888821887 /nfs/dbraw/zinc/82/18/87/888821887.db2.gz GVYTYHJEEDIIMO-AWEZNQCLSA-N -1 1 422.466 4.236 20 30 HIEDMM C=CCC(CC=C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000474538255 889412795 /nfs/dbraw/zinc/41/27/95/889412795.db2.gz HMEXGEUIDPZTKL-UHFFFAOYSA-N -1 1 402.491 4.011 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)cc1 ZINC000475785914 890726495 /nfs/dbraw/zinc/72/64/95/890726495.db2.gz FOTGJKZFPHEIGI-UHFFFAOYSA-N -1 1 403.463 4.004 20 30 HIEDMM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475804140 890738994 /nfs/dbraw/zinc/73/89/94/890738994.db2.gz CNVRIJVBNOQROL-UHFFFAOYSA-N -1 1 405.479 4.114 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(OCc2cccc(C#N)c2)c1 ZINC000475818422 890751804 /nfs/dbraw/zinc/75/18/04/890751804.db2.gz ZGJNZFPJBNRVDH-UHFFFAOYSA-N -1 1 403.463 4.004 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CCC#N)CC(C)(C)C)c2)cc1 ZINC000477777250 892860977 /nfs/dbraw/zinc/86/09/77/892860977.db2.gz NOAUNPLOZRUDQO-UHFFFAOYSA-N -1 1 413.543 4.198 20 30 HIEDMM COc1cc(Cl)cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000495285799 906358929 /nfs/dbraw/zinc/35/89/29/906358929.db2.gz ZIJMTUYVPMNLET-AWEZNQCLSA-N -1 1 413.886 4.428 20 30 HIEDMM N#Cc1cccc(COc2ccc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)cc2)c1 ZINC000497101951 906806569 /nfs/dbraw/zinc/80/65/69/906806569.db2.gz ZNOULEGAGXYMMT-UHFFFAOYSA-N -1 1 422.444 4.344 20 30 HIEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CCS2)c1nc(-c2ccncc2)cs1 ZINC000512937099 921425808 /nfs/dbraw/zinc/42/58/08/921425808.db2.gz IDDDYZIQVBTSQZ-AWEZNQCLSA-N -1 1 406.492 4.129 20 30 HIEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cnc1N1CCCC[C@@H]1C ZINC000502425627 911405799 /nfs/dbraw/zinc/40/57/99/911405799.db2.gz PGSZQYSVWNUAOE-AWEZNQCLSA-N -1 1 404.923 4.095 20 30 HIEDMM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000513426468 921797105 /nfs/dbraw/zinc/79/71/05/921797105.db2.gz IMNWBEFMEVSKGE-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)c(F)c1 ZINC000508180504 917001655 /nfs/dbraw/zinc/00/16/55/917001655.db2.gz MDVOBXDXFDSJRN-UHFFFAOYSA-N -1 1 407.623 4.053 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(SC)c2)cc1 ZINC000509076391 917821405 /nfs/dbraw/zinc/82/14/05/917821405.db2.gz WAJVQFMLFPOZER-UHFFFAOYSA-N -1 1 402.541 4.024 20 30 HIEDMM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000509618076 918266157 /nfs/dbraw/zinc/26/61/57/918266157.db2.gz ZXFIPTUJJWGRTK-UHFFFAOYSA-N -1 1 422.462 4.363 20 30 HIEDMM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1-c1ccnn1C ZINC000509862828 918465552 /nfs/dbraw/zinc/46/55/52/918465552.db2.gz HRZKYVIOXYQJQI-QGZVFWFLSA-N -1 1 415.478 4.104 20 30 HIEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1OCC(F)(F)F ZINC000515630921 923232127 /nfs/dbraw/zinc/23/21/27/923232127.db2.gz MOUITMJNTIUOIV-UHFFFAOYSA-N -1 1 424.322 4.319 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(OC)c4c(c3)OCCO4)n2)cc1 ZINC000516270426 923638294 /nfs/dbraw/zinc/63/82/94/923638294.db2.gz YACXEMOGVQBRGB-INIZCTEOSA-N -1 1 422.462 4.089 20 30 HIEDMM N#CC(=C([O-])c1ccc2c(c1)CCC(=O)N2)c1nc(-c2c(F)cccc2F)cs1 ZINC000518870950 927581421 /nfs/dbraw/zinc/58/14/21/927581421.db2.gz NRXCWEZGSYHTNZ-ZDUSSCGKSA-N -1 1 409.417 4.463 20 30 HIEDMM CC(=Cc1cc(Br)c(C)c(Br)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000520436895 928565728 /nfs/dbraw/zinc/56/57/28/928565728.db2.gz JDYYCRBFGMTBHA-YWEYNIOJSA-N -1 1 423.108 4.344 20 30 HIEDMM C=C(C)[C@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)OCC ZINC000533691578 931971932 /nfs/dbraw/zinc/97/19/32/931971932.db2.gz BRQPEUWQZQYEBO-IBGZPJMESA-N -1 1 402.516 4.106 20 30 HIEDMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCCC#N)cc2)c(C)c1C ZINC000542384246 939811780 /nfs/dbraw/zinc/81/17/80/939811780.db2.gz BXNTYIIQRCSIAZ-UHFFFAOYSA-N -1 1 413.543 4.063 20 30 HIEDMM O=S(=O)([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)c1ccccc1OC(F)F ZINC000543169544 939984042 /nfs/dbraw/zinc/98/40/42/939984042.db2.gz ROGDLLAXIRWNOG-ZDUSSCGKSA-N -1 1 417.302 4.148 20 30 HIEDMM CCOc1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc(Cl)c1[O-] ZINC000545877397 940649164 /nfs/dbraw/zinc/64/91/64/940649164.db2.gz KBJNYWMDWUSUQW-AWEZNQCLSA-N -1 1 409.667 4.201 20 30 HIEDMM Cn1cc(Oc2ccccc2C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000549416648 941187818 /nfs/dbraw/zinc/18/78/18/941187818.db2.gz VZMBDQJBRWHFOV-OAHLLOKOSA-N -1 1 407.380 4.447 20 30 HIEDMM CC(C)c1noc(Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)n1 ZINC000555429596 942528048 /nfs/dbraw/zinc/52/80/48/942528048.db2.gz RODHMZQYTZYQKA-UHFFFAOYSA-N -1 1 416.890 4.110 20 30 HIEDMM N#Cc1ccc(OC2CCN(C(=O)c3c([O-])cnc4ccc(Cl)cc43)CC2)cc1 ZINC000567357054 946314024 /nfs/dbraw/zinc/31/40/24/946314024.db2.gz PXWZQDWVMKELKT-UHFFFAOYSA-N -1 1 407.857 4.149 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000575354976 948652543 /nfs/dbraw/zinc/65/25/43/948652543.db2.gz MZRNIQHJIWQLFQ-NDEPHWFRSA-N -1 1 424.547 4.116 20 30 HIEDMM N#Cc1ccc(C2(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)CC2)cc1 ZINC000436102232 861387493 /nfs/dbraw/zinc/38/74/93/861387493.db2.gz QGBBREWGWCYOLP-UHFFFAOYSA-N -1 1 417.490 4.029 20 30 HIEDMM N#CC(=C([O-])c1ccc(I)cc1)c1nc2ccccc2s1 ZINC000004069983 845045409 /nfs/dbraw/zinc/04/54/09/845045409.db2.gz SHGQGOZUYGZWOD-LBPRGKRZSA-N -1 1 404.232 4.391 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)CCc3ccc(CC)cc3)n2)n[n-]c1=S ZINC000023041857 846652019 /nfs/dbraw/zinc/65/20/19/846652019.db2.gz ODRVKGDBCPIKEC-UHFFFAOYSA-N -1 1 413.572 4.308 20 30 HIEDMM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000029587400 847584593 /nfs/dbraw/zinc/58/45/93/847584593.db2.gz XZBLZIKGTHICDO-HNNXBMFYSA-N -1 1 422.466 4.440 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000029806611 847624051 /nfs/dbraw/zinc/62/40/51/847624051.db2.gz HMFAAYBFOFLTBS-UHFFFAOYSA-N -1 1 408.882 4.094 20 30 HIEDMM CC(C)(C)CN(CCC#N)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436568576 861854905 /nfs/dbraw/zinc/85/49/05/861854905.db2.gz URVHWHQQUFEAAF-UHFFFAOYSA-N -1 1 415.440 4.325 20 30 HIEDMM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccccc1-n1ncc(C#N)c1N ZINC000032595766 848052743 /nfs/dbraw/zinc/05/27/43/848052743.db2.gz VQIBLGJENANOGC-UHFFFAOYSA-N -1 1 423.542 4.041 20 30 HIEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)o1 ZINC000032799070 848077076 /nfs/dbraw/zinc/07/70/76/848077076.db2.gz PCLRCAOOKDUUST-UHFFFAOYSA-N -1 1 424.478 4.114 20 30 HIEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CO2)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548841 848229689 /nfs/dbraw/zinc/22/96/89/848229689.db2.gz QJBCAGORUUGZHO-LLVKDONJSA-N -1 1 417.368 4.136 20 30 HIEDMM CC(C)(C#N)CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436719818 861906308 /nfs/dbraw/zinc/90/63/08/861906308.db2.gz QIDPIKAVOABKAT-UHFFFAOYSA-N -1 1 406.269 4.231 20 30 HIEDMM O=C(COc1ccc2cc(Br)ccc2c1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000051266389 849448523 /nfs/dbraw/zinc/44/85/23/849448523.db2.gz ZTCXSGDINLTKJE-UHFFFAOYSA-N -1 1 415.169 4.406 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3sccc3C#N)ccc2C)c1 ZINC000052033785 849545055 /nfs/dbraw/zinc/54/50/55/849545055.db2.gz JIMQBJUEKSFXPD-UHFFFAOYSA-N -1 1 411.508 4.290 20 30 HIEDMM CCOc1cc(-c2noc(-c3ccn(-c4cccc(C#N)c4)n3)n2)cc(Cl)c1[O-] ZINC000436876778 862054480 /nfs/dbraw/zinc/05/44/80/862054480.db2.gz KMVFNDMSRXFHOQ-UHFFFAOYSA-N -1 1 407.817 4.219 20 30 HIEDMM C=C(C)CN(C)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436886899 862063903 /nfs/dbraw/zinc/06/39/03/862063903.db2.gz MQFNJQDJRJXDTR-UHFFFAOYSA-N -1 1 403.276 4.055 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCCC)cc2)cc1 ZINC000057123537 850553267 /nfs/dbraw/zinc/55/32/67/850553267.db2.gz KHEDCRSPEHHCGT-UHFFFAOYSA-N -1 1 414.527 4.090 20 30 HIEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3cccc(C#N)c3)c2)c1 ZINC000064320821 851871455 /nfs/dbraw/zinc/87/14/55/851871455.db2.gz HYOPBBKCRIQMBM-UHFFFAOYSA-N -1 1 419.506 4.253 20 30 HIEDMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000108597385 852863841 /nfs/dbraw/zinc/86/38/41/852863841.db2.gz YMGJJGBNGKSDDW-UHFFFAOYSA-N -1 1 407.499 4.237 20 30 HIEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000138815738 853396544 /nfs/dbraw/zinc/39/65/44/853396544.db2.gz UCUVUKSUESALHU-LLVKDONJSA-N -1 1 417.277 4.473 20 30 HIEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000138827249 853396783 /nfs/dbraw/zinc/39/67/83/853396783.db2.gz TUKPKWIMKYPFIS-GFCCVEGCSA-N -1 1 417.277 4.473 20 30 HIEDMM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1)c1cccc(C#N)c1 ZINC000301597713 854427064 /nfs/dbraw/zinc/42/70/64/854427064.db2.gz XCLSINKQVWXGJW-ZDUSSCGKSA-N -1 1 414.437 4.205 20 30 HIEDMM C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1)c1cccc(C#N)c1 ZINC000301597712 854427449 /nfs/dbraw/zinc/42/74/49/854427449.db2.gz XCLSINKQVWXGJW-CYBMUJFWSA-N -1 1 414.437 4.205 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000303913967 855286266 /nfs/dbraw/zinc/28/62/66/855286266.db2.gz UVRXDAMRBIFNOB-HHHXNRCGSA-N -1 1 416.568 4.249 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)ccc1Br ZINC000303944834 855309893 /nfs/dbraw/zinc/30/98/93/855309893.db2.gz UJUWBUHRENFZQN-UHFFFAOYSA-N -1 1 419.222 4.449 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1Br ZINC000323992744 855397390 /nfs/dbraw/zinc/39/73/90/855397390.db2.gz GZVSEBKHFQVLPM-UHFFFAOYSA-N -1 1 405.195 4.140 20 30 HIEDMM Cc1cc(OCc2cccc(F)c2)ccc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427198144 856708081 /nfs/dbraw/zinc/70/80/81/856708081.db2.gz NLOIRRKWEDIHSU-UHFFFAOYSA-N -1 1 411.458 4.089 20 30 HIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3c(c2)nc2n(c3=O)CCCCC2)s1 ZINC000430648457 858247118 /nfs/dbraw/zinc/24/71/18/858247118.db2.gz RANRVHPUGXJVON-INIZCTEOSA-N -1 1 420.538 4.367 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3C)c2)cc1 ZINC000431832162 858832032 /nfs/dbraw/zinc/83/20/32/858832032.db2.gz FVMNQMSTYLGZAS-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1Br ZINC000432774570 859354866 /nfs/dbraw/zinc/35/48/66/859354866.db2.gz COEDILZSGUDRTR-UHFFFAOYSA-N -1 1 418.272 4.140 20 30 HIEDMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc21 ZINC000435156496 860669302 /nfs/dbraw/zinc/66/93/02/860669302.db2.gz XHMPUTKSOYRQCG-UHFFFAOYSA-N -1 1 408.405 4.308 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(COc3ccc(CC#N)cc3)c2)ccc1C#N ZINC000435756333 861035486 /nfs/dbraw/zinc/03/54/86/861035486.db2.gz QBIBUFYQMIVGOO-UHFFFAOYSA-N -1 1 417.490 4.313 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1Br ZINC000438796540 864287810 /nfs/dbraw/zinc/28/78/10/864287810.db2.gz YOAIBSNZZAWZOB-UHFFFAOYSA-N -1 1 409.305 4.241 20 30 HIEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc3ccccc32)ccc1OCC(F)(F)F ZINC000439566680 864890035 /nfs/dbraw/zinc/89/00/35/864890035.db2.gz GUMFMGFBACCBAK-UHFFFAOYSA-N -1 1 406.385 4.453 20 30 HIEDMM CCCOc1ccc(Oc2ncccc2CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442725834 867651210 /nfs/dbraw/zinc/65/12/10/867651210.db2.gz BBKMAIMHLQLZRR-UHFFFAOYSA-N -1 1 403.438 4.170 20 30 HIEDMM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(C#N)c([O-])c1)CC2 ZINC000442896566 867728369 /nfs/dbraw/zinc/72/83/69/867728369.db2.gz ZHQDEBNRMIQLSW-DEOSSOPVSA-N -1 1 414.461 4.069 20 30 HIEDMM CSc1nc(C2CC2)cc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1C#N ZINC000442930853 867747845 /nfs/dbraw/zinc/74/78/45/867747845.db2.gz INUQKOPONCLCGR-UHFFFAOYSA-N -1 1 409.389 4.409 20 30 HIEDMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)cc2F)c1 ZINC000443417766 868002822 /nfs/dbraw/zinc/00/28/22/868002822.db2.gz XMNOHBOZGOOJFW-UHFFFAOYSA-N -1 1 424.379 4.011 20 30 HIEDMM N#CCc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000446989871 870879812 /nfs/dbraw/zinc/87/98/12/870879812.db2.gz OIXOOOCULWCBGS-UHFFFAOYSA-N -1 1 419.222 4.335 20 30 HIEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000446993657 870881110 /nfs/dbraw/zinc/88/11/10/870881110.db2.gz KLKRCOYTRPRNRX-UHFFFAOYSA-N -1 1 419.222 4.449 20 30 HIEDMM N#C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccc(C(F)(F)F)c1 ZINC000461119468 874045462 /nfs/dbraw/zinc/04/54/62/874045462.db2.gz YFRQYYJLFXVRKR-JTQLQIEISA-N -1 1 414.352 4.329 20 30 HIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000462101153 875210355 /nfs/dbraw/zinc/21/03/55/875210355.db2.gz KLVOBDBQXZPKQE-UHFFFAOYSA-N -1 1 401.385 4.339 20 30 HIEDMM N#CC(=C([O-])c1cnn(-c2ccncc2)c1C(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464423386 877632810 /nfs/dbraw/zinc/63/28/10/877632810.db2.gz ZCWIUBAOZVLEHU-GFCCVEGCSA-N -1 1 407.302 4.109 20 30 HIEDMM O=S(=O)([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccccc1OC(F)F ZINC000503991228 912900451 /nfs/dbraw/zinc/90/04/51/912900451.db2.gz BOKJCJGEBHKAKW-ZDUSSCGKSA-N -1 1 417.302 4.148 20 30 HIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC ZINC000473771538 888569901 /nfs/dbraw/zinc/56/99/01/888569901.db2.gz CYLCABAINZFBMG-UHFFFAOYSA-N -1 1 400.500 4.267 20 30 HIEDMM Cc1nc(CC2CC2)sc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000475029014 889881006 /nfs/dbraw/zinc/88/10/06/889881006.db2.gz HSMGITJQVBDIDK-ZDUSSCGKSA-N -1 1 424.551 4.483 20 30 HIEDMM Cc1cc(OCc2cccc(C#N)c2)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475789634 890729576 /nfs/dbraw/zinc/72/95/76/890729576.db2.gz SOWHKGFIXALJGC-UHFFFAOYSA-N -1 1 417.490 4.313 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000475801051 890737387 /nfs/dbraw/zinc/73/73/87/890737387.db2.gz YYZZASWPMCNLLZ-UHFFFAOYSA-N -1 1 406.442 4.236 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000475819359 890753109 /nfs/dbraw/zinc/75/31/09/890753109.db2.gz LYOLIZGHVNJGPI-HHHXNRCGSA-N -1 1 416.568 4.135 20 30 HIEDMM Cc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000504960653 913700348 /nfs/dbraw/zinc/70/03/48/913700348.db2.gz AJNVYLOHXVQIDB-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000479472253 894794963 /nfs/dbraw/zinc/79/49/63/894794963.db2.gz WRYPYOGRQDTCGL-NSHDSACASA-N -1 1 424.931 4.399 20 30 HIEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccc(OC(F)(F)F)cc3)nc(=O)c2c1C ZINC000505473317 914147077 /nfs/dbraw/zinc/14/70/77/914147077.db2.gz HZSOBSMEHLZSIL-LBPRGKRZSA-N -1 1 422.388 4.158 20 30 HIEDMM C=CCC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000490032561 903735208 /nfs/dbraw/zinc/73/52/08/903735208.db2.gz QILFQBLIDYRNAN-UHFFFAOYSA-N -1 1 400.544 4.436 20 30 HIEDMM N#CC(=C([O-])c1ccc(Br)c2c1OCCC2)c1cnc2ccccc2n1 ZINC000490861196 904291426 /nfs/dbraw/zinc/29/14/26/904291426.db2.gz WBVHQRYRTPQDIN-AWEZNQCLSA-N -1 1 408.255 4.207 20 30 HIEDMM N#CC(=C([O-])c1ccc(N2CCCCCC2)nc1)c1nc(-c2ccncc2)cs1 ZINC000512963466 921441298 /nfs/dbraw/zinc/44/12/98/921441298.db2.gz FFQFSVROGGOXQG-GOSISDBHSA-N -1 1 403.511 4.471 20 30 HIEDMM Cc1nnc(Sc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)c(C)c2)s1 ZINC000513364402 921739577 /nfs/dbraw/zinc/73/95/77/921739577.db2.gz NSHHYBNPVCNKIJ-UHFFFAOYSA-N -1 1 416.553 4.287 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000513389875 921762070 /nfs/dbraw/zinc/76/20/70/921762070.db2.gz LHZGJQZSUTXYRY-UHFFFAOYSA-N -1 1 421.453 4.257 20 30 HIEDMM Cc1c(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)oc2c1C(=O)CCC2 ZINC000513692755 922014070 /nfs/dbraw/zinc/01/40/70/922014070.db2.gz TYBMPBZXPWZDAA-GFCCVEGCSA-N -1 1 421.478 4.186 20 30 HIEDMM C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc([O-])cc1 ZINC000514517899 922669446 /nfs/dbraw/zinc/66/94/46/922669446.db2.gz UCWQSUCLAVTUFW-UHFFFAOYSA-N -1 1 415.902 4.377 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(-n4cccn4)c3)n2)cc1 ZINC000515909196 923427280 /nfs/dbraw/zinc/42/72/80/923427280.db2.gz JGOXNKIADVKURP-IBGZPJMESA-N -1 1 400.463 4.494 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(NC(=O)c3ccccc3)cc2)n1 ZINC000516795712 923890063 /nfs/dbraw/zinc/89/00/63/923890063.db2.gz VUVQNPWHEXWQFB-QGZVFWFLSA-N -1 1 419.462 4.062 20 30 HIEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(F)c(C#N)c3)c2)c1 ZINC000524497765 929645108 /nfs/dbraw/zinc/64/51/08/929645108.db2.gz YERWXYMQYXXBOO-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)c(Br)c1 ZINC000530284584 930675305 /nfs/dbraw/zinc/67/53/05/930675305.db2.gz NEAUFYZVAURQLW-UHFFFAOYSA-N -1 1 419.222 4.335 20 30 HIEDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000535401477 933117597 /nfs/dbraw/zinc/11/75/97/933117597.db2.gz IWQVWYCGZJXLCK-UHFFFAOYSA-N -1 1 407.373 4.341 20 30 HIEDMM COCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)c(F)c2)cc1 ZINC000540294964 939184998 /nfs/dbraw/zinc/18/49/98/939184998.db2.gz XIFZNHDKVYEAQI-UHFFFAOYSA-N -1 1 412.442 4.437 20 30 HIEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000541302732 939490137 /nfs/dbraw/zinc/49/01/37/939490137.db2.gz CRJOKTAOJZXZOE-ZDUSSCGKSA-N -1 1 412.483 4.383 20 30 HIEDMM O=C(CCOCC(F)(F)F)[N-][C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000542063856 939701914 /nfs/dbraw/zinc/70/19/14/939701914.db2.gz OBQNNXQVONCPFT-LLVKDONJSA-N -1 1 413.236 4.274 20 30 HIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000544098216 940326221 /nfs/dbraw/zinc/32/62/21/940326221.db2.gz BGJBVTZFFJREBN-UHFFFAOYSA-N -1 1 415.446 4.105 20 30 HIEDMM C[C@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(C#N)cc1 ZINC000545513738 940572628 /nfs/dbraw/zinc/57/26/28/940572628.db2.gz WPZGYNYENJQTJF-INIZCTEOSA-N -1 1 420.494 4.242 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3noc(C4CCCCC4)n3)CCCCCC2)o1 ZINC000553532741 941903767 /nfs/dbraw/zinc/90/37/67/941903767.db2.gz DANUUPHYTMZHJG-UHFFFAOYSA-N -1 1 418.519 4.110 20 30 HIEDMM CC1(C)COc2ccc(C(=O)[C@@H](C#N)c3nc(=O)c4c5c(sc4[n-]3)CCCC5)cc21 ZINC000569044462 946807360 /nfs/dbraw/zinc/80/73/60/946807360.db2.gz ZMXUHDNKNPGGMZ-CQSZACIVSA-N -1 1 419.506 4.436 20 30 HIEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 ZINC000007227449 845288646 /nfs/dbraw/zinc/28/86/46/845288646.db2.gz IRTYOMTYEJKDCK-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM CCCc1cc(=O)[n-]c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)n1 ZINC000011438398 845795743 /nfs/dbraw/zinc/79/57/43/845795743.db2.gz UYELDSIGLPLEAI-UHFFFAOYSA-N -1 1 404.923 4.136 20 30 HIEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000015028946 846001644 /nfs/dbraw/zinc/00/16/44/846001644.db2.gz CANBPIKXKLRGKM-UHFFFAOYSA-N -1 1 423.469 4.253 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C#N)cc3)ccc2C)c1 ZINC000015950443 846104255 /nfs/dbraw/zinc/10/42/55/846104255.db2.gz IMWJCHJRFKRAET-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)CCc3ccccc3OC)nc2C)n[n-]c1=S ZINC000025575692 847003740 /nfs/dbraw/zinc/00/37/40/847003740.db2.gz MSCVRIWTJZYVIA-UHFFFAOYSA-N -1 1 415.544 4.139 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)n2)n[n-]c1=S ZINC000026094448 847082947 /nfs/dbraw/zinc/08/29/47/847082947.db2.gz GNQBXAMYEUBTOU-LSDHHAIUSA-N -1 1 415.519 4.055 20 30 HIEDMM N#CC(=C([O-])c1ccc(CNC(N)=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514944 848224703 /nfs/dbraw/zinc/22/47/03/848224703.db2.gz MMQLUAGEIUCHBQ-INIZCTEOSA-N -1 1 410.886 4.122 20 30 HIEDMM N#CCCCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436686947 861894399 /nfs/dbraw/zinc/89/43/99/861894399.db2.gz GDKPPKSJJFWNMJ-UHFFFAOYSA-N -1 1 406.269 4.375 20 30 HIEDMM C=CCN(CCC#N)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436839633 862017915 /nfs/dbraw/zinc/01/79/15/862017915.db2.gz OPCOTCWTWOIQPI-UHFFFAOYSA-N -1 1 418.280 4.493 20 30 HIEDMM N#Cc1ccsc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000052033682 849545042 /nfs/dbraw/zinc/54/50/42/849545042.db2.gz KSCXZUVBEOGKKU-UHFFFAOYSA-N -1 1 417.899 4.326 20 30 HIEDMM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000437005667 862180400 /nfs/dbraw/zinc/18/04/00/862180400.db2.gz YSUIJAPFBLUBSR-QGZVFWFLSA-N -1 1 423.822 4.087 20 30 HIEDMM C=CCCO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000109251281 852941953 /nfs/dbraw/zinc/94/19/53/852941953.db2.gz JOIPIVHOXYBIOV-CQSZACIVSA-N -1 1 408.907 4.061 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3ccccc3OCC)nc2C)n[n-]c1=S ZINC000111200872 853221682 /nfs/dbraw/zinc/22/16/82/853221682.db2.gz CWDDDSJBIIFNCY-UHFFFAOYSA-N -1 1 401.517 4.210 20 30 HIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000321706088 855391559 /nfs/dbraw/zinc/39/15/59/855391559.db2.gz UQMXASCORACLNJ-UHFFFAOYSA-N -1 1 405.195 4.140 20 30 HIEDMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000410396076 855972106 /nfs/dbraw/zinc/97/21/06/855972106.db2.gz GGENLUSUJGENRP-UHFFFAOYSA-N -1 1 408.321 4.332 20 30 HIEDMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000410415932 855984360 /nfs/dbraw/zinc/98/43/60/855984360.db2.gz FRIGIJLQLDCRLZ-UHFFFAOYSA-N -1 1 420.416 4.087 20 30 HIEDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1 ZINC000427126655 856654977 /nfs/dbraw/zinc/65/49/77/856654977.db2.gz QLMPMNPEYRAIFV-NSHDSACASA-N -1 1 401.492 4.148 20 30 HIEDMM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427214059 856716099 /nfs/dbraw/zinc/71/60/99/856716099.db2.gz VJDDXUVBFLNIJP-UHFFFAOYSA-N -1 1 423.425 4.171 20 30 HIEDMM C=C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000428040283 857052683 /nfs/dbraw/zinc/05/26/83/857052683.db2.gz JEBSEKIGRBRPBK-IBGZPJMESA-N -1 1 414.527 4.067 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3C)c2)cc1F ZINC000431852581 858839736 /nfs/dbraw/zinc/83/97/36/858839736.db2.gz XTVYVWXXEFSETN-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM Cc1c(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)ccc1Br ZINC000432642055 859268302 /nfs/dbraw/zinc/26/83/02/859268302.db2.gz KRWQTSSQDSAHCP-UHFFFAOYSA-N -1 1 403.660 4.223 20 30 HIEDMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432760880 859340260 /nfs/dbraw/zinc/34/02/60/859340260.db2.gz PVJCMWRXWWCWGM-UHFFFAOYSA-N -1 1 409.305 4.047 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc1Br ZINC000432776371 859354896 /nfs/dbraw/zinc/35/48/96/859354896.db2.gz NLGNUDFUGDBBHW-UHFFFAOYSA-N -1 1 402.273 4.117 20 30 HIEDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435158992 860669993 /nfs/dbraw/zinc/66/99/93/860669993.db2.gz ODSYIYCQHHTWOY-UHFFFAOYSA-N -1 1 411.405 4.035 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)ccc1C#N ZINC000435762915 861041921 /nfs/dbraw/zinc/04/19/21/861041921.db2.gz UPLWSLCQYGAPSB-UHFFFAOYSA-N -1 1 404.451 4.035 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C(=O)NC4CC4)c3)n2)cc1 ZINC000439641149 864968027 /nfs/dbraw/zinc/96/80/27/864968027.db2.gz FHIHEOZWJOFSCS-LJQANCHMSA-N -1 1 417.490 4.201 20 30 HIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(N4CCNC4=O)c3C)n2)cc1 ZINC000442668457 867604598 /nfs/dbraw/zinc/60/45/98/867604598.db2.gz APPFMGGPNSSCOC-GOSISDBHSA-N -1 1 416.506 4.447 20 30 HIEDMM C=C[C@@](C)(CC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000442897567 867727942 /nfs/dbraw/zinc/72/79/42/867727942.db2.gz IBPPNOBWVHKZML-FQEVSTJZSA-N -1 1 417.487 4.245 20 30 HIEDMM C=C[C@](C)(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000443334774 867910739 /nfs/dbraw/zinc/91/07/39/867910739.db2.gz NBMQEXZSRYUBCJ-OAQYLSRUSA-N -1 1 418.515 4.045 20 30 HIEDMM N#CC(=C([O-])c1cc(Br)cc([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC000464414227 877620096 /nfs/dbraw/zinc/62/00/96/877620096.db2.gz ICIJDFAHOXGXKE-GFCCVEGCSA-N -1 1 414.137 4.261 20 30 HIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccc(Cl)cc1 ZINC000473485610 888206526 /nfs/dbraw/zinc/20/65/26/888206526.db2.gz AJATYVMLHRTYKV-MRXNPFEDSA-N -1 1 403.873 4.465 20 30 HIEDMM C=CCCC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000474199292 889037144 /nfs/dbraw/zinc/03/71/44/889037144.db2.gz QLURJQLIXQMDBZ-UHFFFAOYSA-N -1 1 406.454 4.451 20 30 HIEDMM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000474350722 889228215 /nfs/dbraw/zinc/22/82/15/889228215.db2.gz KYMVYMWBOZWUNG-UHFFFAOYSA-N -1 1 417.469 4.408 20 30 HIEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1C#N ZINC000476511527 891424456 /nfs/dbraw/zinc/42/44/56/891424456.db2.gz MRTKHRIFNNJBCX-UHFFFAOYSA-N -1 1 401.451 4.176 20 30 HIEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c2ccccc12 ZINC000476517798 891431282 /nfs/dbraw/zinc/43/12/82/891431282.db2.gz WBGZGVPTNQLMFT-UHFFFAOYSA-N -1 1 423.494 4.282 20 30 HIEDMM CC[C@@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC000478794270 894070259 /nfs/dbraw/zinc/07/02/59/894070259.db2.gz FMBKXWCCMHJMNZ-SFHVURJKSA-N -1 1 413.543 4.125 20 30 HIEDMM N#CC(=C([O-])c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)c1nc2ccccc2s1 ZINC000483444690 899079519 /nfs/dbraw/zinc/07/95/19/899079519.db2.gz WVOHBKSRBKBFQT-LLVKDONJSA-N -1 1 416.384 4.404 20 30 HIEDMM N#Cc1ccc(CN(C(=O)c2c([O-])cnc3c(Br)cccc32)C2CC2)cc1 ZINC000485666660 900917211 /nfs/dbraw/zinc/91/72/11/900917211.db2.gz FKHLVFGPPTUDBQ-UHFFFAOYSA-N -1 1 422.282 4.379 20 30 HIEDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)cc2)c1 ZINC000486494636 901647575 /nfs/dbraw/zinc/64/75/75/901647575.db2.gz MSIZLMJBOTWJJY-UHFFFAOYSA-N -1 1 410.451 4.169 20 30 HIEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)c(C#N)c2)cc1 ZINC000488388843 902798163 /nfs/dbraw/zinc/79/81/63/902798163.db2.gz SVYSQZOKEPJKPJ-UHFFFAOYSA-N -1 1 407.451 4.110 20 30 HIEDMM N#CC(=C([O-])c1cnn(-c2ccncc2)c1C(F)F)c1nc(-c2ccncc2)cs1 ZINC000490777993 904228190 /nfs/dbraw/zinc/22/81/90/904228190.db2.gz WNTSLSFZVNNXRO-AWEZNQCLSA-N -1 1 422.420 4.213 20 30 HIEDMM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1cc(C(F)(F)F)ccc1F ZINC000509391001 918056004 /nfs/dbraw/zinc/05/60/04/918056004.db2.gz JXLOZAVVZOTDRL-UHFFFAOYSA-N -1 1 403.275 4.386 20 30 HIEDMM Cc1cc(NC(=O)c2ccco2)sc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000513672658 921995151 /nfs/dbraw/zinc/99/51/51/921995151.db2.gz SVQXEBZGCMUJNP-CYBMUJFWSA-N -1 1 404.451 4.279 20 30 HIEDMM CSc1nc(C)c(CCC(=O)Nc2cccc(C#Cc3ccccc3)c2)c(=O)[n-]1 ZINC000514939644 922847839 /nfs/dbraw/zinc/84/78/39/922847839.db2.gz XQWYXXUPMWVAEE-UHFFFAOYSA-N -1 1 403.507 4.184 20 30 HIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4cc(F)ccc4F)nc3c2)c1 ZINC000515633485 923235266 /nfs/dbraw/zinc/23/52/66/923235266.db2.gz OTTWCWJJFKNDBN-UHFFFAOYSA-N -1 1 410.405 4.181 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(N4CCCC4=O)c3)n2)cc1 ZINC000517800827 926842421 /nfs/dbraw/zinc/84/24/21/926842421.db2.gz KVLSLODWESUZRL-LJQANCHMSA-N -1 1 417.490 4.436 20 30 HIEDMM C=CCN(CCc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000521041093 928953415 /nfs/dbraw/zinc/95/34/15/928953415.db2.gz HPPKRPRGSWXOLX-UHFFFAOYSA-N -1 1 420.534 4.358 20 30 HIEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000539952684 938980992 /nfs/dbraw/zinc/98/09/92/938980992.db2.gz PIQLJJDZCGXYQU-UHFFFAOYSA-N -1 1 411.724 4.382 20 30 HIEDMM N#Cc1ccccc1S(=O)(=O)[N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000540482307 939270246 /nfs/dbraw/zinc/27/02/46/939270246.db2.gz HOPAWFPTSPZZLO-AWEZNQCLSA-N -1 1 408.323 4.159 20 30 HIEDMM O=C(CCOCC(F)(F)F)[N-][C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000542063858 939701858 /nfs/dbraw/zinc/70/18/58/939701858.db2.gz OBQNNXQVONCPFT-NSHDSACASA-N -1 1 413.236 4.274 20 30 HIEDMM CCC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000542129241 939723656 /nfs/dbraw/zinc/72/36/56/939723656.db2.gz PFLFZZPVYGPNAJ-OAHLLOKOSA-N -1 1 405.479 4.358 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1C(F)(F)F ZINC000543147959 939972286 /nfs/dbraw/zinc/97/22/86/939972286.db2.gz CHCRUCJTTDQNGN-UHFFFAOYSA-N -1 1 406.332 4.022 20 30 HIEDMM C=C(C)COc1cccc(NC(=O)c2ccc(I)c([O-])c2)c1 ZINC000546167240 940720157 /nfs/dbraw/zinc/72/01/57/940720157.db2.gz XRRMLXMHPGGPBL-UHFFFAOYSA-N -1 1 409.223 4.204 20 30 HIEDMM N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1Cl ZINC000547972020 941081364 /nfs/dbraw/zinc/08/13/64/941081364.db2.gz NSRVJJUCUBPJGQ-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc4ccccc4c(=O)n3C)n2)cc1 ZINC000556894455 942955449 /nfs/dbraw/zinc/95/54/49/942955449.db2.gz AUSUHASEHYVSDB-GOSISDBHSA-N -1 1 415.474 4.161 20 30 HIEDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000558589157 943611269 /nfs/dbraw/zinc/61/12/69/943611269.db2.gz KVVLESQZONWUHN-UHFFFAOYSA-N -1 1 404.797 4.178 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)(C)CCC#N)cc2)cc1C ZINC000561731968 944768441 /nfs/dbraw/zinc/76/84/41/944768441.db2.gz GRAALFDDEXFFNV-UHFFFAOYSA-N -1 1 413.543 4.164 20 30 HIEDMM C=CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000561978068 944883252 /nfs/dbraw/zinc/88/32/52/944883252.db2.gz XRUFDGPYEWSICX-UHFFFAOYSA-N -1 1 422.909 4.318 20 30 HIEDMM COc1cc(-c2noc(-c3ccc(C#N)c(Cl)c3)n2)cc(Br)c1[O-] ZINC000568444159 946550607 /nfs/dbraw/zinc/55/06/07/946550607.db2.gz SWCPKRLNQICBMX-UHFFFAOYSA-N -1 1 406.623 4.405 20 30 HIEDMM C[C@@](C#N)(NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CCCCC1 ZINC000571034461 947451885 /nfs/dbraw/zinc/45/18/85/947451885.db2.gz VPVRXZVWZLKNDJ-QFIPXVFZSA-N -1 1 411.527 4.080 20 30 HIEDMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000436209855 861510878 /nfs/dbraw/zinc/51/08/78/861510878.db2.gz YHKHHMRAHLWJAW-LLVKDONJSA-N -1 1 402.545 4.066 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C#N)c3)ccc2C)c1 ZINC000010897047 845723866 /nfs/dbraw/zinc/72/38/66/845723866.db2.gz ONTSWVYVAWQVQP-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM C#Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(OCC)cc3)c2)c1 ZINC000023388691 846693610 /nfs/dbraw/zinc/69/36/10/846693610.db2.gz XZSUICKGBCSVCX-UHFFFAOYSA-N -1 1 420.490 4.120 20 30 HIEDMM CC(C)[C@@H](C#N)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436554655 861848640 /nfs/dbraw/zinc/84/86/40/861848640.db2.gz GWTNWJNIWXWBNA-MRXNPFEDSA-N -1 1 406.269 4.229 20 30 HIEDMM Cc1ccc(F)c(S(=O)(=O)[N-]C2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000032434509 848025427 /nfs/dbraw/zinc/02/54/27/848025427.db2.gz HWCZGTFKDCJBKM-UWVGGRQHSA-N -1 1 407.351 4.322 20 30 HIEDMM CCOc1cc(-c2noc(Cc3c(F)cccc3C#N)n2)cc(Br)c1[O-] ZINC000436683753 861893665 /nfs/dbraw/zinc/89/36/65/861893665.db2.gz VMPABSMUIXLNNJ-UHFFFAOYSA-N -1 1 418.222 4.205 20 30 HIEDMM N#C[C@H](C(=O)c1csc2c1CCCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707290 848915088 /nfs/dbraw/zinc/91/50/88/848915088.db2.gz FLTSWEGCJMNZDW-CYBMUJFWSA-N -1 1 409.536 4.294 20 30 HIEDMM N#CCc1ccc(OCc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)cc1 ZINC000055629989 850083817 /nfs/dbraw/zinc/08/38/17/850083817.db2.gz UACLFHIHKWRQFQ-UHFFFAOYSA-N -1 1 403.463 4.004 20 30 HIEDMM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055651361 850096920 /nfs/dbraw/zinc/09/69/20/850096920.db2.gz MXKDIBKOKFSDNE-CQSZACIVSA-N -1 1 417.918 4.027 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000057121815 850554029 /nfs/dbraw/zinc/55/40/29/850554029.db2.gz VMRDLBIRRICVBR-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM Cc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000064070267 851824287 /nfs/dbraw/zinc/82/42/87/851824287.db2.gz UTYYLMFUDDROCY-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM Cc1ccc(C#N)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000064070451 851824338 /nfs/dbraw/zinc/82/43/38/851824338.db2.gz VXFVJCMDYKRFQI-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM CC(=O)N(c1nc(/C=C2\Oc3cc([O-])ccc3C2=O)cs1)c1ccc(F)cc1F ZINC000071813693 852410328 /nfs/dbraw/zinc/41/03/28/852410328.db2.gz UUUMBXFFRCBWFT-WSVATBPTSA-N -1 1 414.389 4.428 20 30 HIEDMM C=C1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000111072941 853197974 /nfs/dbraw/zinc/19/79/74/853197974.db2.gz DHYPJFRHFSFJSU-UHFFFAOYSA-N -1 1 424.444 4.298 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3ccccc3OC(F)F)nc2C)n[n-]c1=S ZINC000111191845 853219605 /nfs/dbraw/zinc/21/96/05/853219605.db2.gz XMZYMRLVLBLQIG-UHFFFAOYSA-N -1 1 423.470 4.412 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3c[nH]nc3-c3ccccc3)nc2C)n[n-]c1=S ZINC000111199805 853220776 /nfs/dbraw/zinc/22/07/76/853220776.db2.gz FMOFHWWGZXAQBT-UHFFFAOYSA-N -1 1 423.527 4.201 20 30 HIEDMM CCOc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000115773204 853264217 /nfs/dbraw/zinc/26/42/17/853264217.db2.gz MNSWNJMCHMGHCP-UHFFFAOYSA-N -1 1 421.478 4.010 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1C(F)(F)F ZINC000321348050 855390569 /nfs/dbraw/zinc/39/05/69/855390569.db2.gz BMIOLRVUNIQLDY-UHFFFAOYSA-N -1 1 405.195 4.140 20 30 HIEDMM NC(=O)CCCC(=O)[N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000427455800 856827756 /nfs/dbraw/zinc/82/77/56/856827756.db2.gz DVLYALZXINWPQX-LBPRGKRZSA-N -1 1 424.263 4.099 20 30 HIEDMM C=CCCCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000427791714 856956953 /nfs/dbraw/zinc/95/69/53/856956953.db2.gz YALVLHNGCLDNOI-UHFFFAOYSA-N -1 1 402.394 4.259 20 30 HIEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000431195259 858498318 /nfs/dbraw/zinc/49/83/18/858498318.db2.gz XDAZOBMALKGHND-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1C#N ZINC000435137203 860659365 /nfs/dbraw/zinc/65/93/65/860659365.db2.gz BXLZOQGENSGQKA-UHFFFAOYSA-N -1 1 413.268 4.048 20 30 HIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435166159 860674012 /nfs/dbraw/zinc/67/40/12/860674012.db2.gz PRDVVJDWVDERIU-UHFFFAOYSA-N -1 1 409.389 4.060 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(Cl)c2)ccc1C#N ZINC000435718489 861002781 /nfs/dbraw/zinc/00/27/81/861002781.db2.gz XGDKDCZTEZZLON-UHFFFAOYSA-N -1 1 415.858 4.166 20 30 HIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438755276 864247003 /nfs/dbraw/zinc/24/70/03/864247003.db2.gz MPVFTRZBZFNCRB-UHFFFAOYSA-N -1 1 412.284 4.083 20 30 HIEDMM Cc1c(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cnn1CCC(C)C ZINC000442072700 867103029 /nfs/dbraw/zinc/10/30/29/867103029.db2.gz GXYBVAUNBNOBKL-OAHLLOKOSA-N -1 1 423.542 4.317 20 30 HIEDMM Cc1cc(OCc2cccc(C#N)c2)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442320874 867326194 /nfs/dbraw/zinc/32/61/94/867326194.db2.gz FBNMEBLGJAYXAS-UHFFFAOYSA-N -1 1 423.450 4.155 20 30 HIEDMM COc1cc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)ccc1OCc1ccccc1 ZINC000442862280 867702829 /nfs/dbraw/zinc/70/28/29/867702829.db2.gz FPUOSRMOFQQACR-UHFFFAOYSA-N -1 1 402.450 4.124 20 30 HIEDMM N#Cc1ccc(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1[O-] ZINC000443274170 867887144 /nfs/dbraw/zinc/88/71/44/867887144.db2.gz JEEQRCRSJAXPOY-UHFFFAOYSA-N -1 1 403.385 4.336 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000443348344 867919097 /nfs/dbraw/zinc/91/90/97/867919097.db2.gz UDQJWFGXZBGKJJ-UHFFFAOYSA-N -1 1 400.862 4.121 20 30 HIEDMM COc1cc(-c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)cc(Br)c1[O-] ZINC000445391047 869477454 /nfs/dbraw/zinc/47/74/54/869477454.db2.gz JNVKADSCEKIUQX-UHFFFAOYSA-N -1 1 412.243 4.435 20 30 HIEDMM COc1cc(C)c(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1OC ZINC000447239647 871125458 /nfs/dbraw/zinc/12/54/58/871125458.db2.gz TXEYJHYDWXRFCC-AWEZNQCLSA-N -1 1 423.494 4.091 20 30 HIEDMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(C#N)c1 ZINC000462289091 875412952 /nfs/dbraw/zinc/41/29/52/875412952.db2.gz LOLYFSOWULUSQY-MRXNPFEDSA-N -1 1 405.479 4.101 20 30 HIEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](c1cccc2ccccc21)C(F)(F)F ZINC000464216173 877384885 /nfs/dbraw/zinc/38/48/85/877384885.db2.gz UESDPPQTUKQOER-LJQANCHMSA-N -1 1 420.412 4.302 20 30 HIEDMM C=CCCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000469899039 884088736 /nfs/dbraw/zinc/08/87/36/884088736.db2.gz QWUHJRXHNUSOSK-UHFFFAOYSA-N -1 1 413.326 4.442 20 30 HIEDMM C[C@@H](C(=O)[N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N(C)CC(F)(F)F ZINC000503958572 912884903 /nfs/dbraw/zinc/88/49/03/912884903.db2.gz FDEDEPUQVZPWCO-GZMMTYOYSA-N -1 1 410.280 4.308 20 30 HIEDMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000475742847 890686295 /nfs/dbraw/zinc/68/62/95/890686295.db2.gz CJLOVNHCPUYXSI-UHFFFAOYSA-N -1 1 418.780 4.038 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(Br)ccc1N1CCCC1 ZINC000477373924 892335138 /nfs/dbraw/zinc/33/51/38/892335138.db2.gz AEZATDCGIYLPMV-UHFFFAOYSA-N -1 1 420.332 4.030 20 30 HIEDMM N#C[C@@H](C(=O)c1ccn(C2CCCC2)n1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000477852636 892912762 /nfs/dbraw/zinc/91/27/62/892912762.db2.gz DVQGZFCFFDFIBV-AWEZNQCLSA-N -1 1 407.499 4.077 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccc(C#N)cc3)ccc2C)c1 ZINC000505129265 913833003 /nfs/dbraw/zinc/83/30/03/913833003.db2.gz OAKLLWBCTXKDQX-UHFFFAOYSA-N -1 1 419.506 4.157 20 30 HIEDMM CC[C@@H](C)n1nc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1C ZINC000480963802 896303449 /nfs/dbraw/zinc/30/34/49/896303449.db2.gz OHKPAKFFIDQXSG-RISCZKNCSA-N -1 1 409.515 4.242 20 30 HIEDMM CN(CC(C)(C)C)C(=O)c1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000483231618 898874235 /nfs/dbraw/zinc/87/42/35/898874235.db2.gz NXUSGMLRIBYVET-SFHVURJKSA-N -1 1 400.482 4.238 20 30 HIEDMM C[C@@]([N-]C(=O)CCOCC(F)(F)C(F)(F)F)(c1ccc(F)cc1)C(F)(F)F ZINC000485642764 900894110 /nfs/dbraw/zinc/89/41/10/900894110.db2.gz KXVCUANAWBFGIP-GFCCVEGCSA-N -1 1 411.264 4.324 20 30 HIEDMM C=CCn1cccc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000488490171 902851677 /nfs/dbraw/zinc/85/16/77/902851677.db2.gz UBYYRDPGCSMJSY-UHFFFAOYSA-N -1 1 417.437 4.005 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)c(F)c1 ZINC000493369318 905095681 /nfs/dbraw/zinc/09/56/81/905095681.db2.gz ZCGNXCPBMZLFNS-UHFFFAOYSA-N -1 1 423.185 4.279 20 30 HIEDMM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000493704367 905198282 /nfs/dbraw/zinc/19/82/82/905198282.db2.gz GRDLBMAZSVCJJG-TZIWHRDSSA-N -1 1 414.527 4.024 20 30 HIEDMM CC(C)(C)Oc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nc1 ZINC000495284984 906356831 /nfs/dbraw/zinc/35/68/31/906356831.db2.gz GJSBHGSZDKDBIZ-AWEZNQCLSA-N -1 1 422.510 4.338 20 30 HIEDMM Cc1ccc(NC(=O)c2cccc(C#N)c2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000513206511 921622577 /nfs/dbraw/zinc/62/25/77/921622577.db2.gz LPAVSAJCMLNFHC-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC000502775035 911800267 /nfs/dbraw/zinc/80/02/67/911800267.db2.gz SLINRFXRMMEBON-UHFFFAOYSA-N -1 1 423.494 4.090 20 30 HIEDMM Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2)n1 ZINC000513377220 921751599 /nfs/dbraw/zinc/75/15/99/921751599.db2.gz KKNWUEBYIWCUBT-UHFFFAOYSA-N -1 1 410.524 4.226 20 30 HIEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)ccc1C ZINC000506623595 915283252 /nfs/dbraw/zinc/28/32/52/915283252.db2.gz KVAMPBJAUPIWEW-AWEZNQCLSA-N -1 1 418.540 4.224 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(COCCc2ccccc2)c1 ZINC000513400847 921769642 /nfs/dbraw/zinc/76/96/42/921769642.db2.gz DMPIJFXXOXEDEN-UHFFFAOYSA-N -1 1 406.507 4.427 20 30 HIEDMM CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)ccc2O1 ZINC000507645050 916404131 /nfs/dbraw/zinc/40/41/31/916404131.db2.gz ONFBBMUPVCQAEY-UHFFFAOYSA-N -1 1 424.400 4.122 20 30 HIEDMM N#C[C@H](C(=O)c1ccc(-c2cnco2)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000511347597 919939425 /nfs/dbraw/zinc/93/94/25/919939425.db2.gz WIYXVLOFHHPFAY-OAHLLOKOSA-N -1 1 416.462 4.421 20 30 HIEDMM N#CCc1ccc(OCc2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)cc1 ZINC000515632020 923231488 /nfs/dbraw/zinc/23/14/88/923231488.db2.gz BZRZQAPPEKGRPD-UHFFFAOYSA-N -1 1 414.433 4.411 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)CCC#N)c2)c1 ZINC000516108056 923545400 /nfs/dbraw/zinc/54/54/00/923545400.db2.gz SFDCTCCAAYNFLM-UHFFFAOYSA-N -1 1 413.543 4.164 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC3CCCC3)c(OC)c2)n1 ZINC000516352500 923681580 /nfs/dbraw/zinc/68/15/80/923681580.db2.gz OHAZOPLVFOFMPT-OAHLLOKOSA-N -1 1 414.483 4.140 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C#Cc3ccccc3)cc2)n1 ZINC000517927504 926893033 /nfs/dbraw/zinc/89/30/33/926893033.db2.gz PWSHWOZBIJOYME-IBGZPJMESA-N -1 1 400.459 4.210 20 30 HIEDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1 ZINC000518242271 927101562 /nfs/dbraw/zinc/10/15/62/927101562.db2.gz YTJBRENQSHUJBN-INIZCTEOSA-N -1 1 420.556 4.297 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc4c(C)nn(C)c4nc3C)n2)cc1 ZINC000518516498 927321585 /nfs/dbraw/zinc/32/15/85/927321585.db2.gz HGCOCPRTDZKCSF-GOSISDBHSA-N -1 1 417.494 4.207 20 30 HIEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1 ZINC000520924484 928876659 /nfs/dbraw/zinc/87/66/59/928876659.db2.gz YMHSMGMMLTWDHT-AWEZNQCLSA-N -1 1 403.529 4.230 20 30 HIEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000521712427 929382080 /nfs/dbraw/zinc/38/20/80/929382080.db2.gz IEYULFNCLUOKOM-UHFFFAOYSA-N -1 1 416.446 4.434 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(C#N)c3)c2)c1 ZINC000524497357 929644711 /nfs/dbraw/zinc/64/47/11/929644711.db2.gz LJHCTMJHMQRUSI-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(NC(=O)N(C)C)c3)n2)cc1 ZINC000525328034 930166602 /nfs/dbraw/zinc/16/66/02/930166602.db2.gz UMBMYFPCMRIZEZ-GOSISDBHSA-N -1 1 420.494 4.402 20 30 HIEDMM COc1cccc(COc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2C)c1 ZINC000535139597 932959461 /nfs/dbraw/zinc/95/94/61/932959461.db2.gz YCDOOZNCYCXDOY-UHFFFAOYSA-N -1 1 408.479 4.255 20 30 HIEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(NC(=O)c4cccs4)c(C)c3)nc1-2 ZINC000535443641 933138883 /nfs/dbraw/zinc/13/88/83/933138883.db2.gz TXMAMHAZVUQUOH-HNNXBMFYSA-N -1 1 415.478 4.379 20 30 HIEDMM C=C(C)[C@@H](CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)OCC ZINC000535905380 933481228 /nfs/dbraw/zinc/48/12/28/933481228.db2.gz IDZNVIYNLHELCG-LJQANCHMSA-N -1 1 424.469 4.075 20 30 HIEDMM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(Cl)cc1Cl ZINC000536136224 933682043 /nfs/dbraw/zinc/68/20/43/933682043.db2.gz RUAMRTKUSZZGLT-UHFFFAOYSA-N -1 1 410.204 4.388 20 30 HIEDMM Cc1csc(C(C#N)=C([O-])c2cc(Br)cc(Br)c2)n1 ZINC000539147191 938811009 /nfs/dbraw/zinc/81/10/09/938811009.db2.gz OWQFNFIWESRZFU-LLVKDONJSA-N -1 1 400.095 4.467 20 30 HIEDMM CC(=O)c1ccc(C#N)c(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000541578491 939559583 /nfs/dbraw/zinc/55/95/83/939559583.db2.gz QKNLOULMRDIFMC-UHFFFAOYSA-N -1 1 423.469 4.313 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc4ccccc4c(=O)n3C)n2)cc1 ZINC000556894465 942955794 /nfs/dbraw/zinc/95/57/94/942955794.db2.gz AUSUHASEHYVSDB-SFHVURJKSA-N -1 1 415.474 4.161 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3CC#N)c2)cc1F ZINC000565859678 945897108 /nfs/dbraw/zinc/89/71/08/945897108.db2.gz FYQBPKROVIHLOL-UHFFFAOYSA-N -1 1 423.469 4.253 20 30 HIEDMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000566598461 946053859 /nfs/dbraw/zinc/05/38/59/946053859.db2.gz QIRJJGVFXNMJTJ-UHFFFAOYSA-N -1 1 409.305 4.217 20 30 HIEDMM CCCCCc1nnc([N-]C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 ZINC000010962092 845732300 /nfs/dbraw/zinc/73/23/00/845732300.db2.gz TWWAHICUAOPZRJ-UHFFFAOYSA-N -1 1 416.406 4.425 20 30 HIEDMM C=CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000024497502 846832173 /nfs/dbraw/zinc/83/21/73/846832173.db2.gz HCJMLJGGMDEFDY-UHFFFAOYSA-N -1 1 424.497 4.455 20 30 HIEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436546150 861844430 /nfs/dbraw/zinc/84/44/30/861844430.db2.gz TZQMRDHAIYCDSY-DMZKTXOQSA-N -1 1 413.424 4.125 20 30 HIEDMM C[C@@H](CC#N)N(C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436569037 861855217 /nfs/dbraw/zinc/85/52/17/861855217.db2.gz ZATLJDRPYRMHEE-NSHDSACASA-N -1 1 406.269 4.325 20 30 HIEDMM C=C(C)CCc1noc(-c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2[O-])n1 ZINC000436686210 861894027 /nfs/dbraw/zinc/89/40/27/861894027.db2.gz NDZCNXOEEVKYIP-UHFFFAOYSA-N -1 1 409.442 4.220 20 30 HIEDMM CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436681380 861892728 /nfs/dbraw/zinc/89/27/28/861892728.db2.gz QWYQZXWVMWGPMN-UHFFFAOYSA-N -1 1 421.403 4.067 20 30 HIEDMM Cc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)n1C(C)C ZINC000047362007 849032882 /nfs/dbraw/zinc/03/28/82/849032882.db2.gz JTYHBEPWEVJMKD-MRXNPFEDSA-N -1 1 408.527 4.353 20 30 HIEDMM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000055664282 850104647 /nfs/dbraw/zinc/10/46/47/850104647.db2.gz OIQBKHGFFLLJAB-UHFFFAOYSA-N -1 1 414.433 4.411 20 30 HIEDMM CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c([O-])c1 ZINC000436981634 862158930 /nfs/dbraw/zinc/15/89/30/862158930.db2.gz RIYHRYLROBISMC-UHFFFAOYSA-N -1 1 421.497 4.406 20 30 HIEDMM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063497440 851703550 /nfs/dbraw/zinc/70/35/50/851703550.db2.gz SIUYTUSPRHOSPA-UHFFFAOYSA-N -1 1 422.626 4.432 20 30 HIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000147473584 853588824 /nfs/dbraw/zinc/58/88/24/853588824.db2.gz WRFVELOIIPBMEI-ZFWWWQNUSA-N -1 1 407.455 4.418 20 30 HIEDMM N#C[C@@H](C(=O)c1ccc(OCC2CC2)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000147800347 853594932 /nfs/dbraw/zinc/59/49/32/853594932.db2.gz ACSPDSZKUAQBDW-KRWDZBQOSA-N -1 1 419.506 4.142 20 30 HIEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cc(F)cc4nccnc43)s2)cc1 ZINC000195690964 853760875 /nfs/dbraw/zinc/76/08/75/853760875.db2.gz AFCZSIVAUMQDDG-UHFFFAOYSA-N -1 1 422.470 4.037 20 30 HIEDMM C=C[C@@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000428039111 857051653 /nfs/dbraw/zinc/05/16/53/857051653.db2.gz QCLUDFJONVAQPS-GOSISDBHSA-N -1 1 402.491 4.116 20 30 HIEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1cccc(F)c1C#N ZINC000428232146 857120850 /nfs/dbraw/zinc/12/08/50/857120850.db2.gz MIBNOHXRWFAJTN-UHFFFAOYSA-N -1 1 409.486 4.130 20 30 HIEDMM C=CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000428288145 857142529 /nfs/dbraw/zinc/14/25/29/857142529.db2.gz WCKPULWTGSVSOR-UHFFFAOYSA-N -1 1 406.507 4.412 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1Br ZINC000432765919 859344795 /nfs/dbraw/zinc/34/47/95/859344795.db2.gz OBUBNFJZKDUCCO-UHFFFAOYSA-N -1 1 420.313 4.245 20 30 HIEDMM O=S(=O)([N-][C@H](c1cc(F)ccc1F)C(F)F)c1ccc(F)cc1C(F)(F)F ZINC000432963901 859452122 /nfs/dbraw/zinc/45/21/22/859452122.db2.gz ASFVPKLQUJAUCW-CYBMUJFWSA-N -1 1 419.293 4.407 20 30 HIEDMM CC1(C)COc2c1cccc2C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000434619338 860433376 /nfs/dbraw/zinc/43/33/76/860433376.db2.gz RHDIPJSKHCYHDQ-AWEZNQCLSA-N -1 1 419.506 4.436 20 30 HIEDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435165847 860674087 /nfs/dbraw/zinc/67/40/87/860674087.db2.gz ODFCYIWPBVRPFV-UHFFFAOYSA-N -1 1 411.405 4.116 20 30 HIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000438791237 864284861 /nfs/dbraw/zinc/28/48/61/864284861.db2.gz JUZPOLPJHNQFIS-UHFFFAOYSA-N -1 1 413.268 4.072 20 30 HIEDMM N#C[C@H](C(=O)c1ccc2c(n1)CCCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000441701643 866811557 /nfs/dbraw/zinc/81/15/57/866811557.db2.gz OTFJTMBOLAUCPQ-CQSZACIVSA-N -1 1 404.495 4.040 20 30 HIEDMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)c(C#N)c3)cc2)co1 ZINC000442249373 867288463 /nfs/dbraw/zinc/28/84/63/867288463.db2.gz KGMVFXWJKFRKSB-UHFFFAOYSA-N -1 1 423.372 4.221 20 30 HIEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000442862270 867702933 /nfs/dbraw/zinc/70/29/33/867702933.db2.gz FONODBZHHCJSDX-HNNXBMFYSA-N -1 1 417.440 4.075 20 30 HIEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c1 ZINC000443373725 867935983 /nfs/dbraw/zinc/93/59/83/867935983.db2.gz XPONEJSTQNHFPG-UHFFFAOYSA-N -1 1 419.222 4.226 20 30 HIEDMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)cc2)n1 ZINC000443409780 867992248 /nfs/dbraw/zinc/99/22/48/867992248.db2.gz XPLPOXPXNMWPJL-UHFFFAOYSA-N -1 1 418.400 4.143 20 30 HIEDMM N#Cc1ccc(CSCC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cc1 ZINC000444356939 868785386 /nfs/dbraw/zinc/78/53/86/868785386.db2.gz FZZRRVQKNOPWKW-UHFFFAOYSA-N -1 1 423.538 4.198 20 30 HIEDMM C=C(C)Cn1c(SCc2nc(-c3ccc([O-])cc3F)no2)nnc1-c1ccco1 ZINC000445459261 869536085 /nfs/dbraw/zinc/53/60/85/869536085.db2.gz YZBGFUPUHQONMS-UHFFFAOYSA-N -1 1 413.434 4.301 20 30 HIEDMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1Cl)C(C)C ZINC000447262203 871141207 /nfs/dbraw/zinc/14/12/07/871141207.db2.gz CMUHVTAZWHKCGB-UHFFFAOYSA-N -1 1 419.934 4.191 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(NC(C)=O)c(F)c3)n2)cc1 ZINC000447518760 871386815 /nfs/dbraw/zinc/38/68/15/871386815.db2.gz DTYYURUSOWVVPG-INIZCTEOSA-N -1 1 409.442 4.406 20 30 HIEDMM CCc1[nH]c(-c2ccc(Cl)cc2)[nH+]c1C([O-])=C(C#N)c1nc2c([n-]1)nccc2C ZINC000447608563 871515464 /nfs/dbraw/zinc/51/54/64/871515464.db2.gz VPUYRZDFHVZFFW-AWEZNQCLSA-N -1 1 404.861 4.362 20 30 HIEDMM CCc1[nH]c(-c2ccc(Cl)cc2)[nH+]c1C([O-])=C(C#N)c1nc2c([n-]1)nccc2C ZINC000447608566 871517693 /nfs/dbraw/zinc/51/76/93/871517693.db2.gz VPUYRZDFHVZFFW-CQSZACIVSA-N -1 1 404.861 4.362 20 30 HIEDMM CC[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000468580753 882658109 /nfs/dbraw/zinc/65/81/09/882658109.db2.gz ZZBQRBDHFIYEAM-LJQANCHMSA-N -1 1 413.543 4.061 20 30 HIEDMM Cc1c(=O)[n-]c(SCC(=O)Nc2cc(Cl)ccc2C#N)nc1-c1ccccc1 ZINC000460426402 873088275 /nfs/dbraw/zinc/08/82/75/873088275.db2.gz JWZYHBASHWHFKY-UHFFFAOYSA-N -1 1 410.886 4.414 20 30 HIEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)ccc1F ZINC000460838122 873727115 /nfs/dbraw/zinc/72/71/15/873727115.db2.gz FJWZLCDRCDXKSO-UHFFFAOYSA-N -1 1 406.385 4.295 20 30 HIEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000463525592 876594998 /nfs/dbraw/zinc/59/49/98/876594998.db2.gz MLCDMQWLIWHPHN-UHFFFAOYSA-N -1 1 422.441 4.050 20 30 HIEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000464216172 877385450 /nfs/dbraw/zinc/38/54/50/877385450.db2.gz UESDPPQTUKQOER-IBGZPJMESA-N -1 1 420.412 4.302 20 30 HIEDMM Cc1nc(-c2ccccc2)sc1[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467152098 880888930 /nfs/dbraw/zinc/88/89/30/880888930.db2.gz NURITAYIKSKIJP-LBPRGKRZSA-N -1 1 419.478 4.308 20 30 HIEDMM C=CCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000469891941 884082769 /nfs/dbraw/zinc/08/27/69/884082769.db2.gz HSIBBFMHNPYXQW-UHFFFAOYSA-N -1 1 412.433 4.154 20 30 HIEDMM C=CCc1cccc(C(C)C)c1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000476797824 891782700 /nfs/dbraw/zinc/78/27/00/891782700.db2.gz UNFOWDFOTWLEEF-UHFFFAOYSA-N -1 1 402.498 4.173 20 30 HIEDMM N#Cc1ccc(Cl)c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000504949431 913688920 /nfs/dbraw/zinc/68/89/20/913688920.db2.gz PBDAGTAZKNHVFU-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM N#CC(=C([O-])c1cc(OC(F)F)cc(OC(F)F)c1)c1cnc2ccccc2n1 ZINC000483221772 898867054 /nfs/dbraw/zinc/86/70/54/898867054.db2.gz APOVINMNOCKWEB-CYBMUJFWSA-N -1 1 405.307 4.323 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(CCC#N)CC(C)(C)C)c2)c1 ZINC000494327560 905638742 /nfs/dbraw/zinc/63/87/42/905638742.db2.gz REHWNWGBXITOSY-UHFFFAOYSA-N -1 1 413.543 4.198 20 30 HIEDMM COc1cc(Cl)cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000495285800 906358072 /nfs/dbraw/zinc/35/80/72/906358072.db2.gz ZIJMTUYVPMNLET-CQSZACIVSA-N -1 1 413.886 4.428 20 30 HIEDMM Cc1sc([N-]C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)c(C#N)c1C ZINC000498309638 907833038 /nfs/dbraw/zinc/83/30/38/907833038.db2.gz JDXDSFPSCYBREO-UHFFFAOYSA-N -1 1 409.368 4.228 20 30 HIEDMM C=C(C)CCc1noc(Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000508643984 917409269 /nfs/dbraw/zinc/40/92/69/917409269.db2.gz SCQMXWRIPXTERY-UHFFFAOYSA-N -1 1 401.463 4.109 20 30 HIEDMM N#C[C@H](C(=O)c1cnc(-c2ccco2)s1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000510345160 918844032 /nfs/dbraw/zinc/84/40/32/918844032.db2.gz FLBRNDXSFHAEAY-LLVKDONJSA-N -1 1 422.491 4.482 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000511738718 920409701 /nfs/dbraw/zinc/40/97/01/920409701.db2.gz DKBYNPZGCSJARK-UHFFFAOYSA-N -1 1 424.444 4.320 20 30 HIEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@@H](C)CC#N)c1 ZINC000512076914 920842202 /nfs/dbraw/zinc/84/22/02/920842202.db2.gz NLHMYHSPGKOJCT-INIZCTEOSA-N -1 1 413.543 4.125 20 30 HIEDMM N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000513655707 921978106 /nfs/dbraw/zinc/97/81/06/921978106.db2.gz UJPNQOGPIXAQOE-NSHDSACASA-N -1 1 418.400 4.180 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3cccc(C#N)c3)c2)cc1F ZINC000520374487 928529652 /nfs/dbraw/zinc/52/96/52/928529652.db2.gz XCAREPWVFKYWGT-UHFFFAOYSA-N -1 1 423.469 4.083 20 30 HIEDMM C=CC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CC1 ZINC000524696026 929802502 /nfs/dbraw/zinc/80/25/02/929802502.db2.gz NZOCVYCKCCIQEB-UHFFFAOYSA-N -1 1 418.946 4.487 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000525366778 930199072 /nfs/dbraw/zinc/19/90/72/930199072.db2.gz OWFGCAHROBOKAD-UHFFFAOYSA-N -1 1 415.858 4.166 20 30 HIEDMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000531012424 930884395 /nfs/dbraw/zinc/88/43/95/930884395.db2.gz OWIZFZZWEDIIPA-UHFFFAOYSA-N -1 1 409.305 4.217 20 30 HIEDMM CC1CC(C#N)(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000532326409 931397795 /nfs/dbraw/zinc/39/77/95/931397795.db2.gz POMDTZMTLHHGQM-UHFFFAOYSA-N -1 1 403.891 4.019 20 30 HIEDMM Cn1c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2nc1C(C)(C)C ZINC000534059069 932237524 /nfs/dbraw/zinc/23/75/24/932237524.db2.gz KUSURGYIDXMIRD-UHFFFAOYSA-N -1 1 402.907 4.197 20 30 HIEDMM N#C[C@@H]([N-]S(=O)(=O)c1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC000538846743 938724363 /nfs/dbraw/zinc/72/43/63/938724363.db2.gz WFZTWTGUPMOWRO-CYBMUJFWSA-N -1 1 419.222 4.011 20 30 HIEDMM CCC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000542129236 939723646 /nfs/dbraw/zinc/72/36/46/939723646.db2.gz PFLFZZPVYGPNAJ-HNNXBMFYSA-N -1 1 405.479 4.358 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)c(OC3CCCC3)c2)n1 ZINC000544155731 940339594 /nfs/dbraw/zinc/33/95/94/940339594.db2.gz WRPDSDCRGCVSPL-HNNXBMFYSA-N -1 1 414.483 4.140 20 30 HIEDMM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000544817095 940516979 /nfs/dbraw/zinc/51/69/79/940516979.db2.gz JYLOKSGPTBIFGU-UHFFFAOYSA-N -1 1 409.305 4.060 20 30 HIEDMM CCN(C(=O)c1ccc(I)c([O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000544851831 940519316 /nfs/dbraw/zinc/51/93/16/940519316.db2.gz BOURFMBKNLUTBW-LBPRGKRZSA-N -1 1 420.250 4.092 20 30 HIEDMM N#CC(=C([O-])c1cc(Br)ccc1OCc1ccccc1)c1ccncn1 ZINC000545446655 940570295 /nfs/dbraw/zinc/57/02/95/940570295.db2.gz QYUNAPYHTKKAOA-KRWDZBQOSA-N -1 1 408.255 4.308 20 30 HIEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1OC(C)C ZINC000545472892 940571182 /nfs/dbraw/zinc/57/11/82/940571182.db2.gz JLONEHSEQIMUGX-UHFFFAOYSA-N -1 1 414.405 4.174 20 30 HIEDMM N#CC1([N-]S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)CCCCC1 ZINC000550013856 941265972 /nfs/dbraw/zinc/26/59/72/941265972.db2.gz SASXBASMIXPBTL-UHFFFAOYSA-N -1 1 412.136 4.261 20 30 HIEDMM N#C[C@@H](C(=O)c1csc(C(F)(F)F)n1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000551508104 941491701 /nfs/dbraw/zinc/49/17/01/941491701.db2.gz DCKZKTCNUULACZ-QMMMGPOBSA-N -1 1 424.429 4.241 20 30 HIEDMM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccc(F)cc1)c1cccnc1C(F)(F)F ZINC000557841542 943309979 /nfs/dbraw/zinc/30/99/79/943309979.db2.gz WLZKQFPMLJEJJF-LLVKDONJSA-N -1 1 416.318 4.212 20 30 HIEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000561559219 944674197 /nfs/dbraw/zinc/67/41/97/944674197.db2.gz HPDGRQSMXGDHOQ-UHFFFAOYSA-N -1 1 414.152 4.364 20 30 HIEDMM N#C[C@@H](C(=O)c1cncc(C(F)(F)F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000570317180 947199508 /nfs/dbraw/zinc/19/95/08/947199508.db2.gz ZYCKEBLMXJXWOG-LBPRGKRZSA-N -1 1 418.400 4.180 20 30 HIEDMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000436006051 861294497 /nfs/dbraw/zinc/29/44/97/861294497.db2.gz SWHZJGOJFIGTJH-UHFFFAOYSA-N -1 1 409.305 4.241 20 30 HIEDMM CCc1cc(=O)[n-]c(SCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)n1 ZINC000436189666 861490387 /nfs/dbraw/zinc/49/03/87/861490387.db2.gz RDRLLYQDBNNFNG-UHFFFAOYSA-N -1 1 407.495 4.496 20 30 HIEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(CC#N)cc3)c2)c1 ZINC000008126736 845479754 /nfs/dbraw/zinc/47/97/54/845479754.db2.gz GXFQBTLGCCTWCJ-UHFFFAOYSA-N -1 1 419.506 4.423 20 30 HIEDMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 ZINC000015739042 846088121 /nfs/dbraw/zinc/08/81/21/846088121.db2.gz PRVAVNNPVHLDOU-UHFFFAOYSA-N -1 1 421.478 4.010 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)c2)cc1 ZINC000026134743 847093918 /nfs/dbraw/zinc/09/39/18/847093918.db2.gz FWRIOCVGRWVOLD-KRWDZBQOSA-N -1 1 419.506 4.159 20 30 HIEDMM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548658 848229839 /nfs/dbraw/zinc/22/98/39/848229839.db2.gz UEWNPQRNQIBUTM-LBPRGKRZSA-N -1 1 404.373 4.296 20 30 HIEDMM CCN(C(=O)c1cc(I)ccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000436670769 861889237 /nfs/dbraw/zinc/88/92/37/861889237.db2.gz HIDPQDIEBGRXMB-GFCCVEGCSA-N -1 1 420.250 4.092 20 30 HIEDMM N#C[C@H](C(=O)c1cccc(OC(F)F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707017 848915413 /nfs/dbraw/zinc/91/54/13/848915413.db2.gz KEQAFRQQTMNEBR-CYBMUJFWSA-N -1 1 415.421 4.367 20 30 HIEDMM N#Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000047651043 849089377 /nfs/dbraw/zinc/08/93/77/849089377.db2.gz WGWGGFPMHUONBS-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)ccc1Cl ZINC000055619772 850081128 /nfs/dbraw/zinc/08/11/28/850081128.db2.gz XCVVETYSOSQQBB-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)ccc1Br ZINC000055640103 850088176 /nfs/dbraw/zinc/08/81/76/850088176.db2.gz IRNAOPVEZDOGRC-UHFFFAOYSA-N -1 1 409.305 4.241 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)ccc1Cl ZINC000055650889 850096218 /nfs/dbraw/zinc/09/62/18/850096218.db2.gz RPXLWCWEGNRXHS-UHFFFAOYSA-N -1 1 417.918 4.029 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000055688405 850113158 /nfs/dbraw/zinc/11/31/58/850113158.db2.gz NGBMANIBSDMNHH-UHFFFAOYSA-N -1 1 417.918 4.075 20 30 HIEDMM N#Cc1cccc(COc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2Cl)c1 ZINC000436981940 862159602 /nfs/dbraw/zinc/15/96/02/862159602.db2.gz DWGHLRPKYZFPEE-UHFFFAOYSA-N -1 1 406.825 4.318 20 30 HIEDMM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000437000384 862175050 /nfs/dbraw/zinc/17/50/50/862175050.db2.gz UCZWZBJCCYUQNV-OAQYLSRUSA-N -1 1 405.885 4.221 20 30 HIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)c1 ZINC000065069738 852053100 /nfs/dbraw/zinc/05/31/00/852053100.db2.gz OAKUQQNJRMTIFY-UHFFFAOYSA-N -1 1 411.527 4.014 20 30 HIEDMM C#CCN(Cc1ccc(F)cc1)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000109360419 852958986 /nfs/dbraw/zinc/95/89/86/852958986.db2.gz NMBMMTRGISUAOZ-UHFFFAOYSA-N -1 1 408.502 4.107 20 30 HIEDMM C#CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000116069425 853281135 /nfs/dbraw/zinc/28/11/35/853281135.db2.gz XGNMFMNHEIVGED-UHFFFAOYSA-N -1 1 414.502 4.035 20 30 HIEDMM Cc1nn(C)c2nc(C3CC3)cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c12 ZINC000195557372 853682780 /nfs/dbraw/zinc/68/27/80/853682780.db2.gz HUYDUUXQEKMPIB-CQSZACIVSA-N -1 1 420.423 4.389 20 30 HIEDMM Cn1c(C(C#N)=C([O-])c2ccn(-c3cccc(Br)c3)n2)nc2ccccc21 ZINC000303340961 854881384 /nfs/dbraw/zinc/88/13/84/854881384.db2.gz VOBMNOBHXXSORO-HNNXBMFYSA-N -1 1 420.270 4.012 20 30 HIEDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)cc1 ZINC000409870837 855698338 /nfs/dbraw/zinc/69/83/38/855698338.db2.gz POFPHNDCGLLIIK-UHFFFAOYSA-N -1 1 409.423 4.368 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)ccc1C(F)(F)F ZINC000410336942 855936109 /nfs/dbraw/zinc/93/61/09/855936109.db2.gz GGMHUGATXUOARM-UHFFFAOYSA-N -1 1 417.412 4.364 20 30 HIEDMM COc1ccccc1[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000426769581 856467491 /nfs/dbraw/zinc/46/74/91/856467491.db2.gz KBIALCNHSZYQIK-HSZRJFAPSA-N -1 1 402.450 4.061 20 30 HIEDMM Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2)n1 ZINC000427109037 856642689 /nfs/dbraw/zinc/64/26/89/856642689.db2.gz FPWYTLXHBCUIGW-UHFFFAOYSA-N -1 1 414.487 4.056 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)cc1F ZINC000427135243 856661787 /nfs/dbraw/zinc/66/17/87/856661787.db2.gz BHMBRHFBEDLWOJ-UHFFFAOYSA-N -1 1 410.430 4.142 20 30 HIEDMM C=C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000428045290 857053819 /nfs/dbraw/zinc/05/38/19/857053819.db2.gz PYZXUFVFNKOSPA-SFHVURJKSA-N -1 1 402.491 4.116 20 30 HIEDMM N#CCSc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000430735909 858281086 /nfs/dbraw/zinc/28/10/86/858281086.db2.gz RIBMVUWAEFDDIR-UHFFFAOYSA-N -1 1 423.519 4.355 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cscc3C#N)ccc2C)c1 ZINC000432054775 858953434 /nfs/dbraw/zinc/95/34/34/858953434.db2.gz WLQSFQIJKOWMLE-UHFFFAOYSA-N -1 1 411.508 4.290 20 30 HIEDMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)C#N)cc2)c1C ZINC000432108890 858995630 /nfs/dbraw/zinc/99/56/30/858995630.db2.gz QJVADDUMRFIGFD-HNNXBMFYSA-N -1 1 413.543 4.044 20 30 HIEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C#N)c2C)c1 ZINC000433326359 859644177 /nfs/dbraw/zinc/64/41/77/859644177.db2.gz KXVGUTZHQXUSHN-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(Cl)c2)ccc1C#N ZINC000435722110 861006901 /nfs/dbraw/zinc/00/69/01/861006901.db2.gz HJYHVCKJVRAUNR-UHFFFAOYSA-N -1 1 413.886 4.295 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](=O)Cc3ccccc3)c2)ccc1C#N ZINC000435734219 861017456 /nfs/dbraw/zinc/01/74/56/861017456.db2.gz WOUQEMGPYOKPHD-MUUNZHRXSA-N -1 1 424.547 4.116 20 30 HIEDMM N#Cc1cccc(C2(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)CC2)c1 ZINC000435796468 861068168 /nfs/dbraw/zinc/06/81/68/861068168.db2.gz ANHAWMWTCLYYQN-UHFFFAOYSA-N -1 1 417.490 4.029 20 30 HIEDMM CCOc1cc(-c2noc(-c3ccc(C#N)cc3C)n2)cc(Br)c1[O-] ZINC000439011548 864463444 /nfs/dbraw/zinc/46/34/44/864463444.db2.gz ZHNGCFWVZFESNE-UHFFFAOYSA-N -1 1 400.232 4.451 20 30 HIEDMM N#CCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000439668279 865000029 /nfs/dbraw/zinc/00/00/29/865000029.db2.gz CHAURJRVJXYJTI-QFIPXVFZSA-N -1 1 419.506 4.262 20 30 HIEDMM CSc1[n-]c(=O)c(C(=O)Nc2nc3ccccc3n2-c2ccccc2F)cc1C#N ZINC000440257557 865505069 /nfs/dbraw/zinc/50/50/69/865505069.db2.gz GGWPRUSYAXUEIO-UHFFFAOYSA-N -1 1 419.441 4.111 20 30 HIEDMM N#CC(=C([O-])c1ccc(Cl)c(N2CCNC2=O)c1)c1nc(-c2ccccc2)cs1 ZINC000442672060 867606717 /nfs/dbraw/zinc/60/67/17/867606717.db2.gz MOCMQORYIKKUEP-OAHLLOKOSA-N -1 1 422.897 4.483 20 30 HIEDMM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1-n1cncn1 ZINC000442876148 867709519 /nfs/dbraw/zinc/70/95/19/867709519.db2.gz UTLXPGSVQZEBPX-SFHVURJKSA-N -1 1 410.462 4.061 20 30 HIEDMM COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000442954305 867762716 /nfs/dbraw/zinc/76/27/16/867762716.db2.gz RBENONFWJVIBOA-INIZCTEOSA-N -1 1 401.260 4.012 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1-c1ncco1 ZINC000443414671 868001077 /nfs/dbraw/zinc/00/10/77/868001077.db2.gz GGLIJZVSJZJSKI-UHFFFAOYSA-N -1 1 407.373 4.341 20 30 HIEDMM N#CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc21 ZINC000468371309 882313709 /nfs/dbraw/zinc/31/37/09/882313709.db2.gz IRLGEVGLKBSLIR-UHFFFAOYSA-N -1 1 419.506 4.224 20 30 HIEDMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1Cl)C(C)C ZINC000447257157 871136050 /nfs/dbraw/zinc/13/60/50/871136050.db2.gz NAOMQZGPQLAZHX-UHFFFAOYSA-N -1 1 419.934 4.191 20 30 HIEDMM COCCOCc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000464181089 877351745 /nfs/dbraw/zinc/35/17/45/877351745.db2.gz DLXXAEOILBIFEJ-FQEVSTJZSA-N -1 1 417.490 4.335 20 30 HIEDMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000471934885 886730831 /nfs/dbraw/zinc/73/08/31/886730831.db2.gz PRJXUXIUDDJLDU-UHFFFAOYSA-N -1 1 409.305 4.241 20 30 HIEDMM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000471962424 886784913 /nfs/dbraw/zinc/78/49/13/886784913.db2.gz CXLRGHXPCZCZBM-UHFFFAOYSA-N -1 1 403.660 4.223 20 30 HIEDMM CC[C@@](C)(C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000504546815 913323458 /nfs/dbraw/zinc/32/34/58/913323458.db2.gz HIYSFKHJLJSDOI-IBGZPJMESA-N -1 1 405.907 4.328 20 30 HIEDMM CC[C@](C)(C#N)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OC ZINC000504605147 913359805 /nfs/dbraw/zinc/35/98/05/913359805.db2.gz INJTWGJNRXMKTP-LJQANCHMSA-N -1 1 421.906 4.028 20 30 HIEDMM N#CC1(CS(=O)(=O)[N-]C2(c3noc(C4CCCCC4)n3)CCCCCC2)CCC1 ZINC000477447761 892399769 /nfs/dbraw/zinc/39/97/69/892399769.db2.gz BJRFZUSMPMGLDC-UHFFFAOYSA-N -1 1 420.579 4.280 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CCC#N)CC(C)(C)C)cc2)cc1 ZINC000477769203 892855652 /nfs/dbraw/zinc/85/56/52/892855652.db2.gz JRVGEPHNEIRQBA-UHFFFAOYSA-N -1 1 413.543 4.198 20 30 HIEDMM N#C[C@H](C(=O)c1ccn(C2CCCC2)n1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000477852666 892913790 /nfs/dbraw/zinc/91/37/90/892913790.db2.gz DVQGZFCFFDFIBV-CQSZACIVSA-N -1 1 407.499 4.077 20 30 HIEDMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(COc2ccc(CC#N)cc2)c1 ZINC000484519330 900007644 /nfs/dbraw/zinc/00/76/44/900007644.db2.gz YSUSGOJNBUPCQO-UHFFFAOYSA-N -1 1 422.506 4.279 20 30 HIEDMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(OCc2cccc(C#N)c2)c1 ZINC000484587943 900051823 /nfs/dbraw/zinc/05/18/23/900051823.db2.gz DTFYGAPIHZOQPF-UHFFFAOYSA-N -1 1 408.479 4.084 20 30 HIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(F)c3)c(F)c2)c1 ZINC000485099420 900409534 /nfs/dbraw/zinc/40/95/34/900409534.db2.gz CLJCEBYVQGZDCA-UHFFFAOYSA-N -1 1 400.406 4.216 20 30 HIEDMM Cn1cc([C@@H]([N-]C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1 ZINC000487761468 902347237 /nfs/dbraw/zinc/34/72/37/902347237.db2.gz LVWYQAQINCTWCZ-LLVKDONJSA-N -1 1 419.247 4.491 20 30 HIEDMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CCC#N)cc2)c(C)c1C ZINC000492054099 904777307 /nfs/dbraw/zinc/77/73/07/904777307.db2.gz JHCOLWSWLKETQJ-UHFFFAOYSA-N -1 1 413.543 4.015 20 30 HIEDMM COc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1Cl ZINC000495284835 906357428 /nfs/dbraw/zinc/35/74/28/906357428.db2.gz BZAQZKLYCCDZTP-GFCCVEGCSA-N -1 1 413.886 4.428 20 30 HIEDMM C=CCN(CCc1ccco1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000496705253 906738242 /nfs/dbraw/zinc/73/82/42/906738242.db2.gz CROVCLAQMAVBMS-UHFFFAOYSA-N -1 1 424.522 4.260 20 30 HIEDMM N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000512631233 921268653 /nfs/dbraw/zinc/26/86/53/921268653.db2.gz QBGJWFHCVZIMFO-UHFFFAOYSA-N -1 1 410.433 4.485 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1C ZINC000513371069 921743990 /nfs/dbraw/zinc/74/39/90/921743990.db2.gz JTWDMKAVJPMRGR-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(=O)[n-]1 ZINC000507893550 916750196 /nfs/dbraw/zinc/75/01/96/916750196.db2.gz MUZYUCWUHLMYQN-UHFFFAOYSA-N -1 1 420.494 4.448 20 30 HIEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1 ZINC000507924401 916802095 /nfs/dbraw/zinc/80/20/95/916802095.db2.gz XWYRIDGXMLTGBA-UHFFFAOYSA-N -1 1 409.467 4.202 20 30 HIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(CC(=O)OCC)c1 ZINC000508229784 917049025 /nfs/dbraw/zinc/04/90/25/917049025.db2.gz FZZGNIGPMCLSNZ-UHFFFAOYSA-N -1 1 401.528 4.445 20 30 HIEDMM Cc1sc([N-]C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)c(C#N)c1C ZINC000508916619 917673497 /nfs/dbraw/zinc/67/34/97/917673497.db2.gz HRYSHZZEKGYXKX-UHFFFAOYSA-N -1 1 409.368 4.228 20 30 HIEDMM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1ccc(C(F)(F)F)cc1F ZINC000509388204 918054816 /nfs/dbraw/zinc/05/48/16/918054816.db2.gz POVZLZMNVBCLIG-UHFFFAOYSA-N -1 1 403.275 4.386 20 30 HIEDMM C=CCOc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000514164516 922503817 /nfs/dbraw/zinc/50/38/17/922503817.db2.gz JRHJLZQRFWMTFT-UHFFFAOYSA-N -1 1 408.479 4.305 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)n1 ZINC000516352312 923681892 /nfs/dbraw/zinc/68/18/92/923681892.db2.gz NPMFDCYZRJQWIJ-BLLLJJGKSA-N -1 1 407.495 4.416 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000516713821 923858658 /nfs/dbraw/zinc/85/86/58/923858658.db2.gz KKHNAKYNZZEFEP-QGZVFWFLSA-N -1 1 406.463 4.470 20 30 HIEDMM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)c2)cc1 ZINC000517158156 924029209 /nfs/dbraw/zinc/02/92/09/924029209.db2.gz FRBLNDHAAKFLMP-UHFFFAOYSA-N -1 1 422.462 4.313 20 30 HIEDMM N#CC(=C([O-])c1ccc2c(c1)CCC(=O)N2)c1nc(-c2c(F)cccc2F)cs1 ZINC000518870949 927581210 /nfs/dbraw/zinc/58/12/10/927581210.db2.gz NRXCWEZGSYHTNZ-CYBMUJFWSA-N -1 1 409.417 4.463 20 30 HIEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000520926969 928877633 /nfs/dbraw/zinc/87/76/33/928877633.db2.gz FQXMPYGNKLZKNJ-UHFFFAOYSA-N -1 1 421.478 4.364 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(C#N)c3)ccc2C)cc1 ZINC000524497734 929644967 /nfs/dbraw/zinc/64/49/67/929644967.db2.gz XDKUZDHWHPSZPK-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000531602470 931117472 /nfs/dbraw/zinc/11/74/72/931117472.db2.gz JVYCALYMRYARHE-UHFFFAOYSA-N -1 1 423.469 4.083 20 30 HIEDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000533952932 932125886 /nfs/dbraw/zinc/12/58/86/932125886.db2.gz IYNJZMSGHMCNJC-UHFFFAOYSA-N -1 1 418.272 4.085 20 30 HIEDMM N#C[C@H]([N-]S(=O)(=O)c1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC000538846744 938724439 /nfs/dbraw/zinc/72/44/39/938724439.db2.gz WFZTWTGUPMOWRO-ZDUSSCGKSA-N -1 1 419.222 4.011 20 30 HIEDMM Cc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nn1[C@H](C)C1CC1 ZINC000539646187 938893115 /nfs/dbraw/zinc/89/31/15/938893115.db2.gz YZXRVDIVKWVDCC-IUODEOHRSA-N -1 1 421.526 4.242 20 30 HIEDMM CCOc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc(Cl)c1[O-] ZINC000545877398 940649023 /nfs/dbraw/zinc/64/90/23/940649023.db2.gz KBJNYWMDWUSUQW-CQSZACIVSA-N -1 1 409.667 4.201 20 30 HIEDMM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000551018621 941395940 /nfs/dbraw/zinc/39/59/40/941395940.db2.gz LQXFYLXVXFPIIV-CYBMUJFWSA-N -1 1 414.152 4.363 20 30 HIEDMM C[C@@H]1CN(Cc2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)C[C@@H](C)O1 ZINC000553987484 942013640 /nfs/dbraw/zinc/01/36/40/942013640.db2.gz PRPIQPAHSVYNTG-GPMSIDNRSA-N -1 1 405.523 4.396 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)o1 ZINC000557824316 943304290 /nfs/dbraw/zinc/30/42/90/943304290.db2.gz ZVMNHJCCUZWSJU-SFHVURJKSA-N -1 1 408.813 4.151 20 30 HIEDMM COc1cc(C)c([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c(C)c1C ZINC000558037810 943364422 /nfs/dbraw/zinc/36/44/22/943364422.db2.gz JTNBYZXLYBRRQU-UHFFFAOYSA-N -1 1 409.305 4.055 20 30 HIEDMM N#Cc1ccc(C2(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)CC2)cc1 ZINC000435933848 861194630 /nfs/dbraw/zinc/19/46/30/861194630.db2.gz FJXXZSYAXZSJGK-UHFFFAOYSA-N -1 1 417.490 4.029 20 30 HIEDMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)cc1 ZINC000022959531 846639855 /nfs/dbraw/zinc/63/98/55/846639855.db2.gz TVISXSMAUWCPNO-UHFFFAOYSA-N -1 1 422.531 4.076 20 30 HIEDMM C#Cc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)c1 ZINC000022969663 846641059 /nfs/dbraw/zinc/64/10/59/846641059.db2.gz IUPGIOARWBHVKD-UHFFFAOYSA-N -1 1 404.491 4.338 20 30 HIEDMM CSc1nc(C)c(CCC(=O)Nc2cccc(C#Cc3cccs3)c2)c(=O)[n-]1 ZINC000027861744 847360009 /nfs/dbraw/zinc/36/00/09/847360009.db2.gz HRCZDKXQYDBLQG-UHFFFAOYSA-N -1 1 409.536 4.245 20 30 HIEDMM C#Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)c1 ZINC000029478611 847568450 /nfs/dbraw/zinc/56/84/50/847568450.db2.gz BYWFCUMVSWMEFZ-UHFFFAOYSA-N -1 1 408.454 4.169 20 30 HIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc(S(C)(=O)=O)ccc3C)n2)cc1 ZINC000041513612 848224449 /nfs/dbraw/zinc/22/44/49/848224449.db2.gz WOVGTTBQDVFUCB-SFHVURJKSA-N -1 1 410.520 4.321 20 30 HIEDMM CC(C)(C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cc(F)cc(C#N)c1 ZINC000436642086 861879614 /nfs/dbraw/zinc/87/96/14/861879614.db2.gz QGKGWYPBPTWEGN-UHFFFAOYSA-N -1 1 423.488 4.382 20 30 HIEDMM N#CC(=C([O-])c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1nc(-c2ccccc2)cs1 ZINC000041522335 848225886 /nfs/dbraw/zinc/22/58/86/848225886.db2.gz CSQQWAOBJFDVPS-ICSRJNTNSA-N -1 1 417.490 4.418 20 30 HIEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CO2)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548843 848229813 /nfs/dbraw/zinc/22/98/13/848229813.db2.gz QJBCAGORUUGZHO-NSHDSACASA-N -1 1 417.368 4.136 20 30 HIEDMM C[C@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1ccc(C#N)cc1 ZINC000436722239 861908296 /nfs/dbraw/zinc/90/82/96/861908296.db2.gz NPQVNBAWIYVPQV-ZDUSSCGKSA-N -1 1 421.403 4.285 20 30 HIEDMM Cc1ccc(CCC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)c1 ZINC000047362239 849032405 /nfs/dbraw/zinc/03/24/05/849032405.db2.gz QIMGZTDCJOVGRG-KRWDZBQOSA-N -1 1 405.523 4.289 20 30 HIEDMM CCn1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c2ccccc21 ZINC000047362163 849032739 /nfs/dbraw/zinc/03/27/39/849032739.db2.gz SHTONHORBXJZGE-OAHLLOKOSA-N -1 1 416.506 4.328 20 30 HIEDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)c1 ZINC000047991990 849149056 /nfs/dbraw/zinc/14/90/56/849149056.db2.gz KULJXELICICGKD-UHFFFAOYSA-N -1 1 407.451 4.057 20 30 HIEDMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055651362 850096536 /nfs/dbraw/zinc/09/65/36/850096536.db2.gz MXKDIBKOKFSDNE-AWEZNQCLSA-N -1 1 417.918 4.027 20 30 HIEDMM CC(C)(C)c1ncc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000063235112 851637271 /nfs/dbraw/zinc/63/72/71/851637271.db2.gz ZLPGXWCLLWPBGD-LLVKDONJSA-N -1 1 412.540 4.107 20 30 HIEDMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 ZINC000064476671 851907847 /nfs/dbraw/zinc/90/78/47/851907847.db2.gz LEAUMHRLHDYAAR-UHFFFAOYSA-N -1 1 423.519 4.333 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000064477071 851908066 /nfs/dbraw/zinc/90/80/66/851908066.db2.gz RQJBVPKLUMPKNP-UHFFFAOYSA-N -1 1 402.541 4.024 20 30 HIEDMM COc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc(OC)c1C ZINC000253597536 854208123 /nfs/dbraw/zinc/20/81/23/854208123.db2.gz IYKUVHUUXWAKLK-CQSZACIVSA-N -1 1 423.494 4.091 20 30 HIEDMM N#CC(=C([O-])c1ccn(-c2cccc(Br)c2)n1)c1nc2ccccc2[nH]1 ZINC000303275927 854847141 /nfs/dbraw/zinc/84/71/41/854847141.db2.gz HKYFGSFEXRAYOV-CQSZACIVSA-N -1 1 406.243 4.001 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(Cl)c2)cc1F ZINC000427193884 856704607 /nfs/dbraw/zinc/70/46/07/856704607.db2.gz WEBRBYVPHWSODJ-UHFFFAOYSA-N -1 1 417.849 4.126 20 30 HIEDMM CC(C)Oc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)c(F)c2)cc1 ZINC000427297263 856757056 /nfs/dbraw/zinc/75/70/56/856757056.db2.gz SJMHGZSUNBAXJG-UHFFFAOYSA-N -1 1 411.458 4.347 20 30 HIEDMM C=CCCCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F ZINC000427792548 856957107 /nfs/dbraw/zinc/95/71/07/856957107.db2.gz JWFBTZHIGDQSNZ-UHFFFAOYSA-N -1 1 402.394 4.259 20 30 HIEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(C(C)C)nc4c3cnn4C(C)C)nc1-2 ZINC000429598425 857781220 /nfs/dbraw/zinc/78/12/20/857781220.db2.gz QKIWVIBCWVOYKU-HNNXBMFYSA-N -1 1 401.474 4.205 20 30 HIEDMM C=C[C@](C)(CCOC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000437639530 862969198 /nfs/dbraw/zinc/96/91/98/862969198.db2.gz VKOQDWDJEWYDCQ-JOCHJYFZSA-N -1 1 416.543 4.272 20 30 HIEDMM Cc1ccc(C#N)cc1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430614435 858236936 /nfs/dbraw/zinc/23/69/36/858236936.db2.gz ZDVVMMRZGCSNNJ-UHFFFAOYSA-N -1 1 416.662 4.376 20 30 HIEDMM CCOC(=O)c1cnc(C(C)=Cc2cccc(OCc3cccc(C#N)c3)c2)[n-]c1=O ZINC000432693803 859299265 /nfs/dbraw/zinc/29/92/65/859299265.db2.gz KEYDGPWVUARKPK-YBEGLDIGSA-N -1 1 415.449 4.370 20 30 HIEDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432781746 859357543 /nfs/dbraw/zinc/35/75/43/859357543.db2.gz STLCUWQXMFBPGK-UHFFFAOYSA-N -1 1 418.272 4.085 20 30 HIEDMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc2F)c1 ZINC000435170416 860676358 /nfs/dbraw/zinc/67/63/58/860676358.db2.gz GDDIAQBRQAUADZ-UHFFFAOYSA-N -1 1 424.379 4.011 20 30 HIEDMM Cc1oc(C#N)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000435389348 860781539 /nfs/dbraw/zinc/78/15/39/860781539.db2.gz KGZGCSNTYMODAG-UHFFFAOYSA-N -1 1 409.467 4.130 20 30 HIEDMM N#Cc1cccc(C2(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)CC2)c1 ZINC000435869306 861129353 /nfs/dbraw/zinc/12/93/53/861129353.db2.gz BNERUXRPOQGKCE-UHFFFAOYSA-N -1 1 417.490 4.029 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C#N)cs3)ccc2C)c1 ZINC000438534192 863960646 /nfs/dbraw/zinc/96/06/46/863960646.db2.gz JYYBQSFEQFMKBE-UHFFFAOYSA-N -1 1 411.508 4.290 20 30 HIEDMM Cc1nc2c(cccc2C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)o1 ZINC000439030557 864487271 /nfs/dbraw/zinc/48/72/71/864487271.db2.gz VBIVLXBGHIIGSZ-ZDUSSCGKSA-N -1 1 404.451 4.215 20 30 HIEDMM N#CC(=C([O-])c1ccccc1Cn1cncn1)c1nc(-c2c(F)cccc2F)cs1 ZINC000442806976 867681394 /nfs/dbraw/zinc/68/13/94/867681394.db2.gz DCKXBHZDYWWSJV-OAHLLOKOSA-N -1 1 421.432 4.218 20 30 HIEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCSc2ccc(Br)cc21 ZINC000442961836 867765308 /nfs/dbraw/zinc/76/53/08/867765308.db2.gz JMPRJYFXXNXWAD-HNNXBMFYSA-N -1 1 403.301 4.335 20 30 HIEDMM COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000443291291 867893141 /nfs/dbraw/zinc/89/31/41/867893141.db2.gz FPTBUAXINHFTAG-UHFFFAOYSA-N -1 1 422.506 4.228 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)ccc1C(F)(F)F ZINC000443405327 867985481 /nfs/dbraw/zinc/98/54/81/867985481.db2.gz WVCSYQBVDQREGE-UHFFFAOYSA-N -1 1 408.323 4.483 20 30 HIEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443457930 868046552 /nfs/dbraw/zinc/04/65/52/868046552.db2.gz YKXCZFMKLYJCOO-UHFFFAOYSA-N -1 1 414.712 4.207 20 30 HIEDMM CCOc1cc(-c2noc(CCc3c(C)nn(CCC#N)c3C)n2)cc(Cl)c1[O-] ZINC000445410618 869494577 /nfs/dbraw/zinc/49/45/77/869494577.db2.gz GFHWPVWFCJHFKY-UHFFFAOYSA-N -1 1 415.881 4.007 20 30 HIEDMM N#C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000446763915 870677861 /nfs/dbraw/zinc/67/78/61/870677861.db2.gz AQDYRNGJHYMRMZ-HNNXBMFYSA-N -1 1 406.788 4.182 20 30 HIEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000460840743 873729907 /nfs/dbraw/zinc/72/99/07/873729907.db2.gz DGMNPEDHICXINR-UHFFFAOYSA-N -1 1 402.422 4.465 20 30 HIEDMM Cc1ccc(NC(=O)CC(C)(C)C#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000468773312 882853383 /nfs/dbraw/zinc/85/33/83/882853383.db2.gz BKQNTOFXBJXMFJ-UHFFFAOYSA-N -1 1 405.907 4.328 20 30 HIEDMM C=C[C@@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000465109368 878485752 /nfs/dbraw/zinc/48/57/52/878485752.db2.gz FBLUPWXSRVDIRH-GFCCVEGCSA-N -1 1 413.326 4.027 20 30 HIEDMM CC#CCCCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OC ZINC000466778311 880557021 /nfs/dbraw/zinc/55/70/21/880557021.db2.gz PROBKMXJSPSMKS-UHFFFAOYSA-N -1 1 420.918 4.282 20 30 HIEDMM Cc1nc(-c2ccccc2)sc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467152097 880888511 /nfs/dbraw/zinc/88/85/11/880888511.db2.gz NURITAYIKSKIJP-GFCCVEGCSA-N -1 1 419.478 4.308 20 30 HIEDMM Cc1c(=O)[n-]c(SCc2nnc(-c3cccc(C#N)c3)o2)nc1-c1ccccc1 ZINC000467205735 880935712 /nfs/dbraw/zinc/93/57/12/880935712.db2.gz HNJBTQOEGZAREC-UHFFFAOYSA-N -1 1 401.451 4.372 20 30 HIEDMM C[C@H](C(=O)[N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N(C)CC(F)(F)F ZINC000503958575 912884995 /nfs/dbraw/zinc/88/49/95/912884995.db2.gz FDEDEPUQVZPWCO-LDYMZIIASA-N -1 1 410.280 4.308 20 30 HIEDMM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(F)c1 ZINC000504032415 912933893 /nfs/dbraw/zinc/93/38/93/912933893.db2.gz IHGZSPGKUHQEEN-UHFFFAOYSA-N -1 1 410.854 4.107 20 30 HIEDMM COc1ccc(COCc2cccc([N-]S(=O)(=O)c3ccccc3CC#N)c2)cc1 ZINC000475798607 890734571 /nfs/dbraw/zinc/73/45/71/890734571.db2.gz ZIYVMFDUGATENY-UHFFFAOYSA-N -1 1 422.506 4.279 20 30 HIEDMM Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2)n1 ZINC000475802812 890738668 /nfs/dbraw/zinc/73/86/68/890738668.db2.gz FCRBOIFDIQHCQN-UHFFFAOYSA-N -1 1 410.524 4.112 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000475814648 890749111 /nfs/dbraw/zinc/74/91/11/890749111.db2.gz SWPNHEDQIBZKSH-UHFFFAOYSA-N -1 1 406.467 4.197 20 30 HIEDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 ZINC000476424626 891337100 /nfs/dbraw/zinc/33/71/00/891337100.db2.gz RLSXKUBTXZPAAF-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000479510987 894824396 /nfs/dbraw/zinc/82/43/96/894824396.db2.gz NZHPZZHKSNVZFS-UHFFFAOYSA-N -1 1 405.646 4.017 20 30 HIEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccccc3C(F)(F)F)nc(=O)c2c1C ZINC000505409023 914074048 /nfs/dbraw/zinc/07/40/48/914074048.db2.gz NCQJNMCELBGQCH-JTQLQIEISA-N -1 1 406.389 4.278 20 30 HIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccc1Cl ZINC000482588997 898187709 /nfs/dbraw/zinc/18/77/09/898187709.db2.gz ZOARMZKOMLJQCR-AWEZNQCLSA-N -1 1 403.873 4.465 20 30 HIEDMM Cn1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c2cc(F)ccc21 ZINC000483438442 899073151 /nfs/dbraw/zinc/07/31/51/899073151.db2.gz KFZIRFRQJBQDDM-CQSZACIVSA-N -1 1 420.469 4.397 20 30 HIEDMM N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)s1 ZINC000486833942 901883952 /nfs/dbraw/zinc/88/39/52/901883952.db2.gz LUISCTKTNODLME-UHFFFAOYSA-N -1 1 417.899 4.326 20 30 HIEDMM N#CC(=C([O-])c1cnn(-c2ccncc2)c1C(F)F)c1nc(-c2ccncc2)cs1 ZINC000490777994 904227907 /nfs/dbraw/zinc/22/79/07/904227907.db2.gz WNTSLSFZVNNXRO-CQSZACIVSA-N -1 1 422.420 4.213 20 30 HIEDMM CC(C)(C)Oc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nc1 ZINC000495284985 906356471 /nfs/dbraw/zinc/35/64/71/906356471.db2.gz GJSBHGSZDKDBIZ-CQSZACIVSA-N -1 1 422.510 4.338 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C#N)cc(N(C)C)c3)n2)cc1 ZINC000497362684 906854025 /nfs/dbraw/zinc/85/40/25/906854025.db2.gz IZZBRIKHSHWLJX-LJQANCHMSA-N -1 1 402.479 4.246 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)cc1Cl ZINC000501791023 910842434 /nfs/dbraw/zinc/84/24/34/910842434.db2.gz FWXITPCDBSZYLP-UHFFFAOYSA-N -1 1 417.899 4.326 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)ccc1Cl ZINC000501793796 910845940 /nfs/dbraw/zinc/84/59/40/910845940.db2.gz JWOCLHUCYXGXNF-UHFFFAOYSA-N -1 1 417.899 4.326 20 30 HIEDMM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2s1 ZINC000513359700 921735220 /nfs/dbraw/zinc/73/52/20/921735220.db2.gz XCAIWWBTTLKXES-UHFFFAOYSA-N -1 1 414.512 4.016 20 30 HIEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)ccc1C ZINC000506623597 915282308 /nfs/dbraw/zinc/28/23/08/915282308.db2.gz KVAMPBJAUPIWEW-CQSZACIVSA-N -1 1 418.540 4.224 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000513422931 921792464 /nfs/dbraw/zinc/79/24/64/921792464.db2.gz YZVUHIMFVWJWIN-UHFFFAOYSA-N -1 1 415.490 4.325 20 30 HIEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000507971079 916823364 /nfs/dbraw/zinc/82/33/64/916823364.db2.gz QYEXAWPXGPSGLP-UHFFFAOYSA-N -1 1 416.300 4.316 20 30 HIEDMM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000509613389 918261047 /nfs/dbraw/zinc/26/10/47/918261047.db2.gz LJUXKUBSYUNTKM-UHFFFAOYSA-N -1 1 422.462 4.363 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000511679084 920344702 /nfs/dbraw/zinc/34/47/02/920344702.db2.gz CWGVOJMARYZASF-UHFFFAOYSA-N -1 1 404.919 4.263 20 30 HIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccc(Br)cc1 ZINC000513681491 922001587 /nfs/dbraw/zinc/00/15/87/922001587.db2.gz DDKDZJZXOIKPPJ-OAHLLOKOSA-N -1 1 420.270 4.310 20 30 HIEDMM N#Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)c2)c1 ZINC000515695480 923278197 /nfs/dbraw/zinc/27/81/97/923278197.db2.gz CILHSOMDLJCTQM-UHFFFAOYSA-N -1 1 417.490 4.100 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)n1 ZINC000516352315 923681855 /nfs/dbraw/zinc/68/18/55/923681855.db2.gz NPMFDCYZRJQWIJ-WBMJQRKESA-N -1 1 407.495 4.416 20 30 HIEDMM CCCOc1c(Cl)cc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cc1OC ZINC000516794514 923889943 /nfs/dbraw/zinc/88/99/43/923889943.db2.gz FQXLIABKGWWWQG-LBPRGKRZSA-N -1 1 422.890 4.261 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(COc3ccccc3)cc2)n1 ZINC000518664354 927416385 /nfs/dbraw/zinc/41/63/85/927416385.db2.gz PHEYWLKIXMIXEI-GOSISDBHSA-N -1 1 406.463 4.389 20 30 HIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000520186275 928375435 /nfs/dbraw/zinc/37/54/35/928375435.db2.gz GZFQCMUCIXISOR-AWEZNQCLSA-N -1 1 404.513 4.043 20 30 HIEDMM CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(=O)[n-]1 ZINC000521800132 929460106 /nfs/dbraw/zinc/46/01/06/929460106.db2.gz IGFUTWDHKGPVOW-UHFFFAOYSA-N -1 1 420.494 4.448 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)c(C#N)c3)cc2)cc1C ZINC000524498738 929646632 /nfs/dbraw/zinc/64/66/32/929646632.db2.gz DRXNCZDWXNACPE-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM Cn1ccc2c1cccc2C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000524625190 929733594 /nfs/dbraw/zinc/73/35/94/929733594.db2.gz UJUDZYQRTPILEI-OAHLLOKOSA-N -1 1 402.479 4.257 20 30 HIEDMM C=CCCCCCN(C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000524724034 929810927 /nfs/dbraw/zinc/81/09/27/929810927.db2.gz QVCYXPJMZZTNHV-UHFFFAOYSA-N -1 1 415.559 4.375 20 30 HIEDMM C=C(C)[C@@H](CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)OCC ZINC000533680445 931966354 /nfs/dbraw/zinc/96/63/54/931966354.db2.gz RJQOFRNUJJFYSG-LJQANCHMSA-N -1 1 422.934 4.451 20 30 HIEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000537995155 938455712 /nfs/dbraw/zinc/45/57/12/938455712.db2.gz JPSKSDAHWTVUTI-UHFFFAOYSA-N -1 1 400.482 4.257 20 30 HIEDMM C=CCCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000539441789 938860952 /nfs/dbraw/zinc/86/09/52/938860952.db2.gz ZSAZNUCKACLSRI-CQSZACIVSA-N -1 1 408.470 4.240 20 30 HIEDMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000548531649 941113021 /nfs/dbraw/zinc/11/30/21/941113021.db2.gz TYGSZAFSLXSJHA-UHFFFAOYSA-N -1 1 418.780 4.038 20 30 HIEDMM N#C[C@@H](C(=O)c1coc(C2CCCC2)n1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000549471901 941193379 /nfs/dbraw/zinc/19/33/79/941193379.db2.gz KZLACRLBQQJFCU-ZDUSSCGKSA-N -1 1 408.483 4.411 20 30 HIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccccc3CN3CCOCC3)n2)cc1 ZINC000555085755 942381898 /nfs/dbraw/zinc/38/18/98/942381898.db2.gz XLHSNNUSMYEALQ-NRFANRHFSA-N -1 1 417.534 4.441 20 30 HIEDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)n1 ZINC000436189325 861490237 /nfs/dbraw/zinc/49/02/37/861490237.db2.gz XDFCHBFXJDEGCU-UHFFFAOYSA-N -1 1 413.547 4.271 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(CC#N)cc3)c2)c1 ZINC000015029025 846001536 /nfs/dbraw/zinc/00/15/36/846001536.db2.gz HNTVPAODMVXEHF-UHFFFAOYSA-N -1 1 419.506 4.423 20 30 HIEDMM C=CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000024497253 846832521 /nfs/dbraw/zinc/83/25/21/846832521.db2.gz UBMPHCLCLIGWMG-UHFFFAOYSA-N -1 1 406.507 4.316 20 30 HIEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000031434895 847884404 /nfs/dbraw/zinc/88/44/04/847884404.db2.gz NJFFPOJKPHIXGQ-QGZVFWFLSA-N -1 1 419.506 4.159 20 30 HIEDMM N#CC(=C([O-])c1cccc(I)c1)c1nc2ccccc2s1 ZINC000046441561 848848996 /nfs/dbraw/zinc/84/89/96/848848996.db2.gz XUVZAESLMRLWDM-GFCCVEGCSA-N -1 1 404.232 4.391 20 30 HIEDMM N#CC(=C([O-])c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc2ccccc2[nH]1 ZINC000048813389 849270111 /nfs/dbraw/zinc/27/01/11/849270111.db2.gz RWOVQBLEPWKVSY-AWEZNQCLSA-N -1 1 403.392 4.006 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)ccc1Cl ZINC000057122889 850553377 /nfs/dbraw/zinc/55/33/77/850553377.db2.gz HGODSQZBTBKJPM-UHFFFAOYSA-N -1 1 417.918 4.075 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000057123550 850553503 /nfs/dbraw/zinc/55/35/03/850553503.db2.gz DPRNHVUBLSYFEW-UHFFFAOYSA-N -1 1 406.507 4.455 20 30 HIEDMM N#CC[C@H](CC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccccc1 ZINC000436989077 862165420 /nfs/dbraw/zinc/16/54/20/862165420.db2.gz NGBLEQSJOIOPMS-GOSISDBHSA-N -1 1 405.498 4.481 20 30 HIEDMM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436994685 862170306 /nfs/dbraw/zinc/17/03/06/862170306.db2.gz FBHMXLHUAVOBOD-OAQYLSRUSA-N -1 1 405.885 4.221 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3cccc(C#N)c3)cc2)ccc1F ZINC000064320800 851870246 /nfs/dbraw/zinc/87/02/46/851870246.db2.gz GUTBQNCPZCDGMS-UHFFFAOYSA-N -1 1 423.469 4.083 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3cc(CC)ccc3O)nc2C)n[n-]c1=S ZINC000111199600 853220721 /nfs/dbraw/zinc/22/07/21/853220721.db2.gz YCZZCUWMOKCTPH-UHFFFAOYSA-N -1 1 401.517 4.079 20 30 HIEDMM N#CC(=C([O-])c1cc2c(c(Br)c1)OCO2)c1nc2ccccc2s1 ZINC000147848647 853595766 /nfs/dbraw/zinc/59/57/66/853595766.db2.gz IEUOUWOCNKMVBH-JTQLQIEISA-N -1 1 401.241 4.278 20 30 HIEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(F)cc1Br ZINC000319066320 855385503 /nfs/dbraw/zinc/38/55/03/855385503.db2.gz IQGUNPOJDBVOCM-UHFFFAOYSA-N -1 1 403.660 4.223 20 30 HIEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[nH]n1 ZINC000410326104 855930007 /nfs/dbraw/zinc/93/00/07/855930007.db2.gz BWEXCIPEIQCREC-UHFFFAOYSA-N -1 1 406.389 4.076 20 30 HIEDMM CC(C)Oc1ccc(-c2ccc([N-]S(=O)(=O)c3cncc(C#N)c3)c(F)c2)cc1 ZINC000427295127 856757530 /nfs/dbraw/zinc/75/75/30/856757530.db2.gz IFFAAVHFPOIBMM-UHFFFAOYSA-N -1 1 411.458 4.347 20 30 HIEDMM C=C[C@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000428039112 857051578 /nfs/dbraw/zinc/05/15/78/857051578.db2.gz QCLUDFJONVAQPS-SFHVURJKSA-N -1 1 402.491 4.116 20 30 HIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(I)c(Cl)c2)n1 ZINC000429352910 857616301 /nfs/dbraw/zinc/61/63/01/857616301.db2.gz XZNREAUUIAVFNI-VIFPVBQESA-N -1 1 402.644 4.200 20 30 HIEDMM Cc1nn(C)c2nc(-c3ccccc3)cc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)c12 ZINC000429569091 857755225 /nfs/dbraw/zinc/75/52/25/857755225.db2.gz QDFMEELKNJLJIN-QGZVFWFLSA-N -1 1 421.464 4.014 20 30 HIEDMM C=C[C@](C)(CCOC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000437643972 862973017 /nfs/dbraw/zinc/97/30/17/862973017.db2.gz DBNFFJXLONUINM-HXUWFJFHSA-N -1 1 422.934 4.308 20 30 HIEDMM CCCCN1C(=O)c2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc2C1=O ZINC000430602872 858233248 /nfs/dbraw/zinc/23/32/48/858233248.db2.gz MJMQAXKHAFVWNV-MRXNPFEDSA-N -1 1 409.511 4.327 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3C)c2)c1 ZINC000431863442 858843952 /nfs/dbraw/zinc/84/39/52/858843952.db2.gz RFUMNYQXRDSARS-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1C(F)(F)F ZINC000435151672 860666882 /nfs/dbraw/zinc/66/68/82/860666882.db2.gz KJYADBPSJUHQJE-UHFFFAOYSA-N -1 1 406.332 4.022 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1C(F)(F)F ZINC000435158650 860669901 /nfs/dbraw/zinc/66/99/01/860669901.db2.gz UYICSKTZCDTPSU-UHFFFAOYSA-N -1 1 407.373 4.396 20 30 HIEDMM Cc1oc(C#N)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000435387902 860780553 /nfs/dbraw/zinc/78/05/53/860780553.db2.gz BSCIDDXDYNEEFC-UHFFFAOYSA-N -1 1 415.858 4.166 20 30 HIEDMM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1F ZINC000438712640 864194930 /nfs/dbraw/zinc/19/49/30/864194930.db2.gz FJNXYNYWNWNLBH-UHFFFAOYSA-N -1 1 410.426 4.321 20 30 HIEDMM CCCOc1ccccc1Oc1ncccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000442733452 867655571 /nfs/dbraw/zinc/65/55/71/867655571.db2.gz YQHPVEOLRAKANC-UHFFFAOYSA-N -1 1 403.438 4.170 20 30 HIEDMM CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442828542 867689731 /nfs/dbraw/zinc/68/97/31/867689731.db2.gz PZLWXRJUWXDJCK-UHFFFAOYSA-N -1 1 406.269 4.062 20 30 HIEDMM COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(C#N)c([O-])c1)CC2 ZINC000442901749 867731349 /nfs/dbraw/zinc/73/13/49/867731349.db2.gz UMNMJFVCORFDHG-JOCHJYFZSA-N -1 1 420.490 4.130 20 30 HIEDMM CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442943355 867755593 /nfs/dbraw/zinc/75/55/93/867755593.db2.gz JXMYAFMTPQHHGD-UHFFFAOYSA-N -1 1 406.461 4.278 20 30 HIEDMM CC(C)N1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000443115202 867825481 /nfs/dbraw/zinc/82/54/81/867825481.db2.gz MLKRQHUBRBTCLY-QUCCMNQESA-N -1 1 401.869 4.010 20 30 HIEDMM CC(C)N1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000443115199 867826080 /nfs/dbraw/zinc/82/60/80/867826080.db2.gz MLKRQHUBRBTCLY-ICSRJNTNSA-N -1 1 401.869 4.010 20 30 HIEDMM CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000443347940 867918000 /nfs/dbraw/zinc/91/80/00/867918000.db2.gz SZARNMYFDDJLQB-UHFFFAOYSA-N -1 1 406.461 4.278 20 30 HIEDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c2)o1 ZINC000443406607 867988236 /nfs/dbraw/zinc/98/82/36/867988236.db2.gz FLEQJPCGCVZMMD-UHFFFAOYSA-N -1 1 407.373 4.341 20 30 HIEDMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443412555 867998355 /nfs/dbraw/zinc/99/83/55/867998355.db2.gz WOCKBNZLRXGHES-UHFFFAOYSA-N -1 1 420.416 4.087 20 30 HIEDMM COc1cc(-c2noc([C@H](C)Oc3ccccc3C#N)n2)cc(Br)c1[O-] ZINC000445399538 869484193 /nfs/dbraw/zinc/48/41/93/869484193.db2.gz BMXMACMDBNPJSN-JTQLQIEISA-N -1 1 416.231 4.225 20 30 HIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000462099768 875208279 /nfs/dbraw/zinc/20/82/79/875208279.db2.gz DJOCBXGRXCMJGY-UHFFFAOYSA-N -1 1 408.321 4.252 20 30 HIEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000463523568 876592982 /nfs/dbraw/zinc/59/29/82/876592982.db2.gz CPIVKAXAGGNPDD-UHFFFAOYSA-N -1 1 422.441 4.050 20 30 HIEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ccc(F)cc3[N+](=O)[O-])s2)cc1 ZINC000466398177 880162722 /nfs/dbraw/zinc/16/27/22/880162722.db2.gz HNNXTRUYWWGNRK-UHFFFAOYSA-N -1 1 415.431 4.002 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(Cl)c1 ZINC000504024590 912928780 /nfs/dbraw/zinc/92/87/80/912928780.db2.gz OYLQMYJKVZMLIP-UHFFFAOYSA-N -1 1 405.646 4.017 20 30 HIEDMM O=C([N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471082849 885609542 /nfs/dbraw/zinc/60/95/42/885609542.db2.gz KPOFKPNVLWWPPB-JOYOIKCWSA-N -1 1 422.291 4.309 20 30 HIEDMM O=C([N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471090812 885619800 /nfs/dbraw/zinc/61/98/00/885619800.db2.gz MVDLHKAAKDZHSZ-ZYHUDNBSSA-N -1 1 422.291 4.309 20 30 HIEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000473126637 887919589 /nfs/dbraw/zinc/91/95/89/887919589.db2.gz LJJFFUUCBUYXHT-UHFFFAOYSA-N -1 1 419.222 4.449 20 30 HIEDMM CC[C@@](C)(C#N)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OC ZINC000504605146 913359268 /nfs/dbraw/zinc/35/92/68/913359268.db2.gz INJTWGJNRXMKTP-IBGZPJMESA-N -1 1 421.906 4.028 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000475798619 890734463 /nfs/dbraw/zinc/73/44/63/890734463.db2.gz QASHFUKPYGXMQO-NDEPHWFRSA-N -1 1 424.547 4.002 20 30 HIEDMM CC[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000478804539 894077861 /nfs/dbraw/zinc/07/78/61/894077861.db2.gz ZZBQRBDHFIYEAM-IBGZPJMESA-N -1 1 413.543 4.061 20 30 HIEDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(C(F)(F)F)c3)cc2F)c1 ZINC000480261958 895670191 /nfs/dbraw/zinc/67/01/91/895670191.db2.gz IONOHGIZHCFZRD-UHFFFAOYSA-N -1 1 424.379 4.011 20 30 HIEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccccc3C(F)(F)F)nc(=O)c2c1C ZINC000505409024 914073991 /nfs/dbraw/zinc/07/39/91/914073991.db2.gz NCQJNMCELBGQCH-SNVBAGLBSA-N -1 1 406.389 4.278 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1-c1ncco1 ZINC000481580422 896961184 /nfs/dbraw/zinc/96/11/84/896961184.db2.gz JUJUVJSVHQVCON-UHFFFAOYSA-N -1 1 418.272 4.085 20 30 HIEDMM COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482533774 898120659 /nfs/dbraw/zinc/12/06/59/898120659.db2.gz MADFMHMVEFSCCC-UHFFFAOYSA-N -1 1 419.275 4.141 20 30 HIEDMM CC[C@H](C)n1ncc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1C ZINC000482551798 898142254 /nfs/dbraw/zinc/14/22/54/898142254.db2.gz DMYVQENUUKKAOI-FZMZJTMJSA-N -1 1 409.515 4.242 20 30 HIEDMM N#CC(=C([O-])c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)c1nc2ccccc2s1 ZINC000483444693 899079834 /nfs/dbraw/zinc/07/98/34/899079834.db2.gz WVOHBKSRBKBFQT-NSHDSACASA-N -1 1 416.384 4.404 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1 ZINC000485397679 900694147 /nfs/dbraw/zinc/69/41/47/900694147.db2.gz YCGCFPNXULRRKP-UHFFFAOYSA-N -1 1 402.491 4.058 20 30 HIEDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)c1 ZINC000486506478 901657075 /nfs/dbraw/zinc/65/70/75/901657075.db2.gz HEJWFGPVMDSHHH-UHFFFAOYSA-N -1 1 410.451 4.169 20 30 HIEDMM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)s2)c(C(F)(F)F)c1 ZINC000487450926 902215533 /nfs/dbraw/zinc/21/55/33/902215533.db2.gz QUNWXCDDDOBSCB-UHFFFAOYSA-N -1 1 421.360 4.113 20 30 HIEDMM N#CC(=C([O-])c1cccc(COC2CCOCC2)c1)c1nc(-c2ccncc2)cs1 ZINC000487922329 902453534 /nfs/dbraw/zinc/45/35/34/902453534.db2.gz WYXYIUIKCYUOJU-FQEVSTJZSA-N -1 1 419.506 4.391 20 30 HIEDMM CN(CCC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000492056940 904779461 /nfs/dbraw/zinc/77/94/61/904779461.db2.gz YWZLVNJGQBXFBI-UHFFFAOYSA-N -1 1 419.506 4.140 20 30 HIEDMM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(S(C)(=O)=O)o3)sc2C1 ZINC000497556200 907044264 /nfs/dbraw/zinc/04/42/64/907044264.db2.gz JCSFBGIXLCLIMI-NSHDSACASA-N -1 1 406.529 4.020 20 30 HIEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CCS2)c1nc(-c2ccncc2)cs1 ZINC000512937100 921425542 /nfs/dbraw/zinc/42/55/42/921425542.db2.gz IDDDYZIQVBTSQZ-CQSZACIVSA-N -1 1 406.492 4.129 20 30 HIEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000507970188 916821349 /nfs/dbraw/zinc/82/13/49/916821349.db2.gz ZSVIVMGACPKEIY-UHFFFAOYSA-N -1 1 419.673 4.106 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)ccc1Cl ZINC000508111520 916927816 /nfs/dbraw/zinc/92/78/16/916927816.db2.gz VPEPPBGBNRXCHG-MRXNPFEDSA-N -1 1 413.808 4.275 20 30 HIEDMM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000509613110 918261594 /nfs/dbraw/zinc/26/15/94/918261594.db2.gz IMCPFYCFOKJGPF-UHFFFAOYSA-N -1 1 416.405 4.438 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)cc1Cl ZINC000511115980 919727031 /nfs/dbraw/zinc/72/70/31/919727031.db2.gz OQIJZALJMFZRDI-UHFFFAOYSA-N -1 1 404.797 4.262 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000511735018 920402223 /nfs/dbraw/zinc/40/22/23/920402223.db2.gz ATDQQYBEMWOLNO-UHFFFAOYSA-N -1 1 424.444 4.320 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000518516724 927321460 /nfs/dbraw/zinc/32/14/60/927321460.db2.gz VBIODJDDSVPIKT-INIZCTEOSA-N -1 1 424.478 4.335 20 30 HIEDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1C ZINC000518740330 927467356 /nfs/dbraw/zinc/46/73/56/927467356.db2.gz VTQQGKLQTMUFSK-INIZCTEOSA-N -1 1 420.556 4.215 20 30 HIEDMM N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000519129578 927795524 /nfs/dbraw/zinc/79/55/24/927795524.db2.gz CIQBPBRTHMBGET-UHFFFAOYSA-N -1 1 424.844 4.112 20 30 HIEDMM C=CCCO[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000520707090 928756624 /nfs/dbraw/zinc/75/66/24/928756624.db2.gz BAPLTYJQDLRGQC-OAHLLOKOSA-N -1 1 422.934 4.369 20 30 HIEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)c1 ZINC000527108973 930592453 /nfs/dbraw/zinc/59/24/53/930592453.db2.gz YKYVMQYHYPLFBM-UHFFFAOYSA-N -1 1 407.623 4.053 20 30 HIEDMM Cc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000533920333 932100273 /nfs/dbraw/zinc/10/02/73/932100273.db2.gz GBXLPLDIDNWXTO-UHFFFAOYSA-N -1 1 405.479 4.114 20 30 HIEDMM N#C[C@H](C(=O)c1cnc2ccc(F)cc2c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000533939385 932113388 /nfs/dbraw/zinc/11/33/88/932113388.db2.gz VFTAZLAQIXSCGN-OAHLLOKOSA-N -1 1 418.453 4.453 20 30 HIEDMM Cc1cc(C(C#N)=C([O-])c2cc(OCC(F)(F)F)c3ccccc3n2)nc(C)n1 ZINC000538981832 938758405 /nfs/dbraw/zinc/75/84/05/938758405.db2.gz ZXITXMLMBMCYMR-AWEZNQCLSA-N -1 1 400.360 4.073 20 30 HIEDMM CCCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccc(F)cc1 ZINC000542950087 939884407 /nfs/dbraw/zinc/88/44/07/939884407.db2.gz PKEVUSIDPOWCCP-QGZVFWFLSA-N -1 1 401.445 4.341 20 30 HIEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCCCC#N)c1 ZINC000543310632 940025671 /nfs/dbraw/zinc/02/56/71/940025671.db2.gz NFUOQCKDWVTZHS-UHFFFAOYSA-N -1 1 413.543 4.127 20 30 HIEDMM CC(=O)c1ccc(C#N)cc1N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000543435657 940063802 /nfs/dbraw/zinc/06/38/02/940063802.db2.gz RHJVLUCXSFGTJB-UHFFFAOYSA-N -1 1 419.506 4.198 20 30 HIEDMM C=CCC(C)(C)c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)n1 ZINC000551137383 941416751 /nfs/dbraw/zinc/41/67/51/941416751.db2.gz XSMYLNJMMIESTA-UHFFFAOYSA-N -1 1 413.499 4.400 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(-c4nc[nH]n4)c3)n2)cc1 ZINC000560217986 944200316 /nfs/dbraw/zinc/20/03/16/944200316.db2.gz SAEOXVYSIHPSCW-QGZVFWFLSA-N -1 1 401.451 4.094 20 30 HIEDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000572057463 947835320 /nfs/dbraw/zinc/83/53/20/947835320.db2.gz DPLJHPBBLXNPFA-UHFFFAOYSA-N -1 1 424.438 4.017 20 30 HIEDMM Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000011372723 845785917 /nfs/dbraw/zinc/78/59/17/845785917.db2.gz IKPFXYAZOAVLIJ-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM C=CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1ccc(OC)cc1 ZINC000021184930 846413608 /nfs/dbraw/zinc/41/36/08/846413608.db2.gz TVVZPSVPHNXRTG-UHFFFAOYSA-N -1 1 421.478 4.244 20 30 HIEDMM C#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC000022409001 846567429 /nfs/dbraw/zinc/56/74/29/846567429.db2.gz IWEMZZWNBDTYMS-UHFFFAOYSA-N -1 1 410.882 4.374 20 30 HIEDMM C=CCN(Cc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000024497971 846832727 /nfs/dbraw/zinc/83/27/27/846832727.db2.gz KIYSLQMMFORWPX-UHFFFAOYSA-N -1 1 406.507 4.316 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)c3cc4ccc(C)cc4[nH]3)n2)n[n-]c1=S ZINC000026095666 847082656 /nfs/dbraw/zinc/08/26/56/847082656.db2.gz UUKQPOVQXCRMKN-UHFFFAOYSA-N -1 1 410.528 4.216 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(C#N)c3)ccc2C)c1 ZINC000028700969 847451425 /nfs/dbraw/zinc/45/14/25/847451425.db2.gz RJQMFWYTBZTUCO-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000045404366 848676070 /nfs/dbraw/zinc/67/60/70/848676070.db2.gz XPLQOOLQSSFRLU-UHFFFAOYSA-N -1 1 405.527 4.227 20 30 HIEDMM N#C[C@@H](C(=O)c1cccc(OC(F)F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707019 848915181 /nfs/dbraw/zinc/91/51/81/848915181.db2.gz KEQAFRQQTMNEBR-ZDUSSCGKSA-N -1 1 415.421 4.367 20 30 HIEDMM Cc1cc(NC(=O)c2cccc(F)c2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000049406609 849308643 /nfs/dbraw/zinc/30/86/43/849308643.db2.gz VECVWCQVRXRCAA-INIZCTEOSA-N -1 1 408.458 4.345 20 30 HIEDMM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000051656619 849498724 /nfs/dbraw/zinc/49/87/24/849498724.db2.gz QODGTFIXGURJSU-GFCCVEGCSA-N -1 1 404.373 4.296 20 30 HIEDMM CCOc1cc(-c2noc(CNc3ccc(C#N)cc3)n2)cc(Br)c1[O-] ZINC000436887884 862066655 /nfs/dbraw/zinc/06/66/55/862066655.db2.gz LSCNIJSIVOMWAT-UHFFFAOYSA-N -1 1 415.247 4.087 20 30 HIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)C3CCCCC3)c2)c1 ZINC000055593994 850070938 /nfs/dbraw/zinc/07/09/38/850070938.db2.gz CDRGBVDYCXDPBC-UHFFFAOYSA-N -1 1 401.463 4.017 20 30 HIEDMM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436994683 862169385 /nfs/dbraw/zinc/16/93/85/862169385.db2.gz FBHMXLHUAVOBOD-NRFANRHFSA-N -1 1 405.885 4.221 20 30 HIEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)CCC#N)c1 ZINC000060617533 851169521 /nfs/dbraw/zinc/16/95/21/851169521.db2.gz UFKTWUPFCVPVAF-UHFFFAOYSA-N -1 1 413.543 4.079 20 30 HIEDMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000063634903 851730565 /nfs/dbraw/zinc/73/05/65/851730565.db2.gz NUZGLYUFPGJOBP-UHFFFAOYSA-N -1 1 422.934 4.346 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(C#N)ccc3C)c2)cc1F ZINC000064070356 851823988 /nfs/dbraw/zinc/82/39/88/851823988.db2.gz LEIXTHMOJSGIIU-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM C=CCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000110229075 853075966 /nfs/dbraw/zinc/07/59/66/853075966.db2.gz ZNGFWRVBOAAJKE-QFIPXVFZSA-N -1 1 416.477 4.354 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)c3cccc(C#N)c3)ccc2C)c1 ZINC000149356472 853623997 /nfs/dbraw/zinc/62/39/97/853623997.db2.gz IQMJJULRVLUFKZ-UHFFFAOYSA-N -1 1 419.506 4.253 20 30 HIEDMM Cc1c(C#N)cccc1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430577346 858225220 /nfs/dbraw/zinc/22/52/20/858225220.db2.gz UKGFUJNHYKBUNR-UHFFFAOYSA-N -1 1 416.662 4.376 20 30 HIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn(-c3ccncc3)c2C(F)F)s1 ZINC000430588758 858228412 /nfs/dbraw/zinc/22/84/12/858228412.db2.gz ASFSHCSNIOIOTN-LBPRGKRZSA-N -1 1 401.442 4.449 20 30 HIEDMM N#CC(=C([O-])c1ccccc1CN1CCOCC1)c1nc2cc(Cl)ccc2s1 ZINC000430645323 858245728 /nfs/dbraw/zinc/24/57/28/858245728.db2.gz BCZASOBDFMCTIQ-KRWDZBQOSA-N -1 1 411.914 4.272 20 30 HIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3c(c2)nc2n(c3=O)CCCCC2)s1 ZINC000430648459 858247340 /nfs/dbraw/zinc/24/73/40/858247340.db2.gz RANRVHPUGXJVON-MRXNPFEDSA-N -1 1 420.538 4.367 20 30 HIEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000431863001 858844034 /nfs/dbraw/zinc/84/40/34/858844034.db2.gz PTUCRBHGYLPEHC-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM CCOC(=O)c1cnc(C(C)=Cc2cccc(OCc3cccc(C#N)c3)c2)[n-]c1=O ZINC000432693802 859299532 /nfs/dbraw/zinc/29/95/32/859299532.db2.gz KEYDGPWVUARKPK-MHWRWJLKSA-N -1 1 415.449 4.370 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1-c1ncco1 ZINC000432774371 859354756 /nfs/dbraw/zinc/35/47/56/859354756.db2.gz BGHSWDMKZAGYOW-UHFFFAOYSA-N -1 1 418.272 4.085 20 30 HIEDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000467747065 881552130 /nfs/dbraw/zinc/55/21/30/881552130.db2.gz QMMJYEBTPOGWMZ-UHFFFAOYSA-N -1 1 412.423 4.059 20 30 HIEDMM COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3c(F)ccc([O-])c3F)c2)c1 ZINC000438768507 864264086 /nfs/dbraw/zinc/26/40/86/864264086.db2.gz CQAMHRGCXDCIEZ-UHFFFAOYSA-N -1 1 407.372 4.109 20 30 HIEDMM Cc1nsc([N-]C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1C#N ZINC000439293896 864717064 /nfs/dbraw/zinc/71/70/64/864717064.db2.gz IGPMRPBDZUYKMZ-UHFFFAOYSA-N -1 1 410.459 4.024 20 30 HIEDMM N#CCC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000439669998 865001129 /nfs/dbraw/zinc/00/11/29/865001129.db2.gz GGFNTJDCSLJGQL-QFIPXVFZSA-N -1 1 419.506 4.262 20 30 HIEDMM CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442857421 867700666 /nfs/dbraw/zinc/70/06/66/867700666.db2.gz FQHGWRSYEGXCIJ-UHFFFAOYSA-N -1 1 406.269 4.062 20 30 HIEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1[O-] ZINC000442963381 867767632 /nfs/dbraw/zinc/76/76/32/867767632.db2.gz MASWAJPNCWZLGF-QGZVFWFLSA-N -1 1 418.280 4.204 20 30 HIEDMM COc1ccc(-c2nc3c(s2)[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CCC3)cc1 ZINC000442976392 867772527 /nfs/dbraw/zinc/77/25/27/867772527.db2.gz UAZBJIADZXCSAQ-QGZVFWFLSA-N -1 1 405.479 4.203 20 30 HIEDMM N#Cc1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)cc1[O-] ZINC000443119379 867828759 /nfs/dbraw/zinc/82/87/59/867828759.db2.gz LKPATAOZBJYEHS-SFHVURJKSA-N -1 1 406.417 4.210 20 30 HIEDMM COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1)CCO2 ZINC000443278577 867888793 /nfs/dbraw/zinc/88/87/93/867888793.db2.gz DPLZLLJAXIIGCM-JOCHJYFZSA-N -1 1 414.461 4.439 20 30 HIEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccc1OC(C)C ZINC000463797707 876916117 /nfs/dbraw/zinc/91/61/17/876916117.db2.gz HWZBBFFGUJNWOK-UHFFFAOYSA-N -1 1 414.405 4.174 20 30 HIEDMM N#Cc1ccccc1OC1CCC([N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000464416047 877623395 /nfs/dbraw/zinc/62/33/95/877623395.db2.gz FCHJMFSAKAKZJY-UHFFFAOYSA-N -1 1 408.882 4.019 20 30 HIEDMM O=S(=O)([N-][C@H](c1c(F)cccc1F)C(F)(F)F)c1ccccc1OC(F)F ZINC000503991227 912899982 /nfs/dbraw/zinc/89/99/82/912899982.db2.gz BOKJCJGEBHKAKW-CYBMUJFWSA-N -1 1 417.302 4.148 20 30 HIEDMM CC(C)[C@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000471196703 885766732 /nfs/dbraw/zinc/76/67/32/885766732.db2.gz WBQSQOXIYDZBAH-JTQLQIEISA-N -1 1 424.263 4.366 20 30 HIEDMM C=C(C)CN(Cc1ccccc1)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000473379268 888096433 /nfs/dbraw/zinc/09/64/33/888096433.db2.gz LJBVSQBJCAFCJT-UHFFFAOYSA-N -1 1 402.498 4.090 20 30 HIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OCCC(=O)OC)cc1 ZINC000473768551 888565504 /nfs/dbraw/zinc/56/55/04/888565504.db2.gz XOKXPYSOHLDVSS-UHFFFAOYSA-N -1 1 417.527 4.281 20 30 HIEDMM Cc1c([N-]S(=O)(=O)c2ccccc2CC#N)cccc1NC(=O)c1ccccc1 ZINC000475808159 890742562 /nfs/dbraw/zinc/74/25/62/890742562.db2.gz FGQKNTLMEZOALM-UHFFFAOYSA-N -1 1 405.479 4.114 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000475819910 890753737 /nfs/dbraw/zinc/75/37/37/890753737.db2.gz NIWHCPVOHUAHAY-UHFFFAOYSA-N -1 1 409.423 4.254 20 30 HIEDMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000476414980 891327990 /nfs/dbraw/zinc/32/79/90/891327990.db2.gz XZIGVUPSVVPRMQ-UHFFFAOYSA-N -1 1 409.305 4.241 20 30 HIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)c1 ZINC000476430648 891341991 /nfs/dbraw/zinc/34/19/91/891341991.db2.gz PSJGIVNEFKAYTJ-UHFFFAOYSA-N -1 1 416.543 4.027 20 30 HIEDMM N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000478146914 893317590 /nfs/dbraw/zinc/31/75/90/893317590.db2.gz OZGHBVXOSHKSKQ-LLVKDONJSA-N -1 1 416.865 4.314 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(N4CCCC4)nc3)n2)cc1 ZINC000478541212 893839922 /nfs/dbraw/zinc/83/99/22/893839922.db2.gz VFGFECNVUOXVCN-SFHVURJKSA-N -1 1 404.495 4.304 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(CCC#N)CCC(C)C)c2)c1 ZINC000505179524 913866224 /nfs/dbraw/zinc/86/62/24/913866224.db2.gz JKOAHTJDTQEGIR-UHFFFAOYSA-N -1 1 413.543 4.198 20 30 HIEDMM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479514027 894827198 /nfs/dbraw/zinc/82/71/98/894827198.db2.gz FZXFRSIYUQHRKN-UHFFFAOYSA-N -1 1 422.491 4.465 20 30 HIEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1OCC ZINC000480158419 895544557 /nfs/dbraw/zinc/54/45/57/895544557.db2.gz FRYRVFLVONAJTE-UHFFFAOYSA-N -1 1 414.405 4.175 20 30 HIEDMM Cc1nc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c(Cl)cc1Cl ZINC000481891746 897268971 /nfs/dbraw/zinc/26/89/71/897268971.db2.gz AFOFVWHSROXANS-UHFFFAOYSA-N -1 1 421.103 4.132 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)c(F)c1 ZINC000488214985 902696525 /nfs/dbraw/zinc/69/65/25/902696525.db2.gz KEPJXENWDDSIAG-HNNXBMFYSA-N -1 1 424.881 4.099 20 30 HIEDMM COc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1Cl ZINC000495284836 906357026 /nfs/dbraw/zinc/35/70/26/906357026.db2.gz BZAQZKLYCCDZTP-LBPRGKRZSA-N -1 1 413.886 4.428 20 30 HIEDMM N#CC(=C([O-])c1cccc(OC[C@@H]2CCCO2)c1)c1nc(-c2ccncc2)cs1 ZINC000512954227 921436265 /nfs/dbraw/zinc/43/62/65/921436265.db2.gz ZBUIFEBUTZKRAU-OALUTQOASA-N -1 1 405.479 4.253 20 30 HIEDMM N#CC(=C([O-])c1cccc(OC[C@H]2CCCO2)c1)c1nc(-c2ccncc2)cs1 ZINC000512954226 921436417 /nfs/dbraw/zinc/43/64/17/921436417.db2.gz ZBUIFEBUTZKRAU-MOPGFXCFSA-N -1 1 405.479 4.253 20 30 HIEDMM N#CC(=C([O-])c1cc(Br)c2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000501379604 910509673 /nfs/dbraw/zinc/50/96/73/910509673.db2.gz YEMKAIOHPWISTO-LLVKDONJSA-N -1 1 415.268 4.320 20 30 HIEDMM Cc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])nn1-c1cccc(C#N)c1 ZINC000507366362 916122168 /nfs/dbraw/zinc/12/21/68/916122168.db2.gz BCNSOZQJNCMQAE-UHFFFAOYSA-N -1 1 411.259 4.081 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)ccc1Cl ZINC000508111518 916927874 /nfs/dbraw/zinc/92/78/74/916927874.db2.gz VPEPPBGBNRXCHG-INIZCTEOSA-N -1 1 413.808 4.275 20 30 HIEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000509380376 918047255 /nfs/dbraw/zinc/04/72/55/918047255.db2.gz VWLZITNVENKYEK-UHFFFAOYSA-N -1 1 419.222 4.335 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000511684646 920347818 /nfs/dbraw/zinc/34/78/18/920347818.db2.gz WQXNLOUVZVMVBL-UHFFFAOYSA-N -1 1 404.919 4.263 20 30 HIEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C)CC#N)cc1 ZINC000512023242 920798750 /nfs/dbraw/zinc/79/87/50/920798750.db2.gz DTHXJRMNBGISLX-INIZCTEOSA-N -1 1 413.543 4.125 20 30 HIEDMM N#C[C@H](C(=O)c1ccc(C(F)(F)F)cn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000513655706 921977445 /nfs/dbraw/zinc/97/74/45/921977445.db2.gz UJPNQOGPIXAQOE-LLVKDONJSA-N -1 1 418.400 4.180 20 30 HIEDMM Cc1cc(NC(=O)c2ccco2)sc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000513672659 921995629 /nfs/dbraw/zinc/99/56/29/921995629.db2.gz SVQXEBZGCMUJNP-ZDUSSCGKSA-N -1 1 404.451 4.279 20 30 HIEDMM N#Cc1cccc(COc2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c1 ZINC000515628858 923229852 /nfs/dbraw/zinc/22/98/52/923229852.db2.gz PQKIWSSWCWPORW-UHFFFAOYSA-N -1 1 400.406 4.216 20 30 HIEDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cc1 ZINC000517437624 924186667 /nfs/dbraw/zinc/18/66/67/924186667.db2.gz HUZLUGVGRPAMIK-INIZCTEOSA-N -1 1 420.556 4.154 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(N4CCCC4=O)c3)n2)cc1 ZINC000517800826 926842226 /nfs/dbraw/zinc/84/22/26/926842226.db2.gz KVLSLODWESUZRL-IBGZPJMESA-N -1 1 417.490 4.436 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000518516725 927321115 /nfs/dbraw/zinc/32/11/15/927321115.db2.gz VBIODJDDSVPIKT-MRXNPFEDSA-N -1 1 424.478 4.335 20 30 HIEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cc1OC ZINC000518646556 927401625 /nfs/dbraw/zinc/40/16/25/927401625.db2.gz UKDXMZJVBGGOQA-ZDUSSCGKSA-N -1 1 406.529 4.065 20 30 HIEDMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](C)C#N)ccc2C)cc1 ZINC000521142791 929020361 /nfs/dbraw/zinc/02/03/61/929020361.db2.gz NRGJRJROWGJDIB-INIZCTEOSA-N -1 1 413.543 4.028 20 30 HIEDMM Cn1ccc2c1cccc2C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000524625189 929733547 /nfs/dbraw/zinc/73/35/47/929733547.db2.gz UJUDZYQRTPILEI-HNNXBMFYSA-N -1 1 402.479 4.257 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000524853356 929859070 /nfs/dbraw/zinc/85/90/70/929859070.db2.gz WZHFHBZYAZHBEO-UHFFFAOYSA-N -1 1 415.490 4.325 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(COCCOc2ccccc2)c1 ZINC000525367419 930199272 /nfs/dbraw/zinc/19/92/72/930199272.db2.gz XFHUWOQOSOQLJK-UHFFFAOYSA-N -1 1 422.506 4.263 20 30 HIEDMM Cc1nc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)[n-]c(=O)c1C ZINC000540712039 939345350 /nfs/dbraw/zinc/34/53/50/939345350.db2.gz CQGLRCRSAOKYFL-LBPRGKRZSA-N -1 1 402.545 4.120 20 30 HIEDMM O=C(Cn1cccn1)[N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000544012173 940299478 /nfs/dbraw/zinc/29/94/78/940299478.db2.gz VFWWMXGSMFVWIK-GFCCVEGCSA-N -1 1 419.247 4.341 20 30 HIEDMM N#CC(=C([O-])c1ccccc1OCc1ccc(Br)cc1)c1ccncn1 ZINC000545446284 940570267 /nfs/dbraw/zinc/57/02/67/940570267.db2.gz GGUYPOUENCFAOA-QGZVFWFLSA-N -1 1 408.255 4.308 20 30 HIEDMM COc1cc2c(cc1C([O-])=C(C#N)c1nc(-c3c(F)cccc3F)cs1)OCO2 ZINC000545449076 940570428 /nfs/dbraw/zinc/57/04/28/940570428.db2.gz JGYMZRKUPQASSN-NSHDSACASA-N -1 1 414.389 4.316 20 30 HIEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(Oc2cccnc2)cc1 ZINC000574840628 948540319 /nfs/dbraw/zinc/54/03/19/948540319.db2.gz WLPGHQZWUKHIFS-CYBMUJFWSA-N -1 1 415.421 4.063 20 30 HIEDMM C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436546156 861845527 /nfs/dbraw/zinc/84/55/27/861845527.db2.gz TZQMRDHAIYCDSY-WHEQGISXSA-N -1 1 413.424 4.125 20 30 HIEDMM N#CC(=C([O-])c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nc(-c2ccccc2)cs1 ZINC000041522341 848226010 /nfs/dbraw/zinc/22/60/10/848226010.db2.gz CSQQWAOBJFDVPS-UYAOXDASSA-N -1 1 417.490 4.418 20 30 HIEDMM N#CC(=C([O-])c1ccc(CN2CCCC2=O)cc1)c1nc(-c2ccccc2)cs1 ZINC000051533472 849481688 /nfs/dbraw/zinc/48/16/88/849481688.db2.gz DGJWINPMXPVWIA-LJQANCHMSA-N -1 1 401.491 4.423 20 30 HIEDMM COc1cc(-c2noc(C[C@@H](CC#N)c3ccccc3)n2)cc(Br)c1[O-] ZINC000436881111 862060337 /nfs/dbraw/zinc/06/03/37/862060337.db2.gz VOPJEYKGGHCFFR-CYBMUJFWSA-N -1 1 414.259 4.453 20 30 HIEDMM O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc(F)c([O-])c(F)c1 ZINC000436962740 862143076 /nfs/dbraw/zinc/14/30/76/862143076.db2.gz AURVNZSFKYFVEQ-UHFFFAOYSA-N -1 1 407.245 4.453 20 30 HIEDMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 ZINC000064312179 851868713 /nfs/dbraw/zinc/86/87/13/851868713.db2.gz ZNIWWYPQTIHSTF-UHFFFAOYSA-N -1 1 421.478 4.283 20 30 HIEDMM C=CCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000110229077 853076012 /nfs/dbraw/zinc/07/60/12/853076012.db2.gz ZNGFWRVBOAAJKE-JOCHJYFZSA-N -1 1 416.477 4.354 20 30 HIEDMM C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000301414970 854388448 /nfs/dbraw/zinc/38/84/48/854388448.db2.gz BOOZESLJNUNSLU-OAHLLOKOSA-N -1 1 422.466 4.440 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c(Cl)c1 ZINC000318475763 855383220 /nfs/dbraw/zinc/38/32/20/855383220.db2.gz ZACVEOGCSOBHEK-UHFFFAOYSA-N -1 1 407.623 4.053 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000321720502 855391428 /nfs/dbraw/zinc/39/14/28/855391428.db2.gz WKSKARZEUXLLIJ-UHFFFAOYSA-N -1 1 405.195 4.140 20 30 HIEDMM C=CCOc1ccc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1Cl ZINC000426733413 856442087 /nfs/dbraw/zinc/44/20/87/856442087.db2.gz MPQISBPDWKAGOW-FQEVSTJZSA-N -1 1 411.889 4.396 20 30 HIEDMM Cc1ccc(NC(=O)c2ccc(C#N)o2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000428014351 857041659 /nfs/dbraw/zinc/04/16/59/857041659.db2.gz NTOZQUDROBQGLG-UHFFFAOYSA-N -1 1 415.858 4.166 20 30 HIEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(C(C)C)nc4c3cnn4C(C)C)nc1-2 ZINC000429598427 857780657 /nfs/dbraw/zinc/78/06/57/857780657.db2.gz QKIWVIBCWVOYKU-OAHLLOKOSA-N -1 1 401.474 4.205 20 30 HIEDMM N#CC(=C([O-])c1ccccc1CN1CCOCC1)c1nc2cc(Cl)ccc2s1 ZINC000430645325 858246131 /nfs/dbraw/zinc/24/61/31/858246131.db2.gz BCZASOBDFMCTIQ-QGZVFWFLSA-N -1 1 411.914 4.272 20 30 HIEDMM N#C[C@@H](C(=O)c1occc1Br)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000435482000 860814866 /nfs/dbraw/zinc/81/48/66/860814866.db2.gz UOIFCXHSVPHDIY-VIFPVBQESA-N -1 1 418.272 4.121 20 30 HIEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)c(F)c2)cc1F ZINC000438720588 864202649 /nfs/dbraw/zinc/20/26/49/864202649.db2.gz AVMLMQLFNGHWIV-UHFFFAOYSA-N -1 1 416.405 4.438 20 30 HIEDMM Cc1cc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1-n1cncn1 ZINC000442806062 867681472 /nfs/dbraw/zinc/68/14/72/867681472.db2.gz BLMYAUXUYSABBS-AWEZNQCLSA-N -1 1 421.432 4.468 20 30 HIEDMM N#Cc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1[O-] ZINC000442960899 867765550 /nfs/dbraw/zinc/76/55/50/867765550.db2.gz DBBSJFIEYPNAJK-UHFFFAOYSA-N -1 1 412.449 4.106 20 30 HIEDMM Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C(F)(F)F ZINC000443058458 867805028 /nfs/dbraw/zinc/80/50/28/867805028.db2.gz NGPWVDANXWZMEH-IBGZPJMESA-N -1 1 414.387 4.100 20 30 HIEDMM N#Cc1ccc(C(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1[O-] ZINC000443127218 867832324 /nfs/dbraw/zinc/83/23/24/867832324.db2.gz JGWSVNSGNNHJFU-CQSZACIVSA-N -1 1 404.266 4.196 20 30 HIEDMM N#Cc1ccc(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1[O-] ZINC000443276354 867886907 /nfs/dbraw/zinc/88/69/07/867886907.db2.gz AOIHTXDJESTHLY-UHFFFAOYSA-N -1 1 413.355 4.400 20 30 HIEDMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468354664 882294344 /nfs/dbraw/zinc/29/43/44/882294344.db2.gz XGTLMQWCZUPVNZ-UHFFFAOYSA-N -1 1 411.527 4.194 20 30 HIEDMM COc1cc(-c2noc(-c3cccc(SCC#N)c3)n2)cc(Br)c1[O-] ZINC000445394238 869479828 /nfs/dbraw/zinc/47/98/28/869479828.db2.gz RSDNYEFZFXPBAU-UHFFFAOYSA-N -1 1 418.272 4.496 20 30 HIEDMM COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc(C#N)c([O-])c3)C2)n1 ZINC000446790879 870709785 /nfs/dbraw/zinc/70/97/85/870709785.db2.gz DCYFDRVFXQIJQK-KRWDZBQOSA-N -1 1 419.506 4.416 20 30 HIEDMM N#C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccc(C(F)(F)F)c1 ZINC000461119469 874044588 /nfs/dbraw/zinc/04/45/88/874044588.db2.gz YFRQYYJLFXVRKR-SNVBAGLBSA-N -1 1 414.352 4.329 20 30 HIEDMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccc(C#N)c1 ZINC000462255837 875378410 /nfs/dbraw/zinc/37/84/10/875378410.db2.gz KOZFUNFDOHLMDO-INIZCTEOSA-N -1 1 405.479 4.101 20 30 HIEDMM CCCCn1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)n1 ZINC000473488379 888210020 /nfs/dbraw/zinc/21/00/20/888210020.db2.gz JNUHCACDNCVRJJ-CQSZACIVSA-N -1 1 409.515 4.071 20 30 HIEDMM CC(C)Oc1cc(Br)cc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475795070 890732834 /nfs/dbraw/zinc/73/28/34/890732834.db2.gz VHKRAAZIFLTDLF-UHFFFAOYSA-N -1 1 409.305 4.103 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000475798614 890734616 /nfs/dbraw/zinc/73/46/16/890734616.db2.gz QASHFUKPYGXMQO-MUUNZHRXSA-N -1 1 424.547 4.002 20 30 HIEDMM N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000477105294 892037910 /nfs/dbraw/zinc/03/79/10/892037910.db2.gz CYOBJLHGCXNAMH-UHFFFAOYSA-N -1 1 400.394 4.078 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1C(F)(F)F ZINC000480131495 895508727 /nfs/dbraw/zinc/50/87/27/895508727.db2.gz LRSJMVYQLVWCDQ-UHFFFAOYSA-N -1 1 417.368 4.097 20 30 HIEDMM CC[C@@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1C ZINC000482551793 898141689 /nfs/dbraw/zinc/14/16/89/898141689.db2.gz DMYVQENUUKKAOI-BXUZGUMPSA-N -1 1 409.515 4.242 20 30 HIEDMM Cc1nc2cc(C(=O)[C@H](C#N)c3nc(=O)c4c5c(sc4[n-]3)CCCC5)ccc2o1 ZINC000483437167 899072156 /nfs/dbraw/zinc/07/21/56/899072156.db2.gz HDPRCQDWNNKZMN-ZDUSSCGKSA-N -1 1 404.451 4.215 20 30 HIEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c1 ZINC000484121006 899743710 /nfs/dbraw/zinc/74/37/10/899743710.db2.gz YCHJTGQKDXUVRF-UHFFFAOYSA-N -1 1 402.273 4.117 20 30 HIEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000487221685 902106608 /nfs/dbraw/zinc/10/66/08/902106608.db2.gz SFHBBZLGCUHSDY-OAQYLSRUSA-N -1 1 415.497 4.037 20 30 HIEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)c(C#N)c2)cc1OC ZINC000488338483 902773519 /nfs/dbraw/zinc/77/35/19/902773519.db2.gz VGUWRGPWHRIHKL-UHFFFAOYSA-N -1 1 410.451 4.169 20 30 HIEDMM CCc1ccc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000489952537 903694501 /nfs/dbraw/zinc/69/45/01/903694501.db2.gz HWZCNFIDHLXVSU-JOCHJYFZSA-N -1 1 419.506 4.044 20 30 HIEDMM C=CCC(C)(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000489955236 903696445 /nfs/dbraw/zinc/69/64/45/903696445.db2.gz IYPVYJQAICPCIB-UHFFFAOYSA-N -1 1 408.470 4.098 20 30 HIEDMM N#C[C@H](C(=O)c1ccc2c(c1)CCCC2=O)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000495285139 906356500 /nfs/dbraw/zinc/35/65/00/906356500.db2.gz KAWDVKYRDZIWON-MRXNPFEDSA-N -1 1 417.490 4.285 20 30 HIEDMM N#C[C@@H](C(=O)c1ccc2c(c1)CCCC2=O)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000495285138 906356717 /nfs/dbraw/zinc/35/67/17/906356717.db2.gz KAWDVKYRDZIWON-INIZCTEOSA-N -1 1 417.490 4.285 20 30 HIEDMM N#CC(=C([O-])c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(C(F)(F)F)cn1 ZINC000496191969 906624190 /nfs/dbraw/zinc/62/41/90/906624190.db2.gz YNBDJBCQMBDBKP-NSHDSACASA-N -1 1 401.247 4.100 20 30 HIEDMM C=CCC(C)(C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000497107034 906806760 /nfs/dbraw/zinc/80/67/60/906806760.db2.gz GNJMOCCHEAGPBK-UHFFFAOYSA-N -1 1 408.907 4.387 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccccc2)c1C ZINC000513425689 921795172 /nfs/dbraw/zinc/79/51/72/921795172.db2.gz ANLZLNAEKDWEQE-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM O=C([N-]c1ccc(F)c(F)c1F)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000508893607 917649602 /nfs/dbraw/zinc/64/96/02/917649602.db2.gz FHKLIHFHVMXAHS-UHFFFAOYSA-N -1 1 404.245 4.095 20 30 HIEDMM CCC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000513660386 921982274 /nfs/dbraw/zinc/98/22/74/921982274.db2.gz LESFCVZPIRQWCT-OAHLLOKOSA-N -1 1 420.494 4.114 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C[S@@](C)=O)c3)n2)cc1 ZINC000516270028 923637734 /nfs/dbraw/zinc/63/77/34/923637734.db2.gz KTZDUNGWVZCBJP-KWMCUTETSA-N -1 1 410.520 4.187 20 30 HIEDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 ZINC000517449078 924198567 /nfs/dbraw/zinc/19/85/67/924198567.db2.gz NHGYDCLKLYVUEM-ZDUSSCGKSA-N -1 1 402.545 4.260 20 30 HIEDMM N#C[C@H](C(=O)c1cnc2ccsc2c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000524761283 929821741 /nfs/dbraw/zinc/82/17/41/929821741.db2.gz CYRHSFQPCQJKRL-GFCCVEGCSA-N -1 1 406.492 4.375 20 30 HIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000532287326 931384947 /nfs/dbraw/zinc/38/49/47/931384947.db2.gz HFCWNPIPISNMIV-ZDUSSCGKSA-N -1 1 415.540 4.111 20 30 HIEDMM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3sc4c(c3C#N)CCC4)no2)c1 ZINC000536125020 933674530 /nfs/dbraw/zinc/67/45/30/933674530.db2.gz BGKDOICAVRPSOQ-UHFFFAOYSA-N -1 1 407.451 4.130 20 30 HIEDMM Cc1csc(C(C#N)=C([O-])c2cc(Br)cc(Br)c2)n1 ZINC000539147195 938810957 /nfs/dbraw/zinc/81/09/57/938810957.db2.gz OWQFNFIWESRZFU-NSHDSACASA-N -1 1 400.095 4.467 20 30 HIEDMM O=C([N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCOC1 ZINC000542155335 939734196 /nfs/dbraw/zinc/73/41/96/939734196.db2.gz ZLJLPHIDJWVKKA-RDDDGLTNSA-N -1 1 409.248 4.480 20 30 HIEDMM O=S(=O)([N-][C@H](c1cccc(F)c1F)C(F)(F)F)c1ccccc1OC(F)F ZINC000543169543 939984004 /nfs/dbraw/zinc/98/40/04/939984004.db2.gz ROGDLLAXIRWNOG-CYBMUJFWSA-N -1 1 417.302 4.148 20 30 HIEDMM Cc1ccc2oc(C(=O)[C@H](C#N)c3nc(=O)c4c5c(sc4[n-]3)CCCC5)cc2n1 ZINC000551028808 941397551 /nfs/dbraw/zinc/39/75/51/941397551.db2.gz IYUDFRJDIUECHM-LBPRGKRZSA-N -1 1 404.451 4.215 20 30 HIEDMM CC1(C)COc2ccc(C(=O)[C@H](C#N)c3nc(=O)c4c5c(sc4[n-]3)CCCC5)cc21 ZINC000569044461 946807496 /nfs/dbraw/zinc/80/74/96/946807496.db2.gz ZMXUHDNKNPGGMZ-AWEZNQCLSA-N -1 1 419.506 4.436 20 30 HIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cn3ccc(Br)cc3n2)s1 ZINC000572893951 948032743 /nfs/dbraw/zinc/03/27/43/948032743.db2.gz IUHFYEVKLQBPRR-LLVKDONJSA-N -1 1 403.305 4.341 20 30 HIEDMM C=CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1ccc(F)cc1 ZINC000006096098 845169834 /nfs/dbraw/zinc/16/98/34/845169834.db2.gz OACASBYJOZGDCH-UHFFFAOYSA-N -1 1 409.442 4.375 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCc3cccc(C#N)c3)cc2)cc1 ZINC000026358840 847133551 /nfs/dbraw/zinc/13/35/51/847133551.db2.gz DSQDHTXOVHJVOU-UHFFFAOYSA-N -1 1 406.463 4.025 20 30 HIEDMM Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000026456878 847153141 /nfs/dbraw/zinc/15/31/41/847153141.db2.gz YPKOEIRSWBYYBK-UHFFFAOYSA-N -1 1 417.918 4.472 20 30 HIEDMM N#CCN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])C1CC1 ZINC000436551183 861848075 /nfs/dbraw/zinc/84/80/75/861848075.db2.gz MLLRQTFQOZYIHU-UHFFFAOYSA-N -1 1 404.253 4.079 20 30 HIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(CS(C)(=O)=O)cc3)n2)cc1 ZINC000041513699 848224850 /nfs/dbraw/zinc/22/48/50/848224850.db2.gz PCPAEVXXORPWJJ-GOSISDBHSA-N -1 1 410.520 4.153 20 30 HIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C)c(S(C)(=O)=O)c3)n2)cc1 ZINC000051154738 849438179 /nfs/dbraw/zinc/43/81/79/849438179.db2.gz IKBMNWIVXNHRRW-KRWDZBQOSA-N -1 1 410.520 4.321 20 30 HIEDMM C=CCCN(C)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436848386 862024768 /nfs/dbraw/zinc/02/47/68/862024768.db2.gz OHHMMBLXCGGUIY-UHFFFAOYSA-N -1 1 403.276 4.055 20 30 HIEDMM N#Cc1ccsc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000052033675 849545023 /nfs/dbraw/zinc/54/50/23/849545023.db2.gz WZPHHIDFPQJPEN-UHFFFAOYSA-N -1 1 417.899 4.326 20 30 HIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1 ZINC000055688404 850113508 /nfs/dbraw/zinc/11/35/08/850113508.db2.gz HFHGFUJEJKXOMV-UHFFFAOYSA-N -1 1 417.918 4.075 20 30 HIEDMM COc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc(OC)c1C ZINC000060488456 851117682 /nfs/dbraw/zinc/11/76/82/851117682.db2.gz IYKUVHUUXWAKLK-AWEZNQCLSA-N -1 1 423.494 4.091 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)c3cccc(C#N)c3)cc2)c1C ZINC000064320784 851870378 /nfs/dbraw/zinc/87/03/78/851870378.db2.gz HWYHKEFKGKIZFS-UHFFFAOYSA-N -1 1 419.506 4.253 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C3CCCCC3)c2)cc1F ZINC000427213896 856716156 /nfs/dbraw/zinc/71/61/56/856716156.db2.gz UTVORMYWDPSLBU-MHZLTWQESA-N -1 1 420.531 4.080 20 30 HIEDMM C=C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000428039137 857051614 /nfs/dbraw/zinc/05/16/14/857051614.db2.gz QIMLOQXOMVKXTH-SFHVURJKSA-N -1 1 404.919 4.322 20 30 HIEDMM C=C[C@@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000428040491 857052738 /nfs/dbraw/zinc/05/27/38/857052738.db2.gz KIVCQLTYBYACRU-LJQANCHMSA-N -1 1 402.491 4.116 20 30 HIEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C)c(NC(=O)c4ccccc4)c3)nc1-2 ZINC000429577743 857763516 /nfs/dbraw/zinc/76/35/16/857763516.db2.gz GLSOIMAVUYLDQK-GOSISDBHSA-N -1 1 409.449 4.317 20 30 HIEDMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc2)o1 ZINC000435151728 860666996 /nfs/dbraw/zinc/66/69/96/860666996.db2.gz LGNJTMIKVKETAZ-UHFFFAOYSA-N -1 1 407.373 4.341 20 30 HIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)c(C(F)(F)F)c2)c1 ZINC000435717076 861001140 /nfs/dbraw/zinc/00/11/40/861001140.db2.gz JPYLZXFEYYHWIH-UHFFFAOYSA-N -1 1 406.332 4.022 20 30 HIEDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)c(F)c2)c1 ZINC000438720315 864201767 /nfs/dbraw/zinc/20/17/67/864201767.db2.gz XKFKUNMDSFALSI-UHFFFAOYSA-N -1 1 410.426 4.493 20 30 HIEDMM N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1F ZINC000438724409 864207932 /nfs/dbraw/zinc/20/79/32/864207932.db2.gz ORBLCZOTGGGLJC-UHFFFAOYSA-N -1 1 418.427 4.050 20 30 HIEDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(C(F)(F)F)c3)cc(Cl)c2O1 ZINC000438773574 864267645 /nfs/dbraw/zinc/26/76/45/864267645.db2.gz CFKOGVANBDGDCD-SECBINFHSA-N -1 1 416.808 4.355 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C(=O)NC4CC4)c3)n2)cc1 ZINC000439641147 864968108 /nfs/dbraw/zinc/96/81/08/864968108.db2.gz FHIHEOZWJOFSCS-IBGZPJMESA-N -1 1 417.490 4.201 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(NC(=O)CC(C)C)c(C)c2)n1 ZINC000442830689 867691868 /nfs/dbraw/zinc/69/18/68/867691868.db2.gz ZSVNWMYZGMPCOO-HNNXBMFYSA-N -1 1 413.499 4.103 20 30 HIEDMM N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1[O-] ZINC000443272531 867887055 /nfs/dbraw/zinc/88/70/55/867887055.db2.gz KFDLDANXQWGVTJ-UHFFFAOYSA-N -1 1 418.280 4.062 20 30 HIEDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000443404539 867984786 /nfs/dbraw/zinc/98/47/86/867984786.db2.gz SYEPCSNWIQEHFH-UHFFFAOYSA-N -1 1 411.405 4.035 20 30 HIEDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)cc2)n[nH]1 ZINC000443411684 867994628 /nfs/dbraw/zinc/99/46/28/867994628.db2.gz GCEJVWKUXHJUGD-UHFFFAOYSA-N -1 1 422.388 4.202 20 30 HIEDMM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)ccc2n1 ZINC000443411273 867995797 /nfs/dbraw/zinc/99/57/97/867995797.db2.gz VGCRJPSZELGWDJ-UHFFFAOYSA-N -1 1 408.405 4.308 20 30 HIEDMM N#C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000446763916 870678274 /nfs/dbraw/zinc/67/82/74/870678274.db2.gz AQDYRNGJHYMRMZ-OAHLLOKOSA-N -1 1 406.788 4.182 20 30 HIEDMM CCNc1ccc(C#N)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000469942205 884139742 /nfs/dbraw/zinc/13/97/42/884139742.db2.gz WZDYOBSPBXNVII-UHFFFAOYSA-N -1 1 420.494 4.043 20 30 HIEDMM COc1cc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)ccc1F ZINC000471608148 886321882 /nfs/dbraw/zinc/32/18/82/886321882.db2.gz BGOQDKFVFUHCGT-UHFFFAOYSA-N -1 1 413.430 4.003 20 30 HIEDMM Cc1nc(CC2CC2)oc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000475027343 889880057 /nfs/dbraw/zinc/88/00/57/889880057.db2.gz BMOUKIRPXJEVHK-CYBMUJFWSA-N -1 1 408.483 4.015 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)ccc1Cl ZINC000476397502 891315111 /nfs/dbraw/zinc/31/51/11/891315111.db2.gz MJOWZQURMRLUNV-UHFFFAOYSA-N -1 1 417.849 4.126 20 30 HIEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 ZINC000477766969 892854900 /nfs/dbraw/zinc/85/49/00/892854900.db2.gz FZLAFJYGBFNSOO-UHFFFAOYSA-N -1 1 413.543 4.198 20 30 HIEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccc(Br)cc3)nc(=O)c2c1C ZINC000478179590 893344602 /nfs/dbraw/zinc/34/46/02/893344602.db2.gz KTCSCUYWYGUSKV-GFCCVEGCSA-N -1 1 417.288 4.022 20 30 HIEDMM C=CCC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CCC1 ZINC000478284708 893490944 /nfs/dbraw/zinc/49/09/44/893490944.db2.gz UMOSQYPIJICQQO-UHFFFAOYSA-N -1 1 406.454 4.451 20 30 HIEDMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccccc1SCCC#N ZINC000479471319 894793554 /nfs/dbraw/zinc/79/35/54/894793554.db2.gz UNONQUKVWSZLAQ-UHFFFAOYSA-N -1 1 410.904 4.153 20 30 HIEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000479490751 894812241 /nfs/dbraw/zinc/81/22/41/894812241.db2.gz OABOCQDAMIKDQZ-AVYPCKFXSA-N -1 1 406.573 4.075 20 30 HIEDMM N#CC(=C([O-])c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cnc2ccccc2n1 ZINC000483220817 898866155 /nfs/dbraw/zinc/86/61/55/898866155.db2.gz XPGHCNSPIMJOGI-IBGZPJMESA-N -1 1 424.460 4.049 20 30 HIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)n1 ZINC000486806628 901865972 /nfs/dbraw/zinc/86/59/72/901865972.db2.gz ADIHBGQPUDKVHM-MRXNPFEDSA-N -1 1 417.494 4.411 20 30 HIEDMM Cn1cc([C@H]([N-]C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1 ZINC000487761469 902347883 /nfs/dbraw/zinc/34/78/83/902347883.db2.gz LVWYQAQINCTWCZ-NSHDSACASA-N -1 1 419.247 4.491 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccccc3-n3cccn3)n2)cc1 ZINC000512503885 921204180 /nfs/dbraw/zinc/20/41/80/921204180.db2.gz MVSNKCBIAYGMAJ-SFHVURJKSA-N -1 1 400.463 4.494 20 30 HIEDMM Cc1ccc(C(=O)N(C)CC(C)(C)C#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000497351882 906847320 /nfs/dbraw/zinc/84/73/20/906847320.db2.gz COBIOYQSZQUWAW-UHFFFAOYSA-N -1 1 419.934 4.071 20 30 HIEDMM C=CCSc1ccccc1NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000497432393 906903249 /nfs/dbraw/zinc/90/32/49/906903249.db2.gz CIUVXBPUVYLRRD-UHFFFAOYSA-N -1 1 417.556 4.073 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000513379634 921753472 /nfs/dbraw/zinc/75/34/72/921753472.db2.gz WJOJDVDKKCIKBF-UHFFFAOYSA-N -1 1 415.858 4.166 20 30 HIEDMM CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)ccc2O1 ZINC000507579692 916335003 /nfs/dbraw/zinc/33/50/03/916335003.db2.gz LXSQRYYQBKPCNA-UHFFFAOYSA-N -1 1 424.400 4.122 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000511739235 920410234 /nfs/dbraw/zinc/41/02/34/920410234.db2.gz GHPZOVIVWJBXQF-UHFFFAOYSA-N -1 1 410.539 4.180 20 30 HIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccc(Br)cc1 ZINC000513681490 922002125 /nfs/dbraw/zinc/00/21/25/922002125.db2.gz DDKDZJZXOIKPPJ-HNNXBMFYSA-N -1 1 420.270 4.310 20 30 HIEDMM Cc1cc(Br)cc(Cl)c1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000514906813 922841429 /nfs/dbraw/zinc/84/14/29/922841429.db2.gz STRXTCKOHUFCOQ-UHFFFAOYSA-N -1 1 403.660 4.223 20 30 HIEDMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000521800558 929458647 /nfs/dbraw/zinc/45/86/47/929458647.db2.gz MARDHEPVPAOOLZ-LLVKDONJSA-N -1 1 408.476 4.027 20 30 HIEDMM Cc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000531808956 931205638 /nfs/dbraw/zinc/20/56/38/931205638.db2.gz DELCENPSLBTLNN-UHFFFAOYSA-N -1 1 417.918 4.328 20 30 HIEDMM C=C(C)[C@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)OCC ZINC000534391000 932414500 /nfs/dbraw/zinc/41/45/00/932414500.db2.gz NHFUXJZCKAUBGX-IBGZPJMESA-N -1 1 422.934 4.451 20 30 HIEDMM C=C(C)[C@@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)OCC ZINC000534391001 932414803 /nfs/dbraw/zinc/41/48/03/932414803.db2.gz NHFUXJZCKAUBGX-LJQANCHMSA-N -1 1 422.934 4.451 20 30 HIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)c1 ZINC000535737591 933370988 /nfs/dbraw/zinc/37/09/88/933370988.db2.gz ALQXULUFDNJABN-UHFFFAOYSA-N -1 1 413.543 4.148 20 30 HIEDMM C=CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)C1CC1 ZINC000537933715 938421319 /nfs/dbraw/zinc/42/13/19/938421319.db2.gz JCVGVDNOEPULPT-UHFFFAOYSA-N -1 1 408.882 4.071 20 30 HIEDMM C=CCOc1cccnc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000540438822 939250251 /nfs/dbraw/zinc/25/02/51/939250251.db2.gz QXEJSAVQQSINJC-UHFFFAOYSA-N -1 1 423.494 4.008 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3CC#N)cc2)ccc1F ZINC000550100363 941284541 /nfs/dbraw/zinc/28/45/41/941284541.db2.gz XJKDPFKKRMNJNO-UHFFFAOYSA-N -1 1 423.469 4.253 20 30 HIEDMM N#CC(=C([O-])c1cn2ccc(Br)cc2n1)c1nc(-c2ccncc2)cs1 ZINC000561316130 944547986 /nfs/dbraw/zinc/54/79/86/944547986.db2.gz ZBKWTSZFOONOHU-CYBMUJFWSA-N -1 1 424.283 4.105 20 30 HIEDMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000436209857 861510846 /nfs/dbraw/zinc/51/08/46/861510846.db2.gz YHKHHMRAHLWJAW-NSHDSACASA-N -1 1 402.545 4.066 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccc(CC#N)cc1 ZINC000015029036 846001604 /nfs/dbraw/zinc/00/16/04/846001604.db2.gz HEWHIJWWWTYSKL-UHFFFAOYSA-N -1 1 423.469 4.253 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C#N)c3)ccc2C)cc1 ZINC000015739026 846088130 /nfs/dbraw/zinc/08/81/30/846088130.db2.gz VAIXKMRHEAXZBZ-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM C=CCN(Cc1cccs1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000023739147 846744761 /nfs/dbraw/zinc/74/47/61/846744761.db2.gz XOARRTOTBAAZHJ-UHFFFAOYSA-N -1 1 412.536 4.377 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)c3cccc(OC(F)F)c3)n2)n[n-]c1=S ZINC000026091316 847082983 /nfs/dbraw/zinc/08/29/83/847082983.db2.gz JBUFKKAIWMUBRA-UHFFFAOYSA-N -1 1 423.470 4.028 20 30 HIEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436546158 861845529 /nfs/dbraw/zinc/84/55/29/861845529.db2.gz TZQMRDHAIYCDSY-XMHCIUCPSA-N -1 1 413.424 4.125 20 30 HIEDMM CCCN(CC#N)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436559190 861850539 /nfs/dbraw/zinc/85/05/39/861850539.db2.gz YXTKKSDNNWFZGI-UHFFFAOYSA-N -1 1 406.269 4.327 20 30 HIEDMM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(O)cc3[O-])s2)c(C(F)(F)F)c1 ZINC000436628042 861875158 /nfs/dbraw/zinc/87/51/58/861875158.db2.gz ZWBQLOXVPSKRKS-UHFFFAOYSA-N -1 1 419.384 4.288 20 30 HIEDMM N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(C(=O)NC4CCCCC4)c([O-])c3)CC2)c1 ZINC000436639941 861878695 /nfs/dbraw/zinc/87/86/95/861878695.db2.gz GOLHVQLWEKHWCI-UHFFFAOYSA-N -1 1 421.472 4.136 20 30 HIEDMM CCN(CCC#N)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436807058 861996208 /nfs/dbraw/zinc/99/62/08/861996208.db2.gz HKDLKZUTNPGONW-UHFFFAOYSA-N -1 1 406.269 4.327 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1 ZINC000055593995 850070300 /nfs/dbraw/zinc/07/03/00/850070300.db2.gz BBSQWIXHSGNWGF-UHFFFAOYSA-N -1 1 401.463 4.017 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)c3cccc(C#N)c3)ccc2C)cc1 ZINC000064320780 851870602 /nfs/dbraw/zinc/87/06/02/851870602.db2.gz GYFCLHDEZKLOBO-UHFFFAOYSA-N -1 1 419.506 4.253 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000210200797 853813529 /nfs/dbraw/zinc/81/35/29/853813529.db2.gz HIDJREGOBGLJIJ-UHFFFAOYSA-N -1 1 409.433 4.368 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3sc(C)cc3OC)nc2C)n[n-]c1=S ZINC000303543872 855029244 /nfs/dbraw/zinc/02/92/44/855029244.db2.gz GMQZJNKQFREBAC-UHFFFAOYSA-N -1 1 407.546 4.189 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Br)c(Cl)c1 ZINC000314349727 855376090 /nfs/dbraw/zinc/37/60/90/855376090.db2.gz OABIWFUPSUMYJE-UHFFFAOYSA-N -1 1 406.088 4.428 20 30 HIEDMM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000317216245 855380602 /nfs/dbraw/zinc/38/06/02/855380602.db2.gz SHYQGKMZKAUAGR-UHFFFAOYSA-N -1 1 403.660 4.223 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cn3)cc2)cc1F ZINC000427266859 856744213 /nfs/dbraw/zinc/74/42/13/856744213.db2.gz VXENCMCCSNEQGU-UHFFFAOYSA-N -1 1 403.822 4.339 20 30 HIEDMM C=C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000428038974 857051176 /nfs/dbraw/zinc/05/11/76/857051176.db2.gz PQPXXVYIGWKHMJ-GOSISDBHSA-N -1 1 404.919 4.322 20 30 HIEDMM N#C[C@H](C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000429682629 857833492 /nfs/dbraw/zinc/83/34/92/857833492.db2.gz ZKGWOUWCJFOCDK-SNVBAGLBSA-N -1 1 406.389 4.113 20 30 HIEDMM CCCCN1C(=O)c2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc2C1=O ZINC000430602871 858233528 /nfs/dbraw/zinc/23/35/28/858233528.db2.gz MJMQAXKHAFVWNV-INIZCTEOSA-N -1 1 409.511 4.327 20 30 HIEDMM CCOC(=O)c1cnc(C(C)=Cc2cccc(OCc3ccccc3C#N)c2)[n-]c1=O ZINC000432696753 859300453 /nfs/dbraw/zinc/30/04/53/859300453.db2.gz QBENPQDKMHMKLC-WJDWOHSUSA-N -1 1 415.449 4.370 20 30 HIEDMM Cn1cc(Br)cc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000434622185 860435390 /nfs/dbraw/zinc/43/53/90/860435390.db2.gz BLBKQLZRSANIEI-AWEZNQCLSA-N -1 1 411.284 4.273 20 30 HIEDMM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)ccc2n1 ZINC000435168864 860674706 /nfs/dbraw/zinc/67/47/06/860674706.db2.gz PCVOXRIDHJGEIA-UHFFFAOYSA-N -1 1 408.405 4.308 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C3CCCCC3)c2)ccc1C#N ZINC000435734929 861017155 /nfs/dbraw/zinc/01/71/55/861017155.db2.gz YZUVOJZAZNSHNK-MHZLTWQESA-N -1 1 416.568 4.249 20 30 HIEDMM COc1cc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)ccc1OCc1ccccc1 ZINC000442724299 867648633 /nfs/dbraw/zinc/64/86/33/867648633.db2.gz VGRGZJBBGPBATM-MRXNPFEDSA-N -1 1 402.450 4.342 20 30 HIEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000442862273 867703219 /nfs/dbraw/zinc/70/32/19/867703219.db2.gz FONODBZHHCJSDX-OAHLLOKOSA-N -1 1 417.440 4.075 20 30 HIEDMM C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442958234 867763819 /nfs/dbraw/zinc/76/38/19/867763819.db2.gz BFOLXNRDSSGGQO-BTDLBPIBSA-N -1 1 403.301 4.239 20 30 HIEDMM CC(C)N1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000443115194 867825963 /nfs/dbraw/zinc/82/59/63/867825963.db2.gz MLKRQHUBRBTCLY-AZUAARDMSA-N -1 1 401.869 4.010 20 30 HIEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1[O-] ZINC000443127216 867832361 /nfs/dbraw/zinc/83/23/61/867832361.db2.gz JGWSVNSGNNHJFU-AWEZNQCLSA-N -1 1 404.266 4.196 20 30 HIEDMM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000443362590 867927298 /nfs/dbraw/zinc/92/72/98/867927298.db2.gz QXGPXNCKTYMIOV-UHFFFAOYSA-N -1 1 421.316 4.350 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000443413754 867996948 /nfs/dbraw/zinc/99/69/48/867996948.db2.gz GRIQYCLLPYRELZ-UHFFFAOYSA-N -1 1 404.797 4.148 20 30 HIEDMM N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccc([O-])cc3F)no2)CC1 ZINC000445464854 869540531 /nfs/dbraw/zinc/54/05/31/869540531.db2.gz VRNRFCZFVNYQJH-UHFFFAOYSA-N -1 1 421.388 4.085 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc(C)c1F ZINC000460815028 873696270 /nfs/dbraw/zinc/69/62/70/873696270.db2.gz LDRZYFRZHNEFCV-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)c1 ZINC000460822531 873706177 /nfs/dbraw/zinc/70/61/77/873706177.db2.gz FWBBJORMZJUDSU-UHFFFAOYSA-N -1 1 418.584 4.353 20 30 HIEDMM C[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc(C#N)c1 ZINC000461912631 875055325 /nfs/dbraw/zinc/05/53/25/875055325.db2.gz CZVVWUJQPVCRIR-MRXNPFEDSA-N -1 1 405.479 4.101 20 30 HIEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000468905117 882959594 /nfs/dbraw/zinc/95/95/94/882959594.db2.gz JIUFCBKOOMJFQP-UHFFFAOYSA-N -1 1 401.822 4.046 20 30 HIEDMM O=C([N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471082851 885608635 /nfs/dbraw/zinc/60/86/35/885608635.db2.gz KPOFKPNVLWWPPB-SKDRFNHKSA-N -1 1 422.291 4.309 20 30 HIEDMM O=C([N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471090810 885619096 /nfs/dbraw/zinc/61/90/96/885619096.db2.gz MVDLHKAAKDZHSZ-JQWIXIFHSA-N -1 1 422.291 4.309 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(Br)cc(C(F)(F)F)c1 ZINC000475810690 890745746 /nfs/dbraw/zinc/74/57/46/890745746.db2.gz HWOGMHKZDAYDLJ-UHFFFAOYSA-N -1 1 419.222 4.335 20 30 HIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000479568106 894862641 /nfs/dbraw/zinc/86/26/41/894862641.db2.gz QCHZLEYQAIFAJI-UHFFFAOYSA-N -1 1 418.824 4.075 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1C(F)(F)F ZINC000480125865 895500737 /nfs/dbraw/zinc/50/07/37/895500737.db2.gz RAGVBRYIMATAPY-UHFFFAOYSA-N -1 1 424.322 4.319 20 30 HIEDMM Cc1c(I)cccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483232838 898876172 /nfs/dbraw/zinc/87/61/72/898876172.db2.gz HUJYVWRFYQFWJM-CYBMUJFWSA-N -1 1 413.218 4.033 20 30 HIEDMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ncccc2C#N)cc1C ZINC000484691431 900127839 /nfs/dbraw/zinc/12/78/39/900127839.db2.gz SHHNGSCYHHIIDG-UHFFFAOYSA-N -1 1 409.467 4.001 20 30 HIEDMM N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)s1 ZINC000486852688 901897935 /nfs/dbraw/zinc/89/79/35/901897935.db2.gz ZPEUSTSPBUXCLK-UHFFFAOYSA-N -1 1 417.899 4.326 20 30 HIEDMM CC(C)[C@H](O)C(=O)[N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000487028911 902027836 /nfs/dbraw/zinc/02/78/36/902027836.db2.gz HEIRJDLUSWSBMP-QWRGUYRKSA-N -1 1 411.264 4.461 20 30 HIEDMM C=CCn1c(SCc2nn[n-]n2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000497229942 906822514 /nfs/dbraw/zinc/82/25/14/906822514.db2.gz OSXTXNXOOPPEKQ-ZDUSSCGKSA-N -1 1 415.592 4.149 20 30 HIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000512785241 921310975 /nfs/dbraw/zinc/31/09/75/921310975.db2.gz FKVFVLLAWMNQIB-UHFFFAOYSA-N -1 1 408.479 4.186 20 30 HIEDMM CN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498214284 907746040 /nfs/dbraw/zinc/74/60/40/907746040.db2.gz QAXLFUPGBVXHRF-UHFFFAOYSA-N -1 1 420.494 4.023 20 30 HIEDMM CSc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 ZINC000509104593 917843714 /nfs/dbraw/zinc/84/37/14/917843714.db2.gz WQCMMOBLJUOVLN-UHFFFAOYSA-N -1 1 423.519 4.333 20 30 HIEDMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1 ZINC000515632539 923234797 /nfs/dbraw/zinc/23/47/97/923234797.db2.gz WPQDRUWNOHQXGK-UHFFFAOYSA-N -1 1 415.515 4.155 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(OC)c4c(c3)OCCO4)n2)cc1 ZINC000516270427 923637925 /nfs/dbraw/zinc/63/79/25/923637925.db2.gz YACXEMOGVQBRGB-MRXNPFEDSA-N -1 1 422.462 4.089 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000516713815 923858458 /nfs/dbraw/zinc/85/84/58/923858458.db2.gz KKHNAKYNZZEFEP-KRWDZBQOSA-N -1 1 406.463 4.470 20 30 HIEDMM CSc1nc(C)c(CCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(=O)[n-]1 ZINC000519515603 928005343 /nfs/dbraw/zinc/00/53/43/928005343.db2.gz NKLRXODVRMXZGB-GFCCVEGCSA-N -1 1 402.545 4.178 20 30 HIEDMM C=CCCO[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000520707089 928756769 /nfs/dbraw/zinc/75/67/69/928756769.db2.gz BAPLTYJQDLRGQC-HNNXBMFYSA-N -1 1 422.934 4.369 20 30 HIEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000521712128 929382108 /nfs/dbraw/zinc/38/21/08/929382108.db2.gz KIBAVGHVHLWNNY-CQSZACIVSA-N -1 1 415.540 4.014 20 30 HIEDMM N#CC(=C([O-])c1cccc(-n2ccnn2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000534468955 932490752 /nfs/dbraw/zinc/49/07/52/932490752.db2.gz KIMSAGCKXVQEFL-AWEZNQCLSA-N -1 1 407.405 4.159 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)ccc1Cl ZINC000537393531 933754676 /nfs/dbraw/zinc/75/46/76/933754676.db2.gz DGNDXNBUSXVHND-UHFFFAOYSA-N -1 1 410.842 4.216 20 30 HIEDMM CSc1nc(C)c(CCC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c(=O)[n-]1 ZINC000537999634 938457406 /nfs/dbraw/zinc/45/74/06/938457406.db2.gz CYSGCICACFONII-UHFFFAOYSA-N -1 1 418.522 4.000 20 30 HIEDMM N#C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000538896825 938732785 /nfs/dbraw/zinc/73/27/85/938732785.db2.gz ZFYKKSPYCPGAKF-ZDUSSCGKSA-N -1 1 408.323 4.267 20 30 HIEDMM Cc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nn1[C@@H](C)C1CC1 ZINC000539646189 938893126 /nfs/dbraw/zinc/89/31/26/938893126.db2.gz YZXRVDIVKWVDCC-WFASDCNBSA-N -1 1 421.526 4.242 20 30 HIEDMM CCC[C@@H](C#N)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000539842002 938955004 /nfs/dbraw/zinc/95/50/04/938955004.db2.gz YTFUHVNXQAFLDR-ZDUSSCGKSA-N -1 1 406.269 4.373 20 30 HIEDMM N#C[C@H](C(=O)c1ccnc(OC2CCC2)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000539901139 938973508 /nfs/dbraw/zinc/97/35/08/938973508.db2.gz PEDYEEFZXLOWRJ-OAHLLOKOSA-N -1 1 420.494 4.092 20 30 HIEDMM N#C[C@@H](C(=O)c1ccnc(OC2CCC2)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000539901138 938973788 /nfs/dbraw/zinc/97/37/88/938973788.db2.gz PEDYEEFZXLOWRJ-HNNXBMFYSA-N -1 1 420.494 4.092 20 30 HIEDMM N#CC1(CS(=O)(=O)[N-]C2(c3noc(C4CCCC4)n3)CCCCCC2)CCCC1 ZINC000546064378 940687904 /nfs/dbraw/zinc/68/79/04/940687904.db2.gz ZIKQIYHUPCNRJW-UHFFFAOYSA-N -1 1 420.579 4.280 20 30 HIEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(Cl)c(C#N)n1 ZINC000557817574 943302206 /nfs/dbraw/zinc/30/22/06/943302206.db2.gz MXYLXMCBCCLNFX-UHFFFAOYSA-N -1 1 412.902 4.044 20 30 HIEDMM N#CCCSc1ccc(C(F)(F)F)cc1[N-]C(=O)c1cc(Cn2cccn2)on1 ZINC000559652967 944024700 /nfs/dbraw/zinc/02/47/00/944024700.db2.gz VXGOEUAQCLJGJA-UHFFFAOYSA-N -1 1 421.404 4.196 20 30 HIEDMM O=[N+]([O-])c1ccc(N=NC2CCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000006673871 845218290 /nfs/dbraw/zinc/21/82/90/845218290.db2.gz MNQRJUCEDPIURJ-UHFFFAOYSA-N -1 1 408.867 4.391 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000007050567 845241332 /nfs/dbraw/zinc/24/13/32/845241332.db2.gz ZJSLXTHSRJZOLT-UHFFFAOYSA-N -1 1 405.195 4.140 20 30 HIEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436244691 861554316 /nfs/dbraw/zinc/55/43/16/861554316.db2.gz KUGJFRCMZSWFHH-LBPRGKRZSA-N -1 1 400.529 4.185 20 30 HIEDMM C#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)c1 ZINC000022409038 846566922 /nfs/dbraw/zinc/56/69/22/846566922.db2.gz YYOJFCLCWBNYPE-UHFFFAOYSA-N -1 1 404.491 4.338 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2)cc1 ZINC000026135512 847093990 /nfs/dbraw/zinc/09/39/90/847093990.db2.gz VUOZZIVLHHZBDZ-KRWDZBQOSA-N -1 1 419.506 4.159 20 30 HIEDMM C#Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)c1 ZINC000029478995 847568142 /nfs/dbraw/zinc/56/81/42/847568142.db2.gz WZDDSXTWFGHYML-UHFFFAOYSA-N -1 1 404.491 4.338 20 30 HIEDMM C[C@H](CC#N)N(C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436569036 861854995 /nfs/dbraw/zinc/85/49/95/861854995.db2.gz ZATLJDRPYRMHEE-LLVKDONJSA-N -1 1 406.269 4.325 20 30 HIEDMM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548691 848229317 /nfs/dbraw/zinc/22/93/17/848229317.db2.gz ZZZQLGQLXXIINR-NSHDSACASA-N -1 1 417.368 4.136 20 30 HIEDMM N#C[C@@H](C(=O)c1csc2c1CCCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707292 848915054 /nfs/dbraw/zinc/91/50/54/848915054.db2.gz FLTSWEGCJMNZDW-ZDUSSCGKSA-N -1 1 409.536 4.294 20 30 HIEDMM N#CC(=C([O-])c1ccc(-c2ccccc2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391602 849308218 /nfs/dbraw/zinc/30/82/18/849308218.db2.gz MVQZITPWIQCGCB-FQEVSTJZSA-N -1 1 406.449 4.354 20 30 HIEDMM COc1cc(-c2noc(C3(c4ccc(C#N)cc4)CC3)n2)cc(Br)c1[O-] ZINC000436880163 862056315 /nfs/dbraw/zinc/05/63/15/862056315.db2.gz PMHKNVNBEHBZKJ-UHFFFAOYSA-N -1 1 412.243 4.165 20 30 HIEDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000055590467 850067272 /nfs/dbraw/zinc/06/72/72/850067272.db2.gz PUMYYZOWPHCQFH-UHFFFAOYSA-N -1 1 406.463 4.141 20 30 HIEDMM C=CCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060401568 851088558 /nfs/dbraw/zinc/08/85/58/851088558.db2.gz YCWOAUJXXFKRHR-UHFFFAOYSA-N -1 1 408.479 4.305 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3ccc(Cl)cc3OC)nc2C)n[n-]c1=S ZINC000111200493 853221559 /nfs/dbraw/zinc/22/15/59/853221559.db2.gz VZRSEXIGBCZFOW-UHFFFAOYSA-N -1 1 421.935 4.473 20 30 HIEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000138815623 853396940 /nfs/dbraw/zinc/39/69/40/853396940.db2.gz UCUVUKSUESALHU-NSHDSACASA-N -1 1 417.277 4.473 20 30 HIEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3cccc(C#N)c3)cc2)c1 ZINC000149351648 853624594 /nfs/dbraw/zinc/62/45/94/853624594.db2.gz VIDJEIIRCWWGEF-UHFFFAOYSA-N -1 1 419.506 4.253 20 30 HIEDMM CC(C)(CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1 ZINC000195720718 853777345 /nfs/dbraw/zinc/77/73/45/853777345.db2.gz VUAHOZFUYGTWTM-INIZCTEOSA-N -1 1 405.523 4.408 20 30 HIEDMM COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccc([O-])cc3)cc2OC)o1 ZINC000211366496 853815908 /nfs/dbraw/zinc/81/59/08/853815908.db2.gz SOVSBLILRATSML-KMKOMSMNSA-N -1 1 408.406 4.256 20 30 HIEDMM C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1)c1ccc(C#N)cc1 ZINC000301522343 854412282 /nfs/dbraw/zinc/41/22/82/854412282.db2.gz GIDVZBOMAWBYTG-CYBMUJFWSA-N -1 1 414.437 4.205 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1NC(=O)C(C)(C)C ZINC000303567083 855044024 /nfs/dbraw/zinc/04/40/24/855044024.db2.gz YBXNISGREAFOBF-UHFFFAOYSA-N -1 1 405.907 4.306 20 30 HIEDMM C=CCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000303748086 855170105 /nfs/dbraw/zinc/17/01/05/855170105.db2.gz DQBPCIWTCBOFIN-UHFFFAOYSA-N -1 1 406.935 4.487 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)ccc1C(F)(F)F ZINC000410332398 855933054 /nfs/dbraw/zinc/93/30/54/855933054.db2.gz KGWOJMHIQPXGLZ-UHFFFAOYSA-N -1 1 403.385 4.440 20 30 HIEDMM C=CC[C@@H](C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000427117006 856647552 /nfs/dbraw/zinc/64/75/52/856647552.db2.gz XWXBNYAHQRBWFX-JOCHJYFZSA-N -1 1 420.534 4.464 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C3CCCCC3)c2)cc1F ZINC000427213895 856716003 /nfs/dbraw/zinc/71/60/03/856716003.db2.gz UTVORMYWDPSLBU-HHHXNRCGSA-N -1 1 420.531 4.080 20 30 HIEDMM N#C[C@@H](C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000429682628 857833671 /nfs/dbraw/zinc/83/36/71/857833671.db2.gz ZKGWOUWCJFOCDK-JTQLQIEISA-N -1 1 406.389 4.113 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)s1 ZINC000435498468 860822948 /nfs/dbraw/zinc/82/29/48/860822948.db2.gz XESOHBLKTSVBCE-UHFFFAOYSA-N -1 1 416.434 4.242 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)c(Cl)c2)ccc1C#N ZINC000435725521 861008746 /nfs/dbraw/zinc/00/87/46/861008746.db2.gz YBLLFJWGINFROF-UHFFFAOYSA-N -1 1 422.944 4.324 20 30 HIEDMM Cc1cc(C#N)ccc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000439046892 864498159 /nfs/dbraw/zinc/49/81/59/864498159.db2.gz OCKAMLIOISVLFE-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM N#C[C@@H](C(=O)c1ccc2c(n1)CCCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000441701639 866811623 /nfs/dbraw/zinc/81/16/23/866811623.db2.gz OTFJTMBOLAUCPQ-AWEZNQCLSA-N -1 1 404.495 4.040 20 30 HIEDMM Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3ccc(C#N)c([O-])c3)c2)c1 ZINC000442733936 867656083 /nfs/dbraw/zinc/65/60/83/867656083.db2.gz RFIUTTAPGYOOOS-UHFFFAOYSA-N -1 1 400.438 4.146 20 30 HIEDMM Cc1cc(-n2cncn2)ccc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000442867937 867704130 /nfs/dbraw/zinc/70/41/30/867704130.db2.gz GAFUTYKEDOAQPY-IBGZPJMESA-N -1 1 410.462 4.061 20 30 HIEDMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)cc21 ZINC000443371937 867934671 /nfs/dbraw/zinc/93/46/71/867934671.db2.gz TXWBKKJASFOGIM-UHFFFAOYSA-N -1 1 419.304 4.052 20 30 HIEDMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 ZINC000443401529 867961581 /nfs/dbraw/zinc/96/15/81/867961581.db2.gz UTWLNIVNMKPADL-UHFFFAOYSA-N -1 1 421.478 4.010 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)ccc1C(F)(F)F ZINC000443402170 867968611 /nfs/dbraw/zinc/96/86/11/867968611.db2.gz XXJMOHGAHIJMOI-UHFFFAOYSA-N -1 1 407.373 4.396 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Cl ZINC000468345420 882281077 /nfs/dbraw/zinc/28/10/77/882281077.db2.gz FQBOPXSQRSSPCR-UHFFFAOYSA-N -1 1 417.918 4.032 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000447004666 870887045 /nfs/dbraw/zinc/88/70/45/870887045.db2.gz DCFWKOZNXALHRQ-UHFFFAOYSA-N -1 1 405.195 4.140 20 30 HIEDMM CC[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC000468574110 882640845 /nfs/dbraw/zinc/64/08/45/882640845.db2.gz BQEXHACWISTSOR-GOSISDBHSA-N -1 1 413.543 4.125 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000460828607 873714928 /nfs/dbraw/zinc/71/49/28/873714928.db2.gz GDUYPCSYTPVKMU-UHFFFAOYSA-N -1 1 402.491 4.058 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(F)c(C#N)c3)ccc2C)c1 ZINC000468811151 882871217 /nfs/dbraw/zinc/87/12/17/882871217.db2.gz DHBGUOIVWSQKKA-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM C[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc(C#N)c1 ZINC000461912630 875054839 /nfs/dbraw/zinc/05/48/39/875054839.db2.gz CZVVWUJQPVCRIR-INIZCTEOSA-N -1 1 405.479 4.101 20 30 HIEDMM Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000462253488 875375052 /nfs/dbraw/zinc/37/50/52/875375052.db2.gz FNOMVQFZZZCGQD-QGZVFWFLSA-N -1 1 419.506 4.410 20 30 HIEDMM N#CCCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000462294042 875416761 /nfs/dbraw/zinc/41/67/61/875416761.db2.gz HGTYMLOQEYJVIR-UHFFFAOYSA-N -1 1 411.405 4.139 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(-c2nc3ccccc3n2C)c1 ZINC000467081909 880853732 /nfs/dbraw/zinc/85/37/32/880853732.db2.gz BKWKHWHYIZXTIQ-UHFFFAOYSA-N -1 1 402.479 4.221 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-c2nc3ccccc3n2C)c1 ZINC000467085527 880854771 /nfs/dbraw/zinc/85/47/71/880854771.db2.gz NAZRQEHTGPIBII-UHFFFAOYSA-N -1 1 402.479 4.221 20 30 HIEDMM N#Cc1cccc(S(=O)(=O)[N-][C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 ZINC000503841040 912837757 /nfs/dbraw/zinc/83/77/57/912837757.db2.gz APEPOTLXMSRVOI-AWEZNQCLSA-N -1 1 408.323 4.159 20 30 HIEDMM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)oc1-c1ccc(Cl)cc1 ZINC000503888395 912852172 /nfs/dbraw/zinc/85/21/72/912852172.db2.gz XHXODGJGQMLFMK-UHFFFAOYSA-N -1 1 422.293 4.307 20 30 HIEDMM C[C@H](C(=O)[N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N(C)CC(F)(F)F ZINC000503958573 912884761 /nfs/dbraw/zinc/88/47/61/912884761.db2.gz FDEDEPUQVZPWCO-KCJUWKMLSA-N -1 1 410.280 4.308 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(Sc2nncs2)c(Cl)c1 ZINC000475799082 890735933 /nfs/dbraw/zinc/73/59/33/890735933.db2.gz RUXLNONCUXPUCR-UHFFFAOYSA-N -1 1 422.944 4.210 20 30 HIEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c(Br)c1 ZINC000475811912 890745567 /nfs/dbraw/zinc/74/55/67/890745567.db2.gz QSUTXGHTWJPKKE-UHFFFAOYSA-N -1 1 409.305 4.060 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000475819887 890753372 /nfs/dbraw/zinc/75/33/72/890753372.db2.gz WIMIAMFWYYQOSH-UHFFFAOYSA-N -1 1 415.858 4.052 20 30 HIEDMM CC[C@@H](C)n1nc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1C ZINC000480963800 896303066 /nfs/dbraw/zinc/30/30/66/896303066.db2.gz OHKPAKFFIDQXSG-BXUZGUMPSA-N -1 1 409.515 4.242 20 30 HIEDMM Cc1cc(Br)c([O-])c(NC(=O)CCCC(=O)Nc2ccccc2C#N)c1 ZINC000482628794 898231843 /nfs/dbraw/zinc/23/18/43/898231843.db2.gz GXPHDEAGKZIPHY-UHFFFAOYSA-N -1 1 416.275 4.082 20 30 HIEDMM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1I ZINC000483227498 898870659 /nfs/dbraw/zinc/87/06/59/898870659.db2.gz BXWPXHLESXKPGD-CYBMUJFWSA-N -1 1 413.218 4.033 20 30 HIEDMM Cc1nc2cc(C(=O)[C@@H](C#N)c3nc(=O)c4c5c(sc4[n-]3)CCCC5)ccc2o1 ZINC000483437164 899071759 /nfs/dbraw/zinc/07/17/59/899071759.db2.gz HDPRCQDWNNKZMN-CYBMUJFWSA-N -1 1 404.451 4.215 20 30 HIEDMM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000486490546 901644511 /nfs/dbraw/zinc/64/45/11/901644511.db2.gz ACUXOTSBTAVAMD-UHFFFAOYSA-N -1 1 406.872 4.014 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)c(F)c1 ZINC000488214986 902696686 /nfs/dbraw/zinc/69/66/86/902696686.db2.gz KEPJXENWDDSIAG-OAHLLOKOSA-N -1 1 424.881 4.099 20 30 HIEDMM Cc1nn(-c2ccc(Br)cc2)cc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000490719334 904191211 /nfs/dbraw/zinc/19/12/11/904191211.db2.gz MGMYRWMRYOHODZ-OAHLLOKOSA-N -1 1 420.270 4.310 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(COc3ccc(C)nc3)c2)n1 ZINC000512944115 921430248 /nfs/dbraw/zinc/43/02/48/921430248.db2.gz YCPDOOIBVFSTBF-GOSISDBHSA-N -1 1 421.478 4.092 20 30 HIEDMM CCn1cc(Br)cc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000512953130 921434618 /nfs/dbraw/zinc/43/46/18/921434618.db2.gz PYOQFVATJYKJHO-CYBMUJFWSA-N -1 1 401.289 4.279 20 30 HIEDMM N#CC(=C([O-])c1cc(Br)c2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000501379605 910510102 /nfs/dbraw/zinc/51/01/02/910510102.db2.gz YEMKAIOHPWISTO-NSHDSACASA-N -1 1 415.268 4.320 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Br ZINC000508097660 916913166 /nfs/dbraw/zinc/91/31/66/916913166.db2.gz UUXVNMRGRYJLMI-UHFFFAOYSA-N -1 1 405.195 4.140 20 30 HIEDMM C=C(C)Cn1c(SCC(=O)Nc2ccc([O-])c(Cl)c2)nnc1-c1ccco1 ZINC000509172781 917885401 /nfs/dbraw/zinc/88/54/01/917885401.db2.gz OYUPLECNPUKZOY-UHFFFAOYSA-N -1 1 404.879 4.204 20 30 HIEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C)CC#N)cc1 ZINC000512023243 920798075 /nfs/dbraw/zinc/79/80/75/920798075.db2.gz DTHXJRMNBGISLX-MRXNPFEDSA-N -1 1 413.543 4.125 20 30 HIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c1 ZINC000515618512 923219686 /nfs/dbraw/zinc/21/96/86/923219686.db2.gz RESMPSYTMFGUGG-UHFFFAOYSA-N -1 1 408.479 4.196 20 30 HIEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)cc1OC ZINC000518646555 927401796 /nfs/dbraw/zinc/40/17/96/927401796.db2.gz UKDXMZJVBGGOQA-CYBMUJFWSA-N -1 1 406.529 4.065 20 30 HIEDMM N#CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C1CCCC1 ZINC000520460021 928578081 /nfs/dbraw/zinc/57/80/81/928578081.db2.gz SXBTWEGPARAREV-UHFFFAOYSA-N -1 1 417.918 4.049 20 30 HIEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1C#N ZINC000520691625 928738323 /nfs/dbraw/zinc/73/83/23/928738323.db2.gz XKYIPEAYSNSSNU-UHFFFAOYSA-N -1 1 419.441 4.315 20 30 HIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000521801049 929461703 /nfs/dbraw/zinc/46/17/03/929461703.db2.gz WGCMQMJDXPTSOW-HNNXBMFYSA-N -1 1 415.540 4.008 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000524725824 929811743 /nfs/dbraw/zinc/81/17/43/929811743.db2.gz PGHPQZLCPQIYJZ-UHFFFAOYSA-N -1 1 409.433 4.287 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000524851740 929857908 /nfs/dbraw/zinc/85/79/08/929857908.db2.gz AWYCPZWHRZBZQC-UHFFFAOYSA-N -1 1 421.453 4.257 20 30 HIEDMM N#Cc1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)ccc1OCC(F)(F)F ZINC000533689446 931971333 /nfs/dbraw/zinc/97/13/33/931971333.db2.gz LDZYTNIJORYCDZ-UHFFFAOYSA-N -1 1 408.760 4.093 20 30 HIEDMM O=C(Cn1ccc(C(F)(F)F)n1)[N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000538346739 938599592 /nfs/dbraw/zinc/59/95/92/938599592.db2.gz IKVVUUOYWBUKMW-GFCCVEGCSA-N -1 1 419.247 4.341 20 30 HIEDMM C=CCCC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000540621733 939322051 /nfs/dbraw/zinc/32/20/51/939322051.db2.gz LVPBGCYFHNYSGY-CQSZACIVSA-N -1 1 408.470 4.240 20 30 HIEDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542062628 939701690 /nfs/dbraw/zinc/70/16/90/939701690.db2.gz YLHRPUVIWLNKLB-CYBMUJFWSA-N -1 1 404.495 4.242 20 30 HIEDMM O=C([N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCOC1 ZINC000542155333 939734567 /nfs/dbraw/zinc/73/45/67/939734567.db2.gz ZLJLPHIDJWVKKA-CPCISQLKSA-N -1 1 409.248 4.480 20 30 HIEDMM O=C([N-][C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)NCC(F)(F)C(F)F ZINC000549238889 941173303 /nfs/dbraw/zinc/17/33/03/941173303.db2.gz YUTRTTNWFXDINJ-QMMMGPOBSA-N -1 1 416.215 4.388 20 30 HIEDMM C=CCCO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000561178970 944500824 /nfs/dbraw/zinc/50/08/24/944500824.db2.gz XRIBEDKOGBGFSU-AWEZNQCLSA-N -1 1 408.907 4.061 20 30 HIEDMM COc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)c1OC ZINC000561962131 944876532 /nfs/dbraw/zinc/87/65/32/944876532.db2.gz VSDBGQRHEGXVCY-CQSZACIVSA-N -1 1 423.494 4.091 20 30 HIEDMM O=C([N-]c1cc(F)cc(F)c1F)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000562030029 944902367 /nfs/dbraw/zinc/90/23/67/944902367.db2.gz MHPYYKSQIHYZRG-UHFFFAOYSA-N -1 1 404.245 4.095 20 30 HIEDMM CC1(C)CN(CC2CN(C(=O)c3ccc(C#N)c([O-])c3)C2)c2cc(C3CC3)ccc21 ZINC000566514051 946024683 /nfs/dbraw/zinc/02/46/83/946024683.db2.gz WCKKWMOCWLLKRE-UHFFFAOYSA-N -1 1 401.510 4.011 20 30 HIEDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(C#N)c2)c1 ZINC000574128537 948374495 /nfs/dbraw/zinc/37/44/95/948374495.db2.gz XZHGQRCRXNKHFJ-UHFFFAOYSA-N -1 1 420.796 4.057 20 30 HIEDMM N#Cc1ccc(CCC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000012955031 845900234 /nfs/dbraw/zinc/90/02/34/845900234.db2.gz KTFWAPGHSIXZIX-UHFFFAOYSA-N -1 1 415.474 4.199 20 30 HIEDMM C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000028492114 847426800 /nfs/dbraw/zinc/42/68/00/847426800.db2.gz NWMWNVUONUVBCI-UHFFFAOYSA-N -1 1 424.444 4.320 20 30 HIEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(CC#N)cc2)c1 ZINC000028670212 847442641 /nfs/dbraw/zinc/44/26/41/847442641.db2.gz WNKUOHXRJKHOMF-UHFFFAOYSA-N -1 1 419.506 4.423 20 30 HIEDMM C=CCN(CCOC)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436583478 861859351 /nfs/dbraw/zinc/85/93/51/861859351.db2.gz NUTUCOHNAVTQSI-UHFFFAOYSA-N -1 1 423.296 4.226 20 30 HIEDMM CCOc1cc(-c2noc(-c3cccc(C#N)c3C)n2)cc(Br)c1[O-] ZINC000436583293 861859603 /nfs/dbraw/zinc/85/96/03/861859603.db2.gz DKXXMCXZOGDIKB-UHFFFAOYSA-N -1 1 400.232 4.451 20 30 HIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(CS(C)(=O)=O)c3)n2)cc1 ZINC000041513022 848223769 /nfs/dbraw/zinc/22/37/69/848223769.db2.gz LGXHAXWGOHWWMO-GOSISDBHSA-N -1 1 410.520 4.153 20 30 HIEDMM N#C[C@@H](C(=O)c1ccc(OC(F)F)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707220 848915024 /nfs/dbraw/zinc/91/50/24/848915024.db2.gz VTAXYMRJGIKLQZ-ZDUSSCGKSA-N -1 1 415.421 4.367 20 30 HIEDMM CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436803998 861993772 /nfs/dbraw/zinc/99/37/72/861993772.db2.gz AEXFZNXUDNTIJS-FQEVSTJZSA-N -1 1 418.280 4.373 20 30 HIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Cl)c(I)c2)n1 ZINC000048520442 849237734 /nfs/dbraw/zinc/23/77/34/849237734.db2.gz BAJMXSNSPBOUPK-SECBINFHSA-N -1 1 402.644 4.200 20 30 HIEDMM CC1(C)C[C@]1(C#N)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436804000 861994789 /nfs/dbraw/zinc/99/47/89/861994789.db2.gz AEXFZNXUDNTIJS-HXUWFJFHSA-N -1 1 418.280 4.373 20 30 HIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000057121814 850553600 /nfs/dbraw/zinc/55/36/00/850553600.db2.gz GIXADYBHGKDNPE-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM N#CC[C@@H](CC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccccc1 ZINC000436989080 862165379 /nfs/dbraw/zinc/16/53/79/862165379.db2.gz NGBLEQSJOIOPMS-SFHVURJKSA-N -1 1 405.498 4.481 20 30 HIEDMM C=C(C)CN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000060624878 851170738 /nfs/dbraw/zinc/17/07/38/851170738.db2.gz ARLQFLFWYUXPMU-UHFFFAOYSA-N -1 1 406.935 4.487 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)ccc1Cl ZINC000063878326 851783985 /nfs/dbraw/zinc/78/39/85/851783985.db2.gz FCWAFXBVSSWXPY-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)C3(c4ccc(F)cc4)CC3)nc2C)n[n-]c1=S ZINC000111191843 853219226 /nfs/dbraw/zinc/21/92/26/853219226.db2.gz KSGXTTLFQHQEIP-UHFFFAOYSA-N -1 1 415.519 4.368 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3c(C)noc3C(C)C)nc2C)n[n-]c1=S ZINC000111200482 853221465 /nfs/dbraw/zinc/22/14/65/853221465.db2.gz WIRVVSNHGYMIOW-UHFFFAOYSA-N -1 1 404.521 4.231 20 30 HIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000147473775 853588639 /nfs/dbraw/zinc/58/86/39/853588639.db2.gz WRFVELOIIPBMEI-DZGCQCFKSA-N -1 1 407.455 4.418 20 30 HIEDMM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1)c1ccc(C#N)cc1 ZINC000301522344 854412362 /nfs/dbraw/zinc/41/23/62/854412362.db2.gz GIDVZBOMAWBYTG-ZDUSSCGKSA-N -1 1 414.437 4.205 20 30 HIEDMM Cn1c(C(C#N)=C([O-])c2ccn(-c3cccc(Br)c3)n2)nc2ccccc21 ZINC000303340962 854881471 /nfs/dbraw/zinc/88/14/71/854881471.db2.gz VOBMNOBHXXSORO-OAHLLOKOSA-N -1 1 420.270 4.012 20 30 HIEDMM C=CCOc1ccccc1CNC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000303556965 855038863 /nfs/dbraw/zinc/03/88/63/855038863.db2.gz WVMIPLWDTLFRQJ-UHFFFAOYSA-N -1 1 408.527 4.187 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(Cl)c1 ZINC000303862437 855257581 /nfs/dbraw/zinc/25/75/81/855257581.db2.gz PTQRYUOVPLYCAS-UHFFFAOYSA-N -1 1 413.886 4.295 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c(Cl)c1 ZINC000318522407 855384036 /nfs/dbraw/zinc/38/40/36/855384036.db2.gz RSKUWVDBUYBMDC-UHFFFAOYSA-N -1 1 407.623 4.053 20 30 HIEDMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000410405881 855979385 /nfs/dbraw/zinc/97/93/85/855979385.db2.gz ZTRBHCUTIYOJCR-UHFFFAOYSA-N -1 1 408.321 4.332 20 30 HIEDMM Cc1nnc(Sc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c(C)c2)s1 ZINC000427215841 856716652 /nfs/dbraw/zinc/71/66/52/856716652.db2.gz AVOCBXKNUKXVQF-UHFFFAOYSA-N -1 1 420.516 4.118 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c3ncccc23)cc1F ZINC000427770828 856947629 /nfs/dbraw/zinc/94/76/29/856947629.db2.gz MCPZHIBHXSRDKC-UHFFFAOYSA-N -1 1 410.474 4.037 20 30 HIEDMM C=C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000428038975 857051511 /nfs/dbraw/zinc/05/15/11/857051511.db2.gz PQPXXVYIGWKHMJ-SFHVURJKSA-N -1 1 404.919 4.322 20 30 HIEDMM C=C[C@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000428040490 857052404 /nfs/dbraw/zinc/05/24/04/857052404.db2.gz KIVCQLTYBYACRU-IBGZPJMESA-N -1 1 402.491 4.116 20 30 HIEDMM C=C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000428047924 857054745 /nfs/dbraw/zinc/05/47/45/857054745.db2.gz GSUUCVSRUWRADW-SFHVURJKSA-N -1 1 404.919 4.322 20 30 HIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(Cl)c(N3CCNC3=O)c2)s1 ZINC000430597364 858231971 /nfs/dbraw/zinc/23/19/71/858231971.db2.gz LKMTXVLCLDNXDF-GFCCVEGCSA-N -1 1 402.907 4.114 20 30 HIEDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)c2)n1 ZINC000432778144 859355519 /nfs/dbraw/zinc/35/55/19/859355519.db2.gz GJMCQSYABUZXOI-UHFFFAOYSA-N -1 1 418.272 4.085 20 30 HIEDMM CC(=O)c1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)ccc1C ZINC000434619391 860433094 /nfs/dbraw/zinc/43/30/94/860433094.db2.gz RUPMFWOMCWVFEX-INIZCTEOSA-N -1 1 405.479 4.277 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c(Br)c1 ZINC000435144126 860663472 /nfs/dbraw/zinc/66/34/72/860663472.db2.gz AJKPPDWYELVYLD-UHFFFAOYSA-N -1 1 409.305 4.217 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)ccc1C#N ZINC000435729240 861012427 /nfs/dbraw/zinc/01/24/27/861012427.db2.gz BSRATHRFMFZYIK-UHFFFAOYSA-N -1 1 412.515 4.075 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)Cc3ccccc3)c2)ccc1C#N ZINC000435734220 861016934 /nfs/dbraw/zinc/01/69/34/861016934.db2.gz WOUQEMGPYOKPHD-NDEPHWFRSA-N -1 1 424.547 4.116 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)C3CCCCC3)c2)ccc1C#N ZINC000435764694 861041774 /nfs/dbraw/zinc/04/17/74/861041774.db2.gz ZTHWOMCCFPORIG-UHFFFAOYSA-N -1 1 415.490 4.325 20 30 HIEDMM Cc1cc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1-n1cncn1 ZINC000442806066 867681443 /nfs/dbraw/zinc/68/14/43/867681443.db2.gz BLMYAUXUYSABBS-CQSZACIVSA-N -1 1 421.432 4.468 20 30 HIEDMM COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(C#N)c([O-])c1)CC2 ZINC000442896569 867728063 /nfs/dbraw/zinc/72/80/63/867728063.db2.gz ZHQDEBNRMIQLSW-XMMPIXPASA-N -1 1 414.461 4.069 20 30 HIEDMM N#Cc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1[O-] ZINC000443126010 867832648 /nfs/dbraw/zinc/83/26/48/867832648.db2.gz GFARSZXVSXDLMF-CQSZACIVSA-N -1 1 413.193 4.450 20 30 HIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000443403092 867981350 /nfs/dbraw/zinc/98/13/50/867981350.db2.gz MSDJVYFQJHBWPY-UHFFFAOYSA-N -1 1 409.389 4.060 20 30 HIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000443413909 867997261 /nfs/dbraw/zinc/99/72/61/867997261.db2.gz HIRHJAYNQUUEBZ-MRXNPFEDSA-N -1 1 405.491 4.160 20 30 HIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000443419592 868003988 /nfs/dbraw/zinc/00/39/88/868003988.db2.gz QZBMULXIITZNBM-UHFFFAOYSA-N -1 1 407.495 4.253 20 30 HIEDMM COc1cccc(C(=O)c2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2)c1 ZINC000444445877 868830786 /nfs/dbraw/zinc/83/07/86/868830786.db2.gz SPMCYVIMQDSXEG-FQEVSTJZSA-N -1 1 409.445 4.303 20 30 HIEDMM N#C[C@H](C(=O)c1noc2c1CCCCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000444448274 868831860 /nfs/dbraw/zinc/83/18/60/868831860.db2.gz BVZDHMFKIOXSGR-CYBMUJFWSA-N -1 1 408.483 4.023 20 30 HIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2c(CC)ccc(Cl)c2CC)c1 ZINC000461118832 874045343 /nfs/dbraw/zinc/04/53/43/874045343.db2.gz PHPWPDKSDDPERA-UHFFFAOYSA-N -1 1 406.935 4.181 20 30 HIEDMM Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000461917760 875060159 /nfs/dbraw/zinc/06/01/59/875060159.db2.gz KMHMMAPYHCKQAR-KRWDZBQOSA-N -1 1 419.506 4.410 20 30 HIEDMM N#CCc1ccc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)cc1 ZINC000468944529 883009462 /nfs/dbraw/zinc/00/94/62/883009462.db2.gz MWHHSVHWAUOVNC-UHFFFAOYSA-N -1 1 416.662 4.262 20 30 HIEDMM COCCOCc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000464181058 877351678 /nfs/dbraw/zinc/35/16/78/877351678.db2.gz DBWKMQBYABQTFK-HXUWFJFHSA-N -1 1 422.506 4.472 20 30 HIEDMM N#C[C@@H](C(=O)c1nccc2ccccc21)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000503501499 912547905 /nfs/dbraw/zinc/54/79/05/912547905.db2.gz MIEMHWJLCXWILQ-HNNXBMFYSA-N -1 1 400.463 4.314 20 30 HIEDMM O=C([N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471082844 885609371 /nfs/dbraw/zinc/60/93/71/885609371.db2.gz KPOFKPNVLWWPPB-BXKDBHETSA-N -1 1 422.291 4.309 20 30 HIEDMM O=C([N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471090811 885619677 /nfs/dbraw/zinc/61/96/77/885619677.db2.gz MVDLHKAAKDZHSZ-PWSUYJOCSA-N -1 1 422.291 4.309 20 30 HIEDMM Cc1nc(CC(C)C)oc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000475027459 889879697 /nfs/dbraw/zinc/87/96/97/889879697.db2.gz GTFLVGCKUZZGIC-ZDUSSCGKSA-N -1 1 410.499 4.261 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000475788438 890728110 /nfs/dbraw/zinc/72/81/10/890728110.db2.gz NAYAAJUVNWIJDX-UHFFFAOYSA-N -1 1 415.478 4.006 20 30 HIEDMM N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000478146919 893317247 /nfs/dbraw/zinc/31/72/47/893317247.db2.gz OZGHBVXOSHKSKQ-NSHDSACASA-N -1 1 416.865 4.314 20 30 HIEDMM CCc1ccc([C@H](C#N)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000489951381 903694151 /nfs/dbraw/zinc/69/41/51/903694151.db2.gz XGLROWYSHYCWDT-QFIPXVFZSA-N -1 1 419.506 4.044 20 30 HIEDMM Cc1cc(Br)c([O-])c(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1 ZINC000498216179 907746496 /nfs/dbraw/zinc/74/64/96/907746496.db2.gz NHJIFHMXUZYKJB-UHFFFAOYSA-N -1 1 400.154 4.001 20 30 HIEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000507987042 916830027 /nfs/dbraw/zinc/83/00/27/916830027.db2.gz ROFBDKUNOCFGTB-UHFFFAOYSA-N -1 1 417.437 4.198 20 30 HIEDMM CCC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000513660385 921982633 /nfs/dbraw/zinc/98/26/33/921982633.db2.gz LESFCVZPIRQWCT-HNNXBMFYSA-N -1 1 420.494 4.114 20 30 HIEDMM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000515365629 923067314 /nfs/dbraw/zinc/06/73/14/923067314.db2.gz VBJFEAKHAJKPHS-UHFFFAOYSA-N -1 1 423.450 4.215 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)ccc1Cl ZINC000515623782 923224418 /nfs/dbraw/zinc/22/44/18/923224418.db2.gz FEGPXAVDVKTQIT-UHFFFAOYSA-N -1 1 414.899 4.389 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)n1 ZINC000516352313 923682222 /nfs/dbraw/zinc/68/22/22/923682222.db2.gz NPMFDCYZRJQWIJ-LRDDRELGSA-N -1 1 407.495 4.416 20 30 HIEDMM C[C@H](C#N)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000517685886 926788976 /nfs/dbraw/zinc/78/89/76/926788976.db2.gz LLHPPPSAONACNA-QGZVFWFLSA-N -1 1 419.506 4.044 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)CCC(=O)N4)n2)cc1 ZINC000517800661 926842269 /nfs/dbraw/zinc/84/22/69/926842269.db2.gz AGRJTYFTDJBPBF-KRWDZBQOSA-N -1 1 403.463 4.193 20 30 HIEDMM CC(=Cc1cc(Br)cc(Br)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000519852475 928096472 /nfs/dbraw/zinc/09/64/72/928096472.db2.gz YUKUJUZJCKWKLI-FPYGCLRLSA-N -1 1 409.081 4.036 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)c(C#N)c3)cc2)c1C ZINC000524499410 929646571 /nfs/dbraw/zinc/64/65/71/929646571.db2.gz XRZGDBODXAXNBP-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2nc3ccccc3n2C)cc1 ZINC000524920516 929890283 /nfs/dbraw/zinc/89/02/83/929890283.db2.gz KZSGAANGGCKKQL-UHFFFAOYSA-N -1 1 402.479 4.221 20 30 HIEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(NC(=O)c4cccs4)c(C)c3)nc1-2 ZINC000535443649 933138715 /nfs/dbraw/zinc/13/87/15/933138715.db2.gz TXMAMHAZVUQUOH-OAHLLOKOSA-N -1 1 415.478 4.379 20 30 HIEDMM N#C[C@H](C(=O)c1cccc([C@H]2CCOC2)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000535637955 933279499 /nfs/dbraw/zinc/27/94/99/933279499.db2.gz LWJHKPMBHFIBPW-DOTOQJQBSA-N -1 1 419.506 4.270 20 30 HIEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 ZINC000535857674 933440524 /nfs/dbraw/zinc/44/05/24/933440524.db2.gz XNPASANFIXKJME-UHFFFAOYSA-N -1 1 415.449 4.362 20 30 HIEDMM O=C([N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1CC(=O)C1 ZINC000543098735 939943889 /nfs/dbraw/zinc/94/38/89/939943889.db2.gz RSEMUJAONSZLPH-NSHDSACASA-N -1 1 407.232 4.423 20 30 HIEDMM CCOc1cc(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc(Cl)c1[O-] ZINC000546566090 940854670 /nfs/dbraw/zinc/85/46/70/940854670.db2.gz WVDYZNKLRHMVOX-UHFFFAOYSA-N -1 1 414.889 4.436 20 30 HIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000550873014 941376888 /nfs/dbraw/zinc/37/68/88/941376888.db2.gz NXRBLIXXCNMOMD-UHFFFAOYSA-N -1 1 401.406 4.383 20 30 HIEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000557858320 943314762 /nfs/dbraw/zinc/31/47/62/943314762.db2.gz STDGBFTYILOREW-UHFFFAOYSA-N -1 1 414.152 4.364 20 30 HIEDMM C=CCCO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000561178971 944501402 /nfs/dbraw/zinc/50/14/02/944501402.db2.gz XRIBEDKOGBGFSU-CQSZACIVSA-N -1 1 408.907 4.061 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc4c3CC(=O)CC4)n2)cc1 ZINC000564508031 945636982 /nfs/dbraw/zinc/63/69/82/945636982.db2.gz ZLCMMXFREPLNMG-HXUWFJFHSA-N -1 1 402.475 4.367 20 30 HIEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000571247715 947566828 /nfs/dbraw/zinc/56/68/28/947566828.db2.gz AIIMPSPQLJYIPP-ZDUSSCGKSA-N -1 1 406.458 4.164 20 30 HIEDMM COc1cc(/C=C(/C(=O)Nc2cccnc2)C(=O)c2ccccc2)cc(Cl)c1[O-] ZINC000007367490 845316937 /nfs/dbraw/zinc/31/69/37/845316937.db2.gz FTMOEVUBPSUOFO-LICLKQGHSA-N -1 1 408.841 4.354 20 30 HIEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000008125944 845479726 /nfs/dbraw/zinc/47/97/26/845479726.db2.gz TWCOYDQORTXLMS-UHFFFAOYSA-N -1 1 405.479 4.114 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000028492291 847427721 /nfs/dbraw/zinc/42/77/21/847427721.db2.gz MQHNVEHHKNPPBF-UHFFFAOYSA-N -1 1 424.444 4.320 20 30 HIEDMM N#CCCSc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436478072 861819194 /nfs/dbraw/zinc/81/91/94/861819194.db2.gz OJFDRFOREOZJHK-UHFFFAOYSA-N -1 1 402.419 4.218 20 30 HIEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000031434898 847884419 /nfs/dbraw/zinc/88/44/19/847884419.db2.gz NJFFPOJKPHIXGQ-KRWDZBQOSA-N -1 1 419.506 4.159 20 30 HIEDMM N#C[C@@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1CCCCC1 ZINC000436570432 861856027 /nfs/dbraw/zinc/85/60/27/861856027.db2.gz QETVUCOZTRPRPD-LJQANCHMSA-N -1 1 413.424 4.125 20 30 HIEDMM N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Br)ccc3[O-])s2)cc1 ZINC000436603996 861866795 /nfs/dbraw/zinc/86/67/95/861866795.db2.gz NKLXPBYEQJUKMW-UHFFFAOYSA-N -1 1 414.284 4.326 20 30 HIEDMM N#CC(=C([O-])c1cccc(C(N)=O)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000041538676 848228234 /nfs/dbraw/zinc/22/82/34/848228234.db2.gz JOTAWWVPGXQGAS-KGASDJBWSA-N -1 1 405.523 4.200 20 30 HIEDMM Cc1ccc(NC(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000045774170 848725896 /nfs/dbraw/zinc/72/58/96/848725896.db2.gz FOOINZDKEFYAMU-UHFFFAOYSA-N -1 1 406.467 4.312 20 30 HIEDMM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000051656620 849499291 /nfs/dbraw/zinc/49/92/91/849499291.db2.gz QODGTFIXGURJSU-LBPRGKRZSA-N -1 1 404.373 4.296 20 30 HIEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000055251666 849993241 /nfs/dbraw/zinc/99/32/41/849993241.db2.gz OPNKKTRKVKPZTG-UHFFFAOYSA-N -1 1 401.422 4.054 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)ccc1Cl ZINC000055633067 850082657 /nfs/dbraw/zinc/08/26/57/850082657.db2.gz UZSVINGCBQNDGG-UHFFFAOYSA-N -1 1 402.859 4.322 20 30 HIEDMM CC[C@H](CC#N)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436965124 862146966 /nfs/dbraw/zinc/14/69/66/862146966.db2.gz KJWCGVSGOQRQSC-GFCCVEGCSA-N -1 1 406.269 4.373 20 30 HIEDMM C[C@@H](C#N)CN(C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000063747142 851753584 /nfs/dbraw/zinc/75/35/84/851753584.db2.gz ZSKZVKOLHBGRDN-NSHDSACASA-N -1 1 406.269 4.183 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1Cl ZINC000063878325 851783784 /nfs/dbraw/zinc/78/37/84/851783784.db2.gz RZFRGUVABYIZNM-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)c3ccccc3OC(C)C)n2)n[n-]c1=S ZINC000261454458 854268358 /nfs/dbraw/zinc/26/83/58/854268358.db2.gz NIRBTLNMZBNSHK-UHFFFAOYSA-N -1 1 415.544 4.213 20 30 HIEDMM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(F)cc1Br ZINC000389891580 855452594 /nfs/dbraw/zinc/45/25/94/855452594.db2.gz NYQHRXHPYKLALZ-UHFFFAOYSA-N -1 1 403.660 4.223 20 30 HIEDMM C=CCOc1c(Br)cc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000426779756 856474431 /nfs/dbraw/zinc/47/44/31/856474431.db2.gz LBAQSTFUYCKHLA-QGZVFWFLSA-N -1 1 424.266 4.077 20 30 HIEDMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000427138859 856663521 /nfs/dbraw/zinc/66/35/21/856663521.db2.gz ZOJHDHWBWGNZBV-UHFFFAOYSA-N -1 1 422.890 4.000 20 30 HIEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cccc1-c1ncco1 ZINC000427291407 856755352 /nfs/dbraw/zinc/75/53/52/856755352.db2.gz FXTRRFQCDOORLB-UHFFFAOYSA-N -1 1 418.272 4.085 20 30 HIEDMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1Cl)C(C)C ZINC000427334522 856778376 /nfs/dbraw/zinc/77/83/76/856778376.db2.gz AQDMRKOUIXKKCB-UHFFFAOYSA-N -1 1 423.897 4.022 20 30 HIEDMM C=C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000428040284 857052834 /nfs/dbraw/zinc/05/28/34/857052834.db2.gz JEBSEKIGRBRPBK-LJQANCHMSA-N -1 1 414.527 4.067 20 30 HIEDMM C=C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000428046140 857053584 /nfs/dbraw/zinc/05/35/84/857053584.db2.gz TVLJXVKSBOEWOD-GOSISDBHSA-N -1 1 402.491 4.116 20 30 HIEDMM C=C[C@@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000429474571 857687570 /nfs/dbraw/zinc/68/75/70/857687570.db2.gz YYUIRNHONPGCJT-LJQANCHMSA-N -1 1 402.491 4.116 20 30 HIEDMM N#CCSc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000430737077 858281815 /nfs/dbraw/zinc/28/18/15/858281815.db2.gz AGHMSSKVOBEIMC-UHFFFAOYSA-N -1 1 423.519 4.355 20 30 HIEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000431855391 858841561 /nfs/dbraw/zinc/84/15/61/858841561.db2.gz RXTWRJGZCSKGLA-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1 ZINC000432459937 859172591 /nfs/dbraw/zinc/17/25/91/859172591.db2.gz BHHIEXHAOBWCMA-UHFFFAOYSA-N -1 1 421.265 4.248 20 30 HIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c1 ZINC000432470910 859180271 /nfs/dbraw/zinc/18/02/71/859180271.db2.gz VUSJESUITPRINT-UHFFFAOYSA-N -1 1 421.265 4.248 20 30 HIEDMM O=S(=O)([N-][C@@H](c1cc(F)ccc1F)C(F)F)c1ccccc1C(F)(F)F ZINC000432952081 859444898 /nfs/dbraw/zinc/44/48/98/859444898.db2.gz XNGBYAQNQZFFSW-ZDUSSCGKSA-N -1 1 401.303 4.268 20 30 HIEDMM CC(=Cc1ccc(Br)c(Br)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339590 860749367 /nfs/dbraw/zinc/74/93/67/860749367.db2.gz VXPUGITUNZNRSR-VMPITWQZSA-N -1 1 409.081 4.036 20 30 HIEDMM N#CC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)CCCC1 ZINC000438038663 863399109 /nfs/dbraw/zinc/39/91/09/863399109.db2.gz BJUBIBIWHFEHOD-UHFFFAOYSA-N -1 1 421.881 4.302 20 30 HIEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000438806557 864297056 /nfs/dbraw/zinc/29/70/56/864297056.db2.gz PQXYDMWSRUEIDC-UHFFFAOYSA-N -1 1 405.195 4.140 20 30 HIEDMM COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000442954306 867762412 /nfs/dbraw/zinc/76/24/12/867762412.db2.gz RBENONFWJVIBOA-MRXNPFEDSA-N -1 1 401.260 4.012 20 30 HIEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000442961841 867765337 /nfs/dbraw/zinc/76/53/37/867765337.db2.gz JMPRJYFXXNXWAD-OAHLLOKOSA-N -1 1 403.301 4.335 20 30 HIEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1[O-] ZINC000443043885 867801115 /nfs/dbraw/zinc/80/11/15/867801115.db2.gz AZKZNZDQNDFAEF-INIZCTEOSA-N -1 1 408.502 4.180 20 30 HIEDMM CC(=O)Nc1ccc(C)c(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000444453979 868833980 /nfs/dbraw/zinc/83/39/80/868833980.db2.gz LFFXMPSYEPEUOW-MRXNPFEDSA-N -1 1 420.494 4.033 20 30 HIEDMM Cc1nc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])sc1SCC#N ZINC000444850664 869054316 /nfs/dbraw/zinc/05/43/16/869054316.db2.gz QENPNDJSSHGWHR-UHFFFAOYSA-N -1 1 419.307 4.052 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(NC(C)=O)c(F)c3)n2)cc1 ZINC000447518763 871387275 /nfs/dbraw/zinc/38/72/75/871387275.db2.gz DTYYURUSOWVVPG-MRXNPFEDSA-N -1 1 409.442 4.406 20 30 HIEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000464411772 877616741 /nfs/dbraw/zinc/61/67/41/877616741.db2.gz QQYGOTBUUGRKHH-UHFFFAOYSA-N -1 1 410.499 4.292 20 30 HIEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000472208409 887009084 /nfs/dbraw/zinc/00/90/84/887009084.db2.gz NQMHZFRBYPVBGO-UHFFFAOYSA-N -1 1 420.472 4.134 20 30 HIEDMM N#Cc1cnc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(Cl)c1 ZINC000474778997 889636821 /nfs/dbraw/zinc/63/68/21/889636821.db2.gz GJMOXTBFPQELNQ-UHFFFAOYSA-N -1 1 416.865 4.159 20 30 HIEDMM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1F ZINC000475818839 890752835 /nfs/dbraw/zinc/75/28/35/890752835.db2.gz CUBCXKCUSRPAHN-UHFFFAOYSA-N -1 1 412.442 4.493 20 30 HIEDMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000476412402 891325340 /nfs/dbraw/zinc/32/53/40/891325340.db2.gz RFSRSZJOYOIYHP-LLVKDONJSA-N -1 1 424.931 4.399 20 30 HIEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c2ccccc12 ZINC000476545406 891460374 /nfs/dbraw/zinc/46/03/74/891460374.db2.gz WHUMERQXTXKGMC-UHFFFAOYSA-N -1 1 407.495 4.400 20 30 HIEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccc(Br)cc3)nc(=O)c2c1C ZINC000478179599 893344182 /nfs/dbraw/zinc/34/41/82/893344182.db2.gz KTCSCUYWYGUSKV-LBPRGKRZSA-N -1 1 417.288 4.022 20 30 HIEDMM C=C(C)[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(F)c(F)c1 ZINC000478918133 894199703 /nfs/dbraw/zinc/19/97/03/894199703.db2.gz AKLKHBZWRMWCCJ-NRFANRHFSA-N -1 1 424.451 4.197 20 30 HIEDMM C=CCOc1ccccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000479120646 894388700 /nfs/dbraw/zinc/38/87/00/894388700.db2.gz KKLGLWNWNMYDIG-UHFFFAOYSA-N -1 1 408.479 4.305 20 30 HIEDMM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000479480654 894802840 /nfs/dbraw/zinc/80/28/40/894802840.db2.gz MTIBPCVGCLXUAX-SIFCLUCFSA-N -1 1 406.573 4.218 20 30 HIEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)cc1 ZINC000479486310 894808037 /nfs/dbraw/zinc/80/80/37/894808037.db2.gz HZNRPKHORCSGIH-UHFFFAOYSA-N -1 1 401.285 4.469 20 30 HIEDMM Cc1ccc(NC(=O)c2cccc(CC#N)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000480607055 895973344 /nfs/dbraw/zinc/97/33/44/895973344.db2.gz DFCSPRRHVLBUKC-UHFFFAOYSA-N -1 1 405.479 4.114 20 30 HIEDMM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1I ZINC000483227499 898870355 /nfs/dbraw/zinc/87/03/55/898870355.db2.gz BXWPXHLESXKPGD-ZDUSSCGKSA-N -1 1 413.218 4.033 20 30 HIEDMM N#CC(=C([O-])c1cccc(N2CCCNC2=O)c1)c1nc2cc(Cl)ccc2s1 ZINC000484564498 900036243 /nfs/dbraw/zinc/03/62/43/900036243.db2.gz ALGXSKUMRLHCTC-OAHLLOKOSA-N -1 1 410.886 4.359 20 30 HIEDMM C[C@@H](C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000485664296 900915829 /nfs/dbraw/zinc/91/58/29/900915829.db2.gz UAMHJZLWSVXFMM-OAHLLOKOSA-N -1 1 423.469 4.240 20 30 HIEDMM N#CC(=C([O-])c1cccc(COC2CCOCC2)c1)c1nc(-c2ccncc2)cs1 ZINC000487922332 902453944 /nfs/dbraw/zinc/45/39/44/902453944.db2.gz WYXYIUIKCYUOJU-HXUWFJFHSA-N -1 1 419.506 4.391 20 30 HIEDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)c(C#N)c2)cc1 ZINC000488358187 902780432 /nfs/dbraw/zinc/78/04/32/902780432.db2.gz QNMYRBPNSODJAI-UHFFFAOYSA-N -1 1 408.479 4.340 20 30 HIEDMM Cn1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1C1CCC1 ZINC000495285771 906358378 /nfs/dbraw/zinc/35/83/78/906358378.db2.gz YMNFEOQVOOBABS-HNNXBMFYSA-N -1 1 406.511 4.372 20 30 HIEDMM CCOc1ccc(C#N)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000512798764 921313624 /nfs/dbraw/zinc/31/36/24/921313624.db2.gz WVQMDMXAQQMIPR-UHFFFAOYSA-N -1 1 421.478 4.010 20 30 HIEDMM O=C([N-]c1ccc(F)c(F)c1F)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000499323320 908698897 /nfs/dbraw/zinc/69/88/97/908698897.db2.gz FDGJBFNXLWRNIR-UHFFFAOYSA-N -1 1 404.245 4.095 20 30 HIEDMM N#CC(=C([O-])c1cccc(OC[C@@H]2CCCO2)c1)c1nc(-c2ccncc2)cs1 ZINC000512954228 921436400 /nfs/dbraw/zinc/43/64/00/921436400.db2.gz ZBUIFEBUTZKRAU-RBUKOAKNSA-N -1 1 405.479 4.253 20 30 HIEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000500367895 909817209 /nfs/dbraw/zinc/81/72/09/909817209.db2.gz SHMPGAUQBZCFEH-UHFFFAOYSA-N -1 1 413.421 4.122 20 30 HIEDMM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(F)c(F)c(F)c1 ZINC000507918931 916799425 /nfs/dbraw/zinc/79/94/25/916799425.db2.gz DYNWEVZNHJQOBD-ZDUSSCGKSA-N -1 1 401.303 4.215 20 30 HIEDMM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000509593195 918243010 /nfs/dbraw/zinc/24/30/10/918243010.db2.gz CPGOSYKZEOUBPD-UHFFFAOYSA-N -1 1 405.435 4.032 20 30 HIEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2C)c1 ZINC000511727656 920394531 /nfs/dbraw/zinc/39/45/31/920394531.db2.gz CASSWYFKHHWMCT-UHFFFAOYSA-N -1 1 422.462 4.246 20 30 HIEDMM Cc1c(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)oc2c1C(=O)CCC2 ZINC000513692756 922014335 /nfs/dbraw/zinc/01/43/35/922014335.db2.gz TYBMPBZXPWZDAA-LBPRGKRZSA-N -1 1 421.478 4.186 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Cn3cnc4ccccc43)cc2)ccc1Cl ZINC000517607657 926716066 /nfs/dbraw/zinc/71/60/66/926716066.db2.gz VDAXZUXEMNLZSE-UHFFFAOYSA-N -1 1 422.897 4.410 20 30 HIEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1 ZINC000520924485 928876787 /nfs/dbraw/zinc/87/67/87/928876787.db2.gz YMHSMGMMLTWDHT-CQSZACIVSA-N -1 1 403.529 4.230 20 30 HIEDMM Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000525471371 930261894 /nfs/dbraw/zinc/26/18/94/930261894.db2.gz IWFYBXDUVPAUHN-UHFFFAOYSA-N -1 1 420.469 4.360 20 30 HIEDMM N#CC(=C([O-])c1cccc(-n2ccnn2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000534468956 932491262 /nfs/dbraw/zinc/49/12/62/932491262.db2.gz KIMSAGCKXVQEFL-CQSZACIVSA-N -1 1 407.405 4.159 20 30 HIEDMM N#CC(=C([O-])c1ccccc1OCc1cccc(Br)c1)c1ccncn1 ZINC000546153729 940715249 /nfs/dbraw/zinc/71/52/49/940715249.db2.gz SVPXHMDWSDDLCK-QGZVFWFLSA-N -1 1 408.255 4.308 20 30 HIEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)(C)CCC#N)cc2)c1 ZINC000557998380 943350122 /nfs/dbraw/zinc/35/01/22/943350122.db2.gz WZRXZHVXSQVVPJ-UHFFFAOYSA-N -1 1 413.543 4.164 20 30 HIEDMM N#CCCCOc1cccc(CN[C@H](C(=O)[O-])c2ccccc2Br)c1 ZINC000568824862 946721228 /nfs/dbraw/zinc/72/12/28/946721228.db2.gz YRFAJLOSWIVMKX-SFHVURJKSA-N -1 1 403.276 4.047 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)cc1 ZINC000008125651 845480095 /nfs/dbraw/zinc/48/00/95/845480095.db2.gz YQKFDMUQVHLPHQ-UHFFFAOYSA-N -1 1 405.479 4.114 20 30 HIEDMM CCSc1nnc([N-]C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)s1 ZINC000021344368 846432570 /nfs/dbraw/zinc/43/25/70/846432570.db2.gz JJGGXKSHQYCBJC-UHFFFAOYSA-N -1 1 421.573 4.093 20 30 HIEDMM C=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000021930335 846512856 /nfs/dbraw/zinc/51/28/56/846512856.db2.gz WYRPTFCVXSPMNZ-UHFFFAOYSA-N -1 1 412.536 4.377 20 30 HIEDMM C=CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000024497437 846832184 /nfs/dbraw/zinc/83/21/84/846832184.db2.gz ITRRQXMCTJPBGY-UHFFFAOYSA-N -1 1 424.497 4.455 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OCc3cccc(C#N)c3)c2)c1 ZINC000026246362 847111222 /nfs/dbraw/zinc/11/12/22/847111222.db2.gz HZQYXTGNZTYFFK-UHFFFAOYSA-N -1 1 406.463 4.025 20 30 HIEDMM C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000029587399 847584158 /nfs/dbraw/zinc/58/41/58/847584158.db2.gz XZBLZIKGTHICDO-OAHLLOKOSA-N -1 1 422.466 4.440 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)c2)c1 ZINC000031434967 847884577 /nfs/dbraw/zinc/88/45/77/847884577.db2.gz CIQYBQTWNJFRDD-KRWDZBQOSA-N -1 1 419.506 4.159 20 30 HIEDMM C=CCCCN(C)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436539916 861842325 /nfs/dbraw/zinc/84/23/25/861842325.db2.gz VECFGFNVIHTMMZ-UHFFFAOYSA-N -1 1 417.303 4.445 20 30 HIEDMM C=CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436547978 861845818 /nfs/dbraw/zinc/84/58/18/861845818.db2.gz KXSPDMJAVLPKEG-LBPRGKRZSA-N -1 1 403.276 4.101 20 30 HIEDMM C=CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436547975 861845851 /nfs/dbraw/zinc/84/58/51/861845851.db2.gz KXSPDMJAVLPKEG-GFCCVEGCSA-N -1 1 403.276 4.101 20 30 HIEDMM C[C@H](C#N)CN(C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436553281 861848479 /nfs/dbraw/zinc/84/84/79/861848479.db2.gz ZSKZVKOLHBGRDN-LLVKDONJSA-N -1 1 406.269 4.183 20 30 HIEDMM C=C1CCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])CC1 ZINC000436569190 861854949 /nfs/dbraw/zinc/85/49/49/861854949.db2.gz AXMUVYHZOZRCHS-UHFFFAOYSA-N -1 1 415.287 4.199 20 30 HIEDMM N#CC(=C([O-])c1cccc(C(N)=O)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000041538671 848228343 /nfs/dbraw/zinc/22/83/43/848228343.db2.gz JOTAWWVPGXQGAS-MRJKMQNQSA-N -1 1 405.523 4.200 20 30 HIEDMM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548656 848230013 /nfs/dbraw/zinc/23/00/13/848230013.db2.gz UEWNPQRNQIBUTM-GFCCVEGCSA-N -1 1 404.373 4.296 20 30 HIEDMM Cc1sc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)cc1[N+](=O)[O-] ZINC000045173403 848643442 /nfs/dbraw/zinc/64/34/42/848643442.db2.gz UWTUFSAQRKKKOX-UHFFFAOYSA-N -1 1 417.497 4.233 20 30 HIEDMM CCOc1cc(-c2noc(COc3ccc(C#N)cc3)n2)cc(Br)c1[O-] ZINC000436770377 861960171 /nfs/dbraw/zinc/96/01/71/861960171.db2.gz OKBIBBJSPHBDCE-UHFFFAOYSA-N -1 1 416.231 4.054 20 30 HIEDMM Cc1nn(C)c2nc(-c3cccs3)cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)c12 ZINC000047359290 849031913 /nfs/dbraw/zinc/03/19/13/849031913.db2.gz GUILAROQTCURNF-CQSZACIVSA-N -1 1 412.478 4.372 20 30 HIEDMM CCn1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c2ccccc21 ZINC000047362165 849032460 /nfs/dbraw/zinc/03/24/60/849032460.db2.gz SHTONHORBXJZGE-HNNXBMFYSA-N -1 1 416.506 4.328 20 30 HIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063912393 851792304 /nfs/dbraw/zinc/79/23/04/851792304.db2.gz OJLOAAPTQLAVMY-UHFFFAOYSA-N -1 1 402.369 4.328 20 30 HIEDMM Cc1cccc2cc(C(=O)[C@H](C#N)c3nc(=O)c4c5c(sc4[n-]3)CCCC5)oc21 ZINC000146858166 853577632 /nfs/dbraw/zinc/57/76/32/853577632.db2.gz VCBAXJRUOHQMCQ-AWEZNQCLSA-N -1 1 403.463 4.408 20 30 HIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000147473989 853588327 /nfs/dbraw/zinc/58/83/27/853588327.db2.gz WRFVELOIIPBMEI-HIFRSBDPSA-N -1 1 407.455 4.418 20 30 HIEDMM N#CC(=C([O-])c1cc2c(c(Br)c1)OCO2)c1nc2ccccc2s1 ZINC000147848907 853595808 /nfs/dbraw/zinc/59/58/08/853595808.db2.gz IEUOUWOCNKMVBH-SNVBAGLBSA-N -1 1 401.241 4.278 20 30 HIEDMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000324929498 855401649 /nfs/dbraw/zinc/40/16/49/855401649.db2.gz UXKNRVIMKBMOIK-UHFFFAOYSA-N -1 1 419.222 4.449 20 30 HIEDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1 ZINC000427126654 856655586 /nfs/dbraw/zinc/65/55/86/856655586.db2.gz QLMPMNPEYRAIFV-LLVKDONJSA-N -1 1 401.492 4.148 20 30 HIEDMM C=C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000428039283 857050942 /nfs/dbraw/zinc/05/09/42/857050942.db2.gz DHMARUILKMOQAO-MRXNPFEDSA-N -1 1 422.909 4.461 20 30 HIEDMM N#C[C@H](C(=O)c1cnc2c(F)cccc2c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000429674283 857830584 /nfs/dbraw/zinc/83/05/84/857830584.db2.gz KEHVFFUEYWRQGH-CQSZACIVSA-N -1 1 418.453 4.453 20 30 HIEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000431189566 858494872 /nfs/dbraw/zinc/49/48/72/858494872.db2.gz FQOZANOPVIOGKA-UHFFFAOYSA-N -1 1 416.396 4.085 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1Br ZINC000432764507 859344166 /nfs/dbraw/zinc/34/41/66/859344166.db2.gz VTZWRHQSUDQSAN-UHFFFAOYSA-N -1 1 420.313 4.245 20 30 HIEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[nH]n1 ZINC000434973229 860582181 /nfs/dbraw/zinc/58/21/81/860582181.db2.gz SECPHSKHQHGRDD-UHFFFAOYSA-N -1 1 406.389 4.076 20 30 HIEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1C#N ZINC000435146224 860664173 /nfs/dbraw/zinc/66/41/73/860664173.db2.gz JIHHYSYWIODIOA-UHFFFAOYSA-N -1 1 409.389 4.037 20 30 HIEDMM CC(=Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339462 860749034 /nfs/dbraw/zinc/74/90/34/860749034.db2.gz UEMWNIJNOKTRJI-DZFYGRHCSA-N -1 1 417.309 4.383 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3)c2C)ccc1C#N ZINC000435728999 861011245 /nfs/dbraw/zinc/01/12/45/861011245.db2.gz AQEGRGBIBRCDLJ-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2C)ccc1C#N ZINC000435759589 861040138 /nfs/dbraw/zinc/04/01/38/861040138.db2.gz LLARPLHDGNFSKM-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM Cc1c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cnn1-c1ccc(Cl)cc1 ZINC000437934472 863310099 /nfs/dbraw/zinc/31/00/99/863310099.db2.gz NDLRIBRUOSFDPS-UHFFFAOYSA-N -1 1 407.282 4.160 20 30 HIEDMM CC#CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438055561 863423116 /nfs/dbraw/zinc/42/31/16/863423116.db2.gz FIAUTDTYZLSSSU-UHFFFAOYSA-N -1 1 408.882 4.412 20 30 HIEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)ccc1F ZINC000438767591 864262335 /nfs/dbraw/zinc/26/23/35/864262335.db2.gz RKMPOKLHWSDHDP-UHFFFAOYSA-N -1 1 423.185 4.279 20 30 HIEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000438806870 864296971 /nfs/dbraw/zinc/29/69/71/864296971.db2.gz CDFAZHNDJODXFL-UHFFFAOYSA-N -1 1 419.222 4.335 20 30 HIEDMM N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000440945880 866040571 /nfs/dbraw/zinc/04/05/71/866040571.db2.gz RZEQYNSVDLJSIR-UHFFFAOYSA-N -1 1 412.833 4.020 20 30 HIEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1[O-] ZINC000442956612 867763703 /nfs/dbraw/zinc/76/37/03/867763703.db2.gz PHXHYVINXFDRIA-KRWDZBQOSA-N -1 1 418.280 4.204 20 30 HIEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1[O-] ZINC000442963380 867768005 /nfs/dbraw/zinc/76/80/05/867768005.db2.gz MASWAJPNCWZLGF-KRWDZBQOSA-N -1 1 418.280 4.204 20 30 HIEDMM COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1)CCO2 ZINC000443278578 867888599 /nfs/dbraw/zinc/88/85/99/867888599.db2.gz DPLZLLJAXIIGCM-QFIPXVFZSA-N -1 1 414.461 4.439 20 30 HIEDMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)c1 ZINC000443400711 867959586 /nfs/dbraw/zinc/95/95/86/867959586.db2.gz AEKVCZJBDJPXHY-UHFFFAOYSA-N -1 1 409.467 4.254 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)ccc1C(F)(F)F ZINC000443403395 867968899 /nfs/dbraw/zinc/96/88/99/867968899.db2.gz AVYSWKPVNAEHQN-UHFFFAOYSA-N -1 1 408.401 4.361 20 30 HIEDMM CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1C ZINC000443532134 868090970 /nfs/dbraw/zinc/09/09/70/868090970.db2.gz MUXCSEOJGNTZLI-OAHLLOKOSA-N -1 1 420.494 4.033 20 30 HIEDMM C=C(C)C[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000468332473 882265445 /nfs/dbraw/zinc/26/54/45/882265445.db2.gz RAYZPBBZYMHKKP-CYBMUJFWSA-N -1 1 408.907 4.387 20 30 HIEDMM N#CC(=C([O-])c1cnn(Cc2ccccc2Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000464464092 877686344 /nfs/dbraw/zinc/68/63/44/877686344.db2.gz CTCPBNUUFHIIHP-HNNXBMFYSA-N -1 1 404.779 4.489 20 30 HIEDMM N#CC(=C([O-])c1cnn(Cc2ccccc2Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000464464094 877686697 /nfs/dbraw/zinc/68/66/97/877686697.db2.gz CTCPBNUUFHIIHP-OAHLLOKOSA-N -1 1 404.779 4.489 20 30 HIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccc(Cl)cc1 ZINC000473485609 888206592 /nfs/dbraw/zinc/20/65/92/888206592.db2.gz AJATYVMLHRTYKV-INIZCTEOSA-N -1 1 403.873 4.465 20 30 HIEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000474357277 889235858 /nfs/dbraw/zinc/23/58/58/889235858.db2.gz WYUYSODRULEUEX-UHFFFAOYSA-N -1 1 416.481 4.491 20 30 HIEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000474640179 889502541 /nfs/dbraw/zinc/50/25/41/889502541.db2.gz NTTQYVNNYAFDRW-UHFFFAOYSA-N -1 1 416.481 4.491 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000475790594 890729296 /nfs/dbraw/zinc/72/92/96/890729296.db2.gz AUNFFFWJXMRVEN-UHFFFAOYSA-N -1 1 421.453 4.143 20 30 HIEDMM Cc1nnc(Sc2ccc([N-]S(=O)(=O)c3ccccc3CC#N)c(C)c2)s1 ZINC000475808217 890743428 /nfs/dbraw/zinc/74/34/28/890743428.db2.gz FSXIFVHMNVRVAQ-UHFFFAOYSA-N -1 1 416.553 4.173 20 30 HIEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2C#Cc2ccccc2)ccc1C ZINC000476416652 891330177 /nfs/dbraw/zinc/33/01/77/891330177.db2.gz HENKCNSMKQSPMM-UHFFFAOYSA-N -1 1 404.491 4.154 20 30 HIEDMM COC(=O)c1cc(F)cc([N-]C(=O)c2occc2COc2cccc(C#N)c2)c1F ZINC000478074978 893237781 /nfs/dbraw/zinc/23/77/81/893237781.db2.gz IRKHVNPQDAFLBA-UHFFFAOYSA-N -1 1 412.348 4.047 20 30 HIEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)CC#N)c2)cc1 ZINC000505153924 913845572 /nfs/dbraw/zinc/84/55/72/913845572.db2.gz ANAUIHTZTHHDIC-KRWDZBQOSA-N -1 1 413.543 4.204 20 30 HIEDMM CC(C)CCN(CCC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000505198633 913877764 /nfs/dbraw/zinc/87/77/64/913877764.db2.gz XDKJSBMCNNLGML-UHFFFAOYSA-N -1 1 417.506 4.028 20 30 HIEDMM CC(C)CCN(CCC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000505207496 913883851 /nfs/dbraw/zinc/88/38/51/913883851.db2.gz QPFUHAGZVWTCHN-UHFFFAOYSA-N -1 1 417.506 4.028 20 30 HIEDMM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(F)c1 ZINC000479466847 894789268 /nfs/dbraw/zinc/78/92/68/894789268.db2.gz JTLRSMZGCUYWKA-UHFFFAOYSA-N -1 1 410.854 4.107 20 30 HIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000479480650 894803103 /nfs/dbraw/zinc/80/31/03/894803103.db2.gz MTIBPCVGCLXUAX-AVYPCKFXSA-N -1 1 406.573 4.218 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C(=O)N(C)C)cc3)n2)cc1 ZINC000481828159 897198954 /nfs/dbraw/zinc/19/89/54/897198954.db2.gz BPPRBSMUQMQTBP-SFHVURJKSA-N -1 1 405.479 4.011 20 30 HIEDMM N#CC(=C([O-])c1cc(OC(F)F)cc(OC(F)F)c1)c1cnc2ccccc2n1 ZINC000483221773 898867409 /nfs/dbraw/zinc/86/74/09/898867409.db2.gz APOVINMNOCKWEB-ZDUSSCGKSA-N -1 1 405.307 4.323 20 30 HIEDMM N#C[C@H](C(=O)c1ccnn1C1CCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000483444608 899079940 /nfs/dbraw/zinc/07/99/40/899079940.db2.gz WCIHHBZTOOECKJ-CQSZACIVSA-N -1 1 407.499 4.077 20 30 HIEDMM N#CC(=C([O-])c1ccc(Br)c2c1OCCC2)c1cnc2ccccc2n1 ZINC000490861199 904291203 /nfs/dbraw/zinc/29/12/03/904291203.db2.gz WBVHQRYRTPQDIN-CQSZACIVSA-N -1 1 408.255 4.207 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(-n3nc(C)c(CC)c3C)c2)n1 ZINC000500442953 909862754 /nfs/dbraw/zinc/86/27/54/909862754.db2.gz RLDPJEBRINULPX-GOSISDBHSA-N -1 1 422.510 4.175 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000513369396 921743898 /nfs/dbraw/zinc/74/38/98/921743898.db2.gz DRZZVZWLXYXJMD-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000509596251 918245698 /nfs/dbraw/zinc/24/56/98/918245698.db2.gz OLNFGXFSFYYGLN-UHFFFAOYSA-N -1 1 405.435 4.032 20 30 HIEDMM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1-c1ccnn1C ZINC000509862825 918465340 /nfs/dbraw/zinc/46/53/40/918465340.db2.gz HRZKYVIOXYQJQI-KRWDZBQOSA-N -1 1 415.478 4.104 20 30 HIEDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1 ZINC000518242272 927101811 /nfs/dbraw/zinc/10/18/11/927101811.db2.gz YTJBRENQSHUJBN-MRXNPFEDSA-N -1 1 420.556 4.297 20 30 HIEDMM CCC(CC)CN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000519115620 927783530 /nfs/dbraw/zinc/78/35/30/927783530.db2.gz DJDGIVVGDMTKLM-UHFFFAOYSA-N -1 1 413.543 4.279 20 30 HIEDMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(CC)CC#N)ccc2C)cc1 ZINC000520113571 928320786 /nfs/dbraw/zinc/32/07/86/928320786.db2.gz QXMIVTBEAYEINO-UHFFFAOYSA-N -1 1 413.543 4.124 20 30 HIEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)cc1OC ZINC000520627496 928683934 /nfs/dbraw/zinc/68/39/34/928683934.db2.gz OFWWECYHLKAPSG-UHFFFAOYSA-N -1 1 410.451 4.169 20 30 HIEDMM Cc1ccc(C#N)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000531863806 931225697 /nfs/dbraw/zinc/22/56/97/931225697.db2.gz NEZSNKWSVMQKEH-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM N#Cc1ccccc1Oc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1Cl ZINC000535648780 933289654 /nfs/dbraw/zinc/28/96/54/933289654.db2.gz QCJWSALBJLFUFA-UHFFFAOYSA-N -1 1 407.739 4.393 20 30 HIEDMM N#CC(=C([O-])c1cccnc1OCC(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000537666663 938349766 /nfs/dbraw/zinc/34/97/66/938349766.db2.gz SIIQMCXGXYGVEE-NSHDSACASA-N -1 1 410.302 4.258 20 30 HIEDMM C=CCOc1cccnc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000538237984 938569948 /nfs/dbraw/zinc/56/99/48/938569948.db2.gz VAYDDMFMCPFUQO-UHFFFAOYSA-N -1 1 423.494 4.008 20 30 HIEDMM C=CCCC[C@H](C)NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000540566344 939306703 /nfs/dbraw/zinc/30/67/03/939306703.db2.gz HQWWVTOUFQYRHX-KRWDZBQOSA-N -1 1 401.532 4.031 20 30 HIEDMM Cc1nc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)[n-]c(=O)c1C ZINC000540712036 939345581 /nfs/dbraw/zinc/34/55/81/939345581.db2.gz CQGLRCRSAOKYFL-GFCCVEGCSA-N -1 1 402.545 4.120 20 30 HIEDMM CCSc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)ccn1 ZINC000543573039 940115220 /nfs/dbraw/zinc/11/52/20/940115220.db2.gz SUENAZMLBURIFE-ZDUSSCGKSA-N -1 1 410.524 4.273 20 30 HIEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1nccc(C#N)c1Cl ZINC000553367321 941873916 /nfs/dbraw/zinc/87/39/16/941873916.db2.gz JSQVOJJDJVMFMC-UHFFFAOYSA-N -1 1 412.902 4.044 20 30 HIEDMM O=C([N-]c1cc(F)cc(F)c1F)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000558240843 943453025 /nfs/dbraw/zinc/45/30/25/943453025.db2.gz QJVSDZFHWFXWOT-UHFFFAOYSA-N -1 1 404.245 4.095 20 30 HIEDMM COc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)c1OC ZINC000561962129 944877091 /nfs/dbraw/zinc/87/70/91/944877091.db2.gz VSDBGQRHEGXVCY-AWEZNQCLSA-N -1 1 423.494 4.091 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)cc1C(F)(F)F ZINC000564568125 945682150 /nfs/dbraw/zinc/68/21/50/945682150.db2.gz QCMNKLDPILHXEW-UHFFFAOYSA-N -1 1 403.385 4.440 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)SCC(=O)N4)n2)cc1 ZINC000574443600 948446010 /nfs/dbraw/zinc/44/60/10/948446010.db2.gz NYKOWKKFKCZGHD-OAHLLOKOSA-N -1 1 421.503 4.353 20 30 HIEDMM N#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000008114991 845476987 /nfs/dbraw/zinc/47/69/87/845476987.db2.gz NTCFMNVTQTVVDM-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 ZINC000009856129 845597061 /nfs/dbraw/zinc/59/70/61/845597061.db2.gz LKQNGSKWIFCSGP-UHFFFAOYSA-N -1 1 421.478 4.010 20 30 HIEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C#N)c2)c1 ZINC000010897070 845724091 /nfs/dbraw/zinc/72/40/91/845724091.db2.gz LOFKYQSUDWCNEX-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM C=CCN(Cc1cccs1)C(=O)CCn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000024638962 846846791 /nfs/dbraw/zinc/84/67/91/846846791.db2.gz OBIVANPZTSMVNY-UHFFFAOYSA-N -1 1 414.556 4.283 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000028492205 847427785 /nfs/dbraw/zinc/42/77/85/847427785.db2.gz ADPCKVFFINCMPR-UHFFFAOYSA-N -1 1 404.919 4.263 20 30 HIEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000029329359 847547011 /nfs/dbraw/zinc/54/70/11/847547011.db2.gz XFLZKJRCZMGRJD-UHFFFAOYSA-N -1 1 400.287 4.102 20 30 HIEDMM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000436476167 861819179 /nfs/dbraw/zinc/81/91/79/861819179.db2.gz IWTANTOUPNQGQV-UHFFFAOYSA-N -1 1 423.185 4.279 20 30 HIEDMM N#CC(=C([O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000041537011 848227208 /nfs/dbraw/zinc/22/72/08/848227208.db2.gz OTAOWSMBZOMVKV-MRXNPFEDSA-N -1 1 415.434 4.394 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(CC#N)c3)ccc2C)c1 ZINC000044946584 848615819 /nfs/dbraw/zinc/61/58/19/848615819.db2.gz PYFMFVJWHBKYSM-UHFFFAOYSA-N -1 1 419.506 4.423 20 30 HIEDMM Cc1nn(C)c2nc(-c3cccs3)cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)c12 ZINC000047359292 849031408 /nfs/dbraw/zinc/03/14/08/849031408.db2.gz GUILAROQTCURNF-AWEZNQCLSA-N -1 1 412.478 4.372 20 30 HIEDMM C=CCOc1cccnc1-c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000436848954 862025555 /nfs/dbraw/zinc/02/55/55/862025555.db2.gz XUZUQAJXRCKSDQ-UHFFFAOYSA-N -1 1 418.247 4.230 20 30 HIEDMM CC1(C)CCCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])[C@@H]1C#N ZINC000436911046 862088541 /nfs/dbraw/zinc/08/85/41/862088541.db2.gz RMXQXXBZLBXEFG-LJQANCHMSA-N -1 1 413.424 4.077 20 30 HIEDMM Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000057994782 850750810 /nfs/dbraw/zinc/75/08/10/850750810.db2.gz TVNLZDXJJWBWBM-UHFFFAOYSA-N -1 1 423.469 4.253 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C#N)ccc3C)cc2)ccc1F ZINC000064070450 851824113 /nfs/dbraw/zinc/82/41/13/851824113.db2.gz BGYXSOBLJSCXRW-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM C=CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1ccccc1F ZINC000195569264 853688404 /nfs/dbraw/zinc/68/84/04/853688404.db2.gz RECCRBDGWGDCIB-UHFFFAOYSA-N -1 1 409.442 4.375 20 30 HIEDMM N#CCCn1cc(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)c2ccccc21 ZINC000261384476 854243010 /nfs/dbraw/zinc/24/30/10/854243010.db2.gz ARUSVXOLYKPDMT-UHFFFAOYSA-N -1 1 406.389 4.044 20 30 HIEDMM CCOc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1OC ZINC000301764750 854461648 /nfs/dbraw/zinc/46/16/48/854461648.db2.gz RPYZBVRIENQJFW-AWEZNQCLSA-N -1 1 423.494 4.173 20 30 HIEDMM Cn1c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)cc2nc1C1CC1 ZINC000410349872 855942503 /nfs/dbraw/zinc/94/25/03/855942503.db2.gz BZHBDHRAMKABBQ-UHFFFAOYSA-N -1 1 420.416 4.142 20 30 HIEDMM N#Cc1ccc(CCC(=O)Nc2cc([O-])c(Br)cc2Br)cc1 ZINC000431453093 858623720 /nfs/dbraw/zinc/62/37/20/858623720.db2.gz ZZZZWHYKDCKESP-UHFFFAOYSA-N -1 1 424.092 4.360 20 30 HIEDMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)cc2s1 ZINC000432761957 859341840 /nfs/dbraw/zinc/34/18/40/859341840.db2.gz CGYKUOLYLLQUTP-UHFFFAOYSA-N -1 1 408.302 4.040 20 30 HIEDMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432766120 859345511 /nfs/dbraw/zinc/34/55/11/859345511.db2.gz FWPLBPVVVFAPKU-UHFFFAOYSA-N -1 1 411.346 4.027 20 30 HIEDMM CC(=O)c1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)ccc1C ZINC000434619392 860432854 /nfs/dbraw/zinc/43/28/54/860432854.db2.gz RUPMFWOMCWVFEX-MRXNPFEDSA-N -1 1 405.479 4.277 20 30 HIEDMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)c2)n1 ZINC000435158311 860670078 /nfs/dbraw/zinc/67/00/78/860670078.db2.gz SHQNRQNCVSDWAC-UHFFFAOYSA-N -1 1 418.400 4.143 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1C(F)(F)F ZINC000435171325 860676436 /nfs/dbraw/zinc/67/64/36/860676436.db2.gz OYHLIZLXECGKCE-UHFFFAOYSA-N -1 1 410.417 4.304 20 30 HIEDMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1Cl ZINC000435725038 861008453 /nfs/dbraw/zinc/00/84/53/861008453.db2.gz WGBWYLVYENSTMP-UHFFFAOYSA-N -1 1 419.934 4.239 20 30 HIEDMM Cc1nnc(Sc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c(C)c2)s1 ZINC000435735625 861016708 /nfs/dbraw/zinc/01/67/08/861016708.db2.gz OPJIGZWTEZYZLO-UHFFFAOYSA-N -1 1 416.553 4.287 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(COCC(F)(F)C(F)F)c2)ccc1C#N ZINC000435755992 861034064 /nfs/dbraw/zinc/03/40/64/861034064.db2.gz OIUSMSFVIPPHQO-UHFFFAOYSA-N -1 1 416.396 4.085 20 30 HIEDMM CCCc1c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cnn1-c1cccc(C#N)c1 ZINC000440092768 865354576 /nfs/dbraw/zinc/35/45/76/865354576.db2.gz QGEQIYGPNKZFPQ-UHFFFAOYSA-N -1 1 418.501 4.050 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(NC(=O)CC(C)C)c(C)c2)n1 ZINC000442830690 867691794 /nfs/dbraw/zinc/69/17/94/867691794.db2.gz ZSVNWMYZGMPCOO-OAHLLOKOSA-N -1 1 413.499 4.103 20 30 HIEDMM CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442899798 867730345 /nfs/dbraw/zinc/73/03/45/867730345.db2.gz NVUVKHKYMGQZGA-UHFFFAOYSA-N -1 1 414.490 4.450 20 30 HIEDMM CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1C ZINC000443532131 868090463 /nfs/dbraw/zinc/09/04/63/868090463.db2.gz MUXCSEOJGNTZLI-HNNXBMFYSA-N -1 1 420.494 4.033 20 30 HIEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ccoc3Br)s2)cc1 ZINC000444859513 869060827 /nfs/dbraw/zinc/06/08/27/869060827.db2.gz NXMMLJIBSWJQAX-UHFFFAOYSA-N -1 1 421.301 4.310 20 30 HIEDMM CCN(C(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1Cl)C(C)C ZINC000447268213 871151837 /nfs/dbraw/zinc/15/18/37/871151837.db2.gz SNWKRTFNXNUJTL-UHFFFAOYSA-N -1 1 419.934 4.191 20 30 HIEDMM Cc1c(=O)[n-]c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nc1-c1ccccc1 ZINC000460428321 873090927 /nfs/dbraw/zinc/09/09/27/873090927.db2.gz OIVXCHYJNGSRLU-UHFFFAOYSA-N -1 1 410.886 4.414 20 30 HIEDMM CSc1nc(C)c(CCC(=O)Nc2ccccc2C#Cc2ccccc2)c(=O)[n-]1 ZINC000471514733 886215469 /nfs/dbraw/zinc/21/54/69/886215469.db2.gz NFFHBSIJJWTWMY-UHFFFAOYSA-N -1 1 403.507 4.184 20 30 HIEDMM CCCCn1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)n1 ZINC000473488378 888210494 /nfs/dbraw/zinc/21/04/94/888210494.db2.gz JNUHCACDNCVRJJ-AWEZNQCLSA-N -1 1 409.515 4.071 20 30 HIEDMM COc1ccccc1COc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1C ZINC000475784586 890726211 /nfs/dbraw/zinc/72/62/11/890726211.db2.gz BNXCFQPVCCYXDV-UHFFFAOYSA-N -1 1 422.506 4.450 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)cc1Cl ZINC000475792483 890731373 /nfs/dbraw/zinc/73/13/73/890731373.db2.gz RRBNNUCXHOTUSI-UHFFFAOYSA-N -1 1 407.776 4.126 20 30 HIEDMM Cc1csc(Sc2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2)n1 ZINC000475821648 890754449 /nfs/dbraw/zinc/75/44/49/890754449.db2.gz OTRRIAJZWHBNON-UHFFFAOYSA-N -1 1 401.538 4.470 20 30 HIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)ccc2C)c1 ZINC000475827164 890760977 /nfs/dbraw/zinc/76/09/77/890760977.db2.gz HPCPAJZERABIBV-UHFFFAOYSA-N -1 1 410.495 4.280 20 30 HIEDMM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(F)c1 ZINC000479512651 894825967 /nfs/dbraw/zinc/82/59/67/894825967.db2.gz BXXDRRMXPMHCNF-UHFFFAOYSA-N -1 1 410.854 4.107 20 30 HIEDMM COC(=O)c1ccc([C@@H]([N-]C(=O)c2c(F)c(F)cc(F)c2F)C(F)(F)F)cc1 ZINC000484345076 899894261 /nfs/dbraw/zinc/89/42/61/899894261.db2.gz OZVNOJIAVBTHEG-CQSZACIVSA-N -1 1 409.257 4.063 20 30 HIEDMM Cc1ccc(Cl)cc1NC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000487493806 902224297 /nfs/dbraw/zinc/22/42/97/902224297.db2.gz BSYCZHFAWLFJKT-CYBMUJFWSA-N -1 1 412.902 4.483 20 30 HIEDMM C=CCN(CCc1ccco1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000496669735 906732671 /nfs/dbraw/zinc/73/26/71/906732671.db2.gz IRLBVKRDGMYXOT-UHFFFAOYSA-N -1 1 424.522 4.260 20 30 HIEDMM Cc1sc([N-]C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)c(C#N)c1C ZINC000499338273 908713562 /nfs/dbraw/zinc/71/35/62/908713562.db2.gz INXHIJOENDYNGC-UHFFFAOYSA-N -1 1 409.368 4.228 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)cc1 ZINC000501793777 910845652 /nfs/dbraw/zinc/84/56/52/910845652.db2.gz JNHYOZKHMNYCDJ-UHFFFAOYSA-N -1 1 414.527 4.009 20 30 HIEDMM Cc1ccc(NC(=O)c2cccc(C#N)c2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000513191195 921611342 /nfs/dbraw/zinc/61/13/42/921611342.db2.gz GMIIFQOVJYEJGY-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000513376038 921749611 /nfs/dbraw/zinc/74/96/11/921749611.db2.gz GAVXLEZIIDYVGO-UHFFFAOYSA-N -1 1 411.527 4.072 20 30 HIEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000511728691 920394275 /nfs/dbraw/zinc/39/42/75/920394275.db2.gz HSLDPJDHMKBJBS-UHFFFAOYSA-N -1 1 421.434 4.307 20 30 HIEDMM N#C[C@H](C(=O)c1cc2ccccc2[nH]c1=O)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000513682059 922003592 /nfs/dbraw/zinc/00/35/92/922003592.db2.gz NZOUYIJGEXYWCK-CQSZACIVSA-N -1 1 416.462 4.020 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc4c(C)nn(C)c4nc3C)n2)cc1 ZINC000518516499 927320947 /nfs/dbraw/zinc/32/09/47/927320947.db2.gz HGCOCPRTDZKCSF-SFHVURJKSA-N -1 1 417.494 4.207 20 30 HIEDMM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000521801050 929461648 /nfs/dbraw/zinc/46/16/48/929461648.db2.gz WGCMQMJDXPTSOW-OAHLLOKOSA-N -1 1 415.540 4.008 20 30 HIEDMM COc1ccccc1-c1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000524628161 929735995 /nfs/dbraw/zinc/73/59/95/929735995.db2.gz PDBTUZXGKSNTKN-AWEZNQCLSA-N -1 1 421.407 4.331 20 30 HIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000524851060 929857876 /nfs/dbraw/zinc/85/78/76/929857876.db2.gz LWUPTTHFCUJFJP-UHFFFAOYSA-N -1 1 411.527 4.072 20 30 HIEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 ZINC000533653438 931948325 /nfs/dbraw/zinc/94/83/25/931948325.db2.gz LALZRMDQOLQXFV-UHFFFAOYSA-N -1 1 415.449 4.248 20 30 HIEDMM COCc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000539237759 938823392 /nfs/dbraw/zinc/82/33/92/938823392.db2.gz DSCGCJIXYFRZKK-UHFFFAOYSA-N -1 1 408.479 4.084 20 30 HIEDMM Cc1nn(C(C)(C)C)cc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000542286146 939784866 /nfs/dbraw/zinc/78/48/66/939784866.db2.gz IDVFRZPZWKRSCX-CYBMUJFWSA-N -1 1 409.515 4.026 20 30 HIEDMM CCN(C(=O)c1ccc(I)c([O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000544851830 940519354 /nfs/dbraw/zinc/51/93/54/940519354.db2.gz BOURFMBKNLUTBW-GFCCVEGCSA-N -1 1 420.250 4.092 20 30 HIEDMM Cc1ccc2oc(C(=O)[C@@H](C#N)c3nc(=O)c4c5c(sc4[n-]3)CCCC5)cc2n1 ZINC000551028807 941397635 /nfs/dbraw/zinc/39/76/35/941397635.db2.gz IYUDFRJDIUECHM-GFCCVEGCSA-N -1 1 404.451 4.215 20 30 HIEDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1 ZINC000552963936 941809651 /nfs/dbraw/zinc/80/96/51/941809651.db2.gz CUNKCQBZQDGPTA-ZDUSSCGKSA-N -1 1 402.545 4.117 20 30 HIEDMM C[C@@H]1CN(Cc2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)C[C@H](C)O1 ZINC000553987486 942013846 /nfs/dbraw/zinc/01/38/46/942013846.db2.gz PRPIQPAHSVYNTG-JTDSTZFVSA-N -1 1 405.523 4.396 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)ccc1C(F)(F)F ZINC000558599144 943613116 /nfs/dbraw/zinc/61/31/16/943613116.db2.gz KMXLDNXGBDGHIM-UHFFFAOYSA-N -1 1 403.385 4.440 20 30 HIEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2CC#N)cc1 ZINC000565319114 945809330 /nfs/dbraw/zinc/80/93/30/945809330.db2.gz YJIPTQVJBDRXST-UHFFFAOYSA-N -1 1 405.479 4.114 20 30 HIEDMM N#Cc1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])nc2ccccc12 ZINC000571002613 947423555 /nfs/dbraw/zinc/42/35/55/947423555.db2.gz HDUIKKASGDNPID-UHFFFAOYSA-N -1 1 403.217 4.091 20 30 HIEDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000572450488 947911533 /nfs/dbraw/zinc/91/15/33/947911533.db2.gz GAKWPCNAFKDILJ-UHFFFAOYSA-N -1 1 424.438 4.071 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1cccc(C#N)c1 ZINC000008115087 845477346 /nfs/dbraw/zinc/47/73/46/845477346.db2.gz LSZMKCFPAJRELY-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM COc1c(O)cccc1/C=C/C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000011292771 845776894 /nfs/dbraw/zinc/77/68/94/845776894.db2.gz SSXIMGVIVPSAQX-XNTDXEJSSA-N -1 1 423.490 4.406 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)n2)n[n-]c1=S ZINC000025682106 847018880 /nfs/dbraw/zinc/01/88/80/847018880.db2.gz OXAAIFHICOGLEK-ZFWWWQNUSA-N -1 1 403.577 4.351 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)c3ccc4c(c3)CCCC4)n2)n[n-]c1=S ZINC000025682004 847019454 /nfs/dbraw/zinc/01/94/54/847019454.db2.gz PBMXMKFCDQCYJV-UHFFFAOYSA-N -1 1 411.556 4.305 20 30 HIEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436546154 861844405 /nfs/dbraw/zinc/84/44/05/861844405.db2.gz TZQMRDHAIYCDSY-MCMMXHMISA-N -1 1 413.424 4.125 20 30 HIEDMM CC(C)[C@H](C#N)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436554654 861848940 /nfs/dbraw/zinc/84/89/40/861848940.db2.gz GWTNWJNIWXWBNA-INIZCTEOSA-N -1 1 406.269 4.229 20 30 HIEDMM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548689 848229879 /nfs/dbraw/zinc/22/98/79/848229879.db2.gz ZZZQLGQLXXIINR-LLVKDONJSA-N -1 1 417.368 4.136 20 30 HIEDMM N#C[C@H](C(=O)C=Cc1ccc(Cl)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362374 849032723 /nfs/dbraw/zinc/03/27/23/849032723.db2.gz CURCWNKKLLPGRM-JOZWUWCOSA-N -1 1 409.898 4.406 20 30 HIEDMM C=CCOc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000048817832 849271877 /nfs/dbraw/zinc/27/18/77/849271877.db2.gz DNWLZFISKBODEJ-INIZCTEOSA-N -1 1 405.479 4.331 20 30 HIEDMM CCCc1nc(C)c(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000048818024 849271933 /nfs/dbraw/zinc/27/19/33/849271933.db2.gz JECVZTFUSLPIEA-GFCCVEGCSA-N -1 1 412.540 4.071 20 30 HIEDMM N#CCc1ccc(OCc2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)cc1 ZINC000055629988 850083312 /nfs/dbraw/zinc/08/33/12/850083312.db2.gz JNMTXSNAZYPVQI-UHFFFAOYSA-N -1 1 403.463 4.004 20 30 HIEDMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CCC#N)ccc2C)cc1 ZINC000060617399 851168334 /nfs/dbraw/zinc/16/83/34/851168334.db2.gz VMGKGBDMUDTYCS-UHFFFAOYSA-N -1 1 413.543 4.124 20 30 HIEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)cc1 ZINC000064475359 851906931 /nfs/dbraw/zinc/90/69/31/851906931.db2.gz VZIGBDHBHIXJDY-UHFFFAOYSA-N -1 1 410.520 4.297 20 30 HIEDMM N#Cc1ccccc1/C=C/C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000108412976 852847779 /nfs/dbraw/zinc/84/77/79/852847779.db2.gz PIINITQDXZHFRD-NTEUORMPSA-N -1 1 421.453 4.150 20 30 HIEDMM C=CCCO[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000109251279 852941995 /nfs/dbraw/zinc/94/19/95/852941995.db2.gz JOIPIVHOXYBIOV-AWEZNQCLSA-N -1 1 408.907 4.061 20 30 HIEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2Cl)s1 ZINC000140358679 853442288 /nfs/dbraw/zinc/44/22/88/853442288.db2.gz LSLLJALUOLRVTK-ZDUSSCGKSA-N -1 1 411.870 4.433 20 30 HIEDMM CC(C)(CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1 ZINC000195720717 853777679 /nfs/dbraw/zinc/77/76/79/853777679.db2.gz VUAHOZFUYGTWTM-MRXNPFEDSA-N -1 1 405.523 4.408 20 30 HIEDMM C=CCOc1ccccc1CNC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000303508017 854996190 /nfs/dbraw/zinc/99/61/90/854996190.db2.gz WJKGVCVMPQVYOK-UHFFFAOYSA-N -1 1 414.918 4.142 20 30 HIEDMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)cc1 ZINC000437401185 862747817 /nfs/dbraw/zinc/74/78/17/862747817.db2.gz VOKKCMUXGGRMBP-UHFFFAOYSA-N -1 1 404.491 4.121 20 30 HIEDMM C=CCOc1ccc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1Cl ZINC000426733414 856442102 /nfs/dbraw/zinc/44/21/02/856442102.db2.gz MPQISBPDWKAGOW-HXUWFJFHSA-N -1 1 411.889 4.396 20 30 HIEDMM COc1ccccc1[C@H](NCc1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000426786206 856476502 /nfs/dbraw/zinc/47/65/02/856476502.db2.gz UHFNAAFHCUPMKS-QHCPKHFHSA-N -1 1 402.450 4.061 20 30 HIEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cccc1NC(=O)c1ccccc1 ZINC000427097796 856634934 /nfs/dbraw/zinc/63/49/34/856634934.db2.gz WUJJCUVGNJVIFC-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM C=C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000428045590 857053250 /nfs/dbraw/zinc/05/32/50/857053250.db2.gz QXZVQJGZCBCZSE-IBGZPJMESA-N -1 1 414.527 4.067 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1Br ZINC000432767805 859347710 /nfs/dbraw/zinc/34/77/10/859347710.db2.gz JEEMIXURNRDAPJ-UHFFFAOYSA-N -1 1 419.222 4.226 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1Br ZINC000432772987 859352635 /nfs/dbraw/zinc/35/26/35/859352635.db2.gz YUGNKHNWVJQTFA-UHFFFAOYSA-N -1 1 418.272 4.140 20 30 HIEDMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 ZINC000433490431 859730176 /nfs/dbraw/zinc/73/01/76/859730176.db2.gz WSDMIEJUYNGUOM-UHFFFAOYSA-N -1 1 405.479 4.174 20 30 HIEDMM Cc1oc(C#N)cc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000435382977 860778875 /nfs/dbraw/zinc/77/88/75/860778875.db2.gz GBFXEIAJNOZREO-UHFFFAOYSA-N -1 1 415.858 4.166 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCCC3)cc2)ccc1C#N ZINC000435717571 861002242 /nfs/dbraw/zinc/00/22/42/861002242.db2.gz OVLUSNASEXHYOI-UHFFFAOYSA-N -1 1 411.527 4.072 20 30 HIEDMM CCCCn1ncc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1C ZINC000435750968 861031179 /nfs/dbraw/zinc/03/11/79/861031179.db2.gz PCRPPFTWTXFRFJ-CQSZACIVSA-N -1 1 409.515 4.071 20 30 HIEDMM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2s1 ZINC000435755421 861034009 /nfs/dbraw/zinc/03/40/09/861034009.db2.gz JJAVGSCUXGWHIH-UHFFFAOYSA-N -1 1 414.512 4.016 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)ccc1C#N ZINC000435758171 861037273 /nfs/dbraw/zinc/03/72/73/861037273.db2.gz FDUHDKWUMJGVPO-UHFFFAOYSA-N -1 1 406.467 4.312 20 30 HIEDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(C(F)(F)F)c3)cc(Cl)c2O1 ZINC000438773577 864267993 /nfs/dbraw/zinc/26/79/93/864267993.db2.gz CFKOGVANBDGDCD-VIFPVBQESA-N -1 1 416.808 4.355 20 30 HIEDMM COc1cc(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc(Cl)c1[O-] ZINC000442971758 867771202 /nfs/dbraw/zinc/77/12/02/867771202.db2.gz CIQPIRGYZRHYCQ-UHFFFAOYSA-N -1 1 400.862 4.046 20 30 HIEDMM Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(C#N)c([O-])c3)c(C(F)(F)F)c2)n1 ZINC000443342565 867915107 /nfs/dbraw/zinc/91/51/07/867915107.db2.gz KNOZDIPLRBCLAJ-UHFFFAOYSA-N -1 1 414.387 4.015 20 30 HIEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c1 ZINC000443366124 867930621 /nfs/dbraw/zinc/93/06/21/867930621.db2.gz TWEPFEBVOORSMD-UHFFFAOYSA-N -1 1 420.313 4.245 20 30 HIEDMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)cc21 ZINC000443407025 867986747 /nfs/dbraw/zinc/98/67/47/867986747.db2.gz OOOJDBVXDRQVJU-UHFFFAOYSA-N -1 1 408.405 4.308 20 30 HIEDMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468353085 882290312 /nfs/dbraw/zinc/29/03/12/882290312.db2.gz ONZJRGIRWUAKJI-UHFFFAOYSA-N -1 1 417.918 4.032 20 30 HIEDMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC000460823195 873706037 /nfs/dbraw/zinc/70/60/37/873706037.db2.gz KHKSGMMFOIFALK-UHFFFAOYSA-N -1 1 421.478 4.134 20 30 HIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000462101140 875210384 /nfs/dbraw/zinc/21/03/84/875210384.db2.gz KGVRCVJPJLPJIQ-UHFFFAOYSA-N -1 1 415.849 4.436 20 30 HIEDMM C=CCOCCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000463234854 876289354 /nfs/dbraw/zinc/28/93/54/876289354.db2.gz AWBXHYUSCYUTRN-UHFFFAOYSA-N -1 1 408.907 4.062 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000475785545 890726722 /nfs/dbraw/zinc/72/67/22/890726722.db2.gz FJULILVMQSJYBW-UHFFFAOYSA-N -1 1 403.463 4.285 20 30 HIEDMM Cn1c2ccccc2nc1-c1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475788305 890728571 /nfs/dbraw/zinc/72/85/71/890728571.db2.gz MKOOFGYDRAEHAC-UHFFFAOYSA-N -1 1 402.479 4.107 20 30 HIEDMM C=C(C)[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(F)c(F)c1 ZINC000478918134 894199738 /nfs/dbraw/zinc/19/97/38/894199738.db2.gz AKLKHBZWRMWCCJ-OAQYLSRUSA-N -1 1 424.451 4.197 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CCC#N)CCC(C)C)cc2)cc1 ZINC000505193563 913874237 /nfs/dbraw/zinc/87/42/37/913874237.db2.gz NITCZELKQOZVCE-UHFFFAOYSA-N -1 1 413.543 4.198 20 30 HIEDMM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1ccc(Br)cc1 ZINC000479318409 894606880 /nfs/dbraw/zinc/60/68/80/894606880.db2.gz ZKNDEHDDNSMIDT-UHFFFAOYSA-N -1 1 413.296 4.045 20 30 HIEDMM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2cc(Br)ccc2n1 ZINC000505417513 914081707 /nfs/dbraw/zinc/08/17/07/914081707.db2.gz YTIFXDLGWNDTHF-INIZCTEOSA-N -1 1 424.302 4.114 20 30 HIEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCCC#N)c2)cc1 ZINC000505492793 914177562 /nfs/dbraw/zinc/17/75/62/914177562.db2.gz DQVZCDSONXTXBV-UHFFFAOYSA-N -1 1 413.543 4.254 20 30 HIEDMM CCCN(CCC)C(=O)c1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000483208921 898859479 /nfs/dbraw/zinc/85/94/79/898859479.db2.gz BAPLLVBVWIDEKM-LJQANCHMSA-N -1 1 400.482 4.382 20 30 HIEDMM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1nc(C(F)(F)F)cs1 ZINC000486866105 901910877 /nfs/dbraw/zinc/91/08/77/901910877.db2.gz LZDUZQWMEMGZBI-ZCFIWIBFSA-N -1 1 422.347 4.359 20 30 HIEDMM C=CCN(CCc1ccco1)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000496687558 906734563 /nfs/dbraw/zinc/73/45/63/906734563.db2.gz DNGLFJBSUQTVRA-UHFFFAOYSA-N -1 1 424.522 4.260 20 30 HIEDMM C=CCC(C)(C)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000497107704 906807017 /nfs/dbraw/zinc/80/70/17/906807017.db2.gz KZVZRYGPNDTSMO-UHFFFAOYSA-N -1 1 408.907 4.387 20 30 HIEDMM N#CCCN(Cc1ccco1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000498223307 907753122 /nfs/dbraw/zinc/75/31/22/907753122.db2.gz HYSFMGCSSXNFKX-UHFFFAOYSA-N -1 1 424.482 4.028 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Sc2nncs2)c(Cl)c1 ZINC000513390457 921761890 /nfs/dbraw/zinc/76/18/90/921761890.db2.gz PTEBYDNZVQYQFV-UHFFFAOYSA-N -1 1 422.944 4.324 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(OCc2cccc(C#N)c2)c1 ZINC000513402538 921770892 /nfs/dbraw/zinc/77/08/92/921770892.db2.gz MJLLIMHTJLOBTI-UHFFFAOYSA-N -1 1 403.463 4.118 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1Br ZINC000508113826 916930959 /nfs/dbraw/zinc/93/09/59/916930959.db2.gz WPZBKDRSSUQAOD-UHFFFAOYSA-N -1 1 419.222 4.226 20 30 HIEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)cc1 ZINC000509102939 917842812 /nfs/dbraw/zinc/84/28/12/917842812.db2.gz LGNLKAXXFKLILK-UHFFFAOYSA-N -1 1 413.421 4.122 20 30 HIEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000509376474 918043130 /nfs/dbraw/zinc/04/31/30/918043130.db2.gz ADYDHNBLXDAZNS-UHFFFAOYSA-N -1 1 402.422 4.351 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)c(Br)cc2C)n1 ZINC000509854808 918458215 /nfs/dbraw/zinc/45/82/15/918458215.db2.gz PRVCTEVLLKEUOS-GFCCVEGCSA-N -1 1 407.289 4.189 20 30 HIEDMM CCN(CC#N)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC000521013717 928930108 /nfs/dbraw/zinc/93/01/08/928930108.db2.gz ZGIIONHRQNYJNE-UHFFFAOYSA-N -1 1 413.543 4.079 20 30 HIEDMM CC(C)Cc1nc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cs1 ZINC000521178181 929045529 /nfs/dbraw/zinc/04/55/29/929045529.db2.gz NEPSLHWHQMJFNH-LBPRGKRZSA-N -1 1 412.540 4.421 20 30 HIEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000521576963 929307931 /nfs/dbraw/zinc/30/79/31/929307931.db2.gz QAFGGCGSDUEDTM-UHFFFAOYSA-N -1 1 421.478 4.364 20 30 HIEDMM C=C(C)[C@@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)OCC ZINC000533702447 931978941 /nfs/dbraw/zinc/97/89/41/931978941.db2.gz VRQKVQPLCYGSHG-HXUWFJFHSA-N -1 1 416.543 4.414 20 30 HIEDMM O=C(Cn1ccc(C(F)(F)F)n1)[N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000538346740 938599528 /nfs/dbraw/zinc/59/95/28/938599528.db2.gz IKVVUUOYWBUKMW-LBPRGKRZSA-N -1 1 419.247 4.341 20 30 HIEDMM C=CCCC[C@@H](C)NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000540566345 939306870 /nfs/dbraw/zinc/30/68/70/939306870.db2.gz HQWWVTOUFQYRHX-QGZVFWFLSA-N -1 1 401.532 4.031 20 30 HIEDMM C=CCCC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000540621732 939322340 /nfs/dbraw/zinc/32/23/40/939322340.db2.gz LVPBGCYFHNYSGY-AWEZNQCLSA-N -1 1 408.470 4.240 20 30 HIEDMM O=C(Cc1cc[nH]n1)[N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000541244497 939487322 /nfs/dbraw/zinc/48/73/22/939487322.db2.gz QRRDAIGBVNYLLE-LBPRGKRZSA-N -1 1 419.247 4.410 20 30 HIEDMM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000541306663 939490436 /nfs/dbraw/zinc/49/04/36/939490436.db2.gz MXMVSKZKJXUGGX-UHFFFAOYSA-N -1 1 414.874 4.248 20 30 HIEDMM CC(C)CCN(CCC#N)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546223554 940734476 /nfs/dbraw/zinc/73/44/76/940734476.db2.gz YSHQYWJWWIGEIJ-UHFFFAOYSA-N -1 1 414.531 4.281 20 30 HIEDMM CCOc1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc(Cl)c1[O-] ZINC000546549173 940849857 /nfs/dbraw/zinc/84/98/57/940849857.db2.gz CMIHMCNGOPCXKJ-AWEZNQCLSA-N -1 1 409.667 4.201 20 30 HIEDMM N#CC(=C([O-])c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1ccncn1 ZINC000546860222 940896788 /nfs/dbraw/zinc/89/67/88/940896788.db2.gz JFNYAKWCUTZMRC-LJQANCHMSA-N -1 1 420.432 4.020 20 30 HIEDMM N#Cc1ccc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1[O-] ZINC000552762354 941755355 /nfs/dbraw/zinc/75/53/55/941755355.db2.gz BFFYJKXTPPIFHW-LJQANCHMSA-N -1 1 404.388 4.180 20 30 HIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C(C)C)sc3c2)c1 ZINC000553355095 941872340 /nfs/dbraw/zinc/87/23/40/941872340.db2.gz WRJBOOKEFHGSRT-UHFFFAOYSA-N -1 1 415.540 4.136 20 30 HIEDMM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)cc2)ccn1 ZINC000555126924 942393581 /nfs/dbraw/zinc/39/35/81/942393581.db2.gz HDNZLNDAXNDIQV-UHFFFAOYSA-N -1 1 403.822 4.339 20 30 HIEDMM CCNc1ccc(C#N)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000560587996 944265359 /nfs/dbraw/zinc/26/53/59/944265359.db2.gz HBXNSXYKRPXVPL-UHFFFAOYSA-N -1 1 420.494 4.043 20 30 HIEDMM C[C@](C#N)(NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CCCCC1 ZINC000571034460 947449725 /nfs/dbraw/zinc/44/97/25/947449725.db2.gz VPVRXZVWZLKNDJ-JOCHJYFZSA-N -1 1 411.527 4.080 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)o1 ZINC000574661230 948498025 /nfs/dbraw/zinc/49/80/25/948498025.db2.gz LMMUMKVQSVOWIP-HNNXBMFYSA-N -1 1 404.797 4.253 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(N=NC3CCCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000006316998 845190374 /nfs/dbraw/zinc/19/03/74/845190374.db2.gz OJAZSPRINPQTLJ-UHFFFAOYSA-N -1 1 402.476 4.354 20 30 HIEDMM C=CCn1c(=O)c2c(nc1SCC(=O)c1ccc([O-])cc1)sc1c2CCCC1 ZINC000007119722 845257098 /nfs/dbraw/zinc/25/70/98/845257098.db2.gz UBYPZBFUEPNTAP-UHFFFAOYSA-N -1 1 412.536 4.203 20 30 HIEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436253857 861564023 /nfs/dbraw/zinc/56/40/23/861564023.db2.gz ORPVNSDFRVEHIW-GFCCVEGCSA-N -1 1 400.529 4.042 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)c1C ZINC000008125960 845479570 /nfs/dbraw/zinc/47/95/70/845479570.db2.gz OHIFBBDYTBCIJD-UHFFFAOYSA-N -1 1 419.506 4.423 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(CC#N)cc3)c2)cc1F ZINC000015029385 846001969 /nfs/dbraw/zinc/00/19/69/846001969.db2.gz JJODMAKMMLLMOA-UHFFFAOYSA-N -1 1 423.469 4.253 20 30 HIEDMM C#Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000023388669 846693553 /nfs/dbraw/zinc/69/35/53/846693553.db2.gz BDWZXELJYJWOAD-UHFFFAOYSA-N -1 1 408.454 4.169 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)c3cc(C)nc4ccccc43)n2)n[n-]c1=S ZINC000030688730 847759346 /nfs/dbraw/zinc/75/93/46/847759346.db2.gz NSCBYMLTAMFAQZ-UHFFFAOYSA-N -1 1 422.539 4.283 20 30 HIEDMM CC(C)CCN(CCC#N)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436569127 861855385 /nfs/dbraw/zinc/85/53/85/861855385.db2.gz ADLPMQKRKSZHMR-UHFFFAOYSA-N -1 1 415.440 4.325 20 30 HIEDMM N#CC1([N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CCCCC1 ZINC000040215474 848197933 /nfs/dbraw/zinc/19/79/33/848197933.db2.gz LKQHTUNVZWYQHZ-UHFFFAOYSA-N -1 1 412.136 4.261 20 30 HIEDMM N#CC(=C([O-])c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1nc(-c2ccccc2)cs1 ZINC000041522337 848225631 /nfs/dbraw/zinc/22/56/31/848225631.db2.gz CSQQWAOBJFDVPS-QUCCMNQESA-N -1 1 417.490 4.418 20 30 HIEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3F)s2)cc1 ZINC000054897016 849938186 /nfs/dbraw/zinc/93/81/86/849938186.db2.gz JYEMDDJQEMIGMS-UHFFFAOYSA-N -1 1 415.431 4.002 20 30 HIEDMM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000055648347 850093756 /nfs/dbraw/zinc/09/37/56/850093756.db2.gz MXKRIWKMLBSZLW-CQSZACIVSA-N -1 1 417.918 4.027 20 30 HIEDMM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000055664271 850104438 /nfs/dbraw/zinc/10/44/38/850104438.db2.gz IEDDTYNSUFNGHV-UHFFFAOYSA-N -1 1 403.463 4.004 20 30 HIEDMM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000437005660 862180146 /nfs/dbraw/zinc/18/01/46/862180146.db2.gz YSUIJAPFBLUBSR-KRWDZBQOSA-N -1 1 423.822 4.087 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C#N)ccc3C)cc2)cc1 ZINC000064070249 851824407 /nfs/dbraw/zinc/82/44/07/851824407.db2.gz SSTJSVDRGNYOGI-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM C#Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc2)c1 ZINC000105573381 852715163 /nfs/dbraw/zinc/71/51/63/852715163.db2.gz TXUMMPONXYGLJY-UHFFFAOYSA-N -1 1 420.490 4.120 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3cn(C)c4ccccc34)nc2C)n[n-]c1=S ZINC000195688400 853758762 /nfs/dbraw/zinc/75/87/62/853758762.db2.gz XYQFHMHWTDXDDV-UHFFFAOYSA-N -1 1 410.528 4.303 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000303609144 855075548 /nfs/dbraw/zinc/07/55/48/855075548.db2.gz WGBIFXSSNRYTSI-UHFFFAOYSA-N -1 1 412.515 4.075 20 30 HIEDMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c2C1 ZINC000410328057 855931108 /nfs/dbraw/zinc/93/11/08/855931108.db2.gz AZPSJGNNISBRNN-UHFFFAOYSA-N -1 1 409.433 4.103 20 30 HIEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427102914 856637248 /nfs/dbraw/zinc/63/72/48/856637248.db2.gz WBJTXVRRXLPWJR-UHFFFAOYSA-N -1 1 407.426 4.471 20 30 HIEDMM C=C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000428046141 857053964 /nfs/dbraw/zinc/05/39/64/857053964.db2.gz TVLJXVKSBOEWOD-SFHVURJKSA-N -1 1 402.491 4.116 20 30 HIEDMM C=C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000428047404 857054709 /nfs/dbraw/zinc/05/47/09/857054709.db2.gz XXDJCRHOAKNGHK-LJQANCHMSA-N -1 1 414.527 4.067 20 30 HIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(Cl)c(N3CCNC3=O)c2)s1 ZINC000430597366 858232759 /nfs/dbraw/zinc/23/27/59/858232759.db2.gz LKMTXVLCLDNXDF-LBPRGKRZSA-N -1 1 402.907 4.114 20 30 HIEDMM CCC(CC)n1nccc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000431255638 858534245 /nfs/dbraw/zinc/53/42/45/858534245.db2.gz CDFZPMSJRKIXJI-AWEZNQCLSA-N -1 1 409.515 4.323 20 30 HIEDMM N#Cc1cscc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000432066425 858963160 /nfs/dbraw/zinc/96/31/60/858963160.db2.gz ZUXGLNQDXDGNCB-UHFFFAOYSA-N -1 1 417.899 4.326 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1Br ZINC000432779136 859356002 /nfs/dbraw/zinc/35/60/02/859356002.db2.gz JKJXPSQOGNCQSG-UHFFFAOYSA-N -1 1 419.222 4.226 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1C(F)(F)F ZINC000435151784 860667021 /nfs/dbraw/zinc/66/70/21/860667021.db2.gz LWBJOTUPSSKFQO-UHFFFAOYSA-N -1 1 407.373 4.396 20 30 HIEDMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)c2)n1 ZINC000435157621 860669921 /nfs/dbraw/zinc/66/99/21/860669921.db2.gz DCEXXTAIUOABGO-UHFFFAOYSA-N -1 1 420.416 4.180 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1C(F)(F)F ZINC000435173827 860677655 /nfs/dbraw/zinc/67/76/55/860677655.db2.gz OPNOWBHONVMGAV-UHFFFAOYSA-N -1 1 408.323 4.483 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cc(NC(=O)c3ccccc3)ccc2C)ccc1C#N ZINC000435749142 861029418 /nfs/dbraw/zinc/02/94/18/861029418.db2.gz ROCOIJGHTXVKJG-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM CCCCn1ncc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1C ZINC000435750967 861030846 /nfs/dbraw/zinc/03/08/46/861030846.db2.gz PCRPPFTWTXFRFJ-AWEZNQCLSA-N -1 1 409.515 4.071 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2COc2ccc(CC#N)cc2)ccc1C#N ZINC000435758160 861038536 /nfs/dbraw/zinc/03/85/36/861038536.db2.gz FAOJHXFYANUBLO-UHFFFAOYSA-N -1 1 417.490 4.313 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1C(F)(F)F ZINC000438766179 864261125 /nfs/dbraw/zinc/26/11/25/864261125.db2.gz QVLLHHMMMOAKMF-UHFFFAOYSA-N -1 1 410.295 4.276 20 30 HIEDMM Cc1cc(-n2cncn2)ccc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000442799319 867679159 /nfs/dbraw/zinc/67/91/59/867679159.db2.gz KKJUWAUSHYLUNO-HNNXBMFYSA-N -1 1 421.432 4.468 20 30 HIEDMM C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442958236 867764070 /nfs/dbraw/zinc/76/40/70/867764070.db2.gz BFOLXNRDSSGGQO-DYZYQPBXSA-N -1 1 403.301 4.239 20 30 HIEDMM Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C(F)(F)F ZINC000443058460 867805000 /nfs/dbraw/zinc/80/50/00/867805000.db2.gz NGPWVDANXWZMEH-LJQANCHMSA-N -1 1 414.387 4.100 20 30 HIEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000443309303 867898022 /nfs/dbraw/zinc/89/80/22/867898022.db2.gz LXQBDIQZPXBABU-AWEZNQCLSA-N -1 1 403.413 4.146 20 30 HIEDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nc(C(F)(F)F)cs1 ZINC000443318448 867903210 /nfs/dbraw/zinc/90/32/10/867903210.db2.gz JWYYOBNRADFVOB-SNVBAGLBSA-N -1 1 409.842 4.117 20 30 HIEDMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c2)n1 ZINC000443407533 867986936 /nfs/dbraw/zinc/98/69/36/867986936.db2.gz DSEZOHWXFNAVNA-UHFFFAOYSA-N -1 1 418.400 4.143 20 30 HIEDMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)cc2)o1 ZINC000443407682 867989824 /nfs/dbraw/zinc/98/98/24/867989824.db2.gz QLRCUSXAADBXGU-UHFFFAOYSA-N -1 1 407.373 4.341 20 30 HIEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)[nH]n1 ZINC000444423876 868823274 /nfs/dbraw/zinc/82/32/74/868823274.db2.gz UCHKSMONFWQFIV-UHFFFAOYSA-N -1 1 406.389 4.076 20 30 HIEDMM N#Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000447009878 870889953 /nfs/dbraw/zinc/88/99/53/870889953.db2.gz DAKHTKORYMZDHB-UHFFFAOYSA-N -1 1 405.195 4.140 20 30 HIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447778265 871707469 /nfs/dbraw/zinc/70/74/69/871707469.db2.gz OVPGUETVGWGJOA-UHFFFAOYSA-N -1 1 402.369 4.328 20 30 HIEDMM Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000462253487 875375835 /nfs/dbraw/zinc/37/58/35/875375835.db2.gz FNOMVQFZZZCGQD-KRWDZBQOSA-N -1 1 419.506 4.410 20 30 HIEDMM C=C(C)C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000466630157 880403474 /nfs/dbraw/zinc/40/34/74/880403474.db2.gz WMHCVMKDDDMXEO-HNNXBMFYSA-N -1 1 418.515 4.045 20 30 HIEDMM Cc1csc(Oc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2F)n1 ZINC000470268464 884619082 /nfs/dbraw/zinc/61/90/82/884619082.db2.gz YJIXFVVBNQIFOV-UHFFFAOYSA-N -1 1 403.460 4.364 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000475807229 890741090 /nfs/dbraw/zinc/74/10/90/890741090.db2.gz JFSFJCIRQZGHPU-UHFFFAOYSA-N -1 1 408.435 4.044 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000475813511 890748917 /nfs/dbraw/zinc/74/89/17/890748917.db2.gz KSVZTHIGDYJUGB-UHFFFAOYSA-N -1 1 414.433 4.411 20 30 HIEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1 ZINC000476286553 891204664 /nfs/dbraw/zinc/20/46/64/891204664.db2.gz UZEDCFCYHJUHIE-UHFFFAOYSA-N -1 1 413.421 4.122 20 30 HIEDMM CC(C)CCN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000505165425 913855045 /nfs/dbraw/zinc/85/50/45/913855045.db2.gz XROXUDCTRHZZOO-UHFFFAOYSA-N -1 1 417.506 4.028 20 30 HIEDMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000479472251 894793816 /nfs/dbraw/zinc/79/38/16/894793816.db2.gz WRYPYOGRQDTCGL-LLVKDONJSA-N -1 1 424.931 4.399 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1C(F)(F)F ZINC000480159525 895547184 /nfs/dbraw/zinc/54/71/84/895547184.db2.gz JWLRCZKZGYSFEH-UHFFFAOYSA-N -1 1 419.306 4.268 20 30 HIEDMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(C(F)(F)F)c3)cc2)co1 ZINC000480232293 895638460 /nfs/dbraw/zinc/63/84/60/895638460.db2.gz FRAMSVBAWZPTCE-UHFFFAOYSA-N -1 1 407.373 4.341 20 30 HIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccc1Cl ZINC000482589005 898188231 /nfs/dbraw/zinc/18/82/31/898188231.db2.gz ZOARMZKOMLJQCR-CQSZACIVSA-N -1 1 403.873 4.465 20 30 HIEDMM N#CC(=C([O-])c1cccc(N2CCCNC2=O)c1)c1nc2cc(Cl)ccc2s1 ZINC000484564495 900036171 /nfs/dbraw/zinc/03/61/71/900036171.db2.gz ALGXSKUMRLHCTC-HNNXBMFYSA-N -1 1 410.886 4.359 20 30 HIEDMM C[C@]([N-]C(=O)CCOCC(F)(F)C(F)(F)F)(c1ccc(F)cc1)C(F)(F)F ZINC000485642765 900893874 /nfs/dbraw/zinc/89/38/74/900893874.db2.gz KXVCUANAWBFGIP-LBPRGKRZSA-N -1 1 411.264 4.324 20 30 HIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)n1 ZINC000486806623 901865679 /nfs/dbraw/zinc/86/56/79/901865679.db2.gz ADIHBGQPUDKVHM-INIZCTEOSA-N -1 1 417.494 4.411 20 30 HIEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1ccc(F)cc1C#N ZINC000488420947 902819498 /nfs/dbraw/zinc/81/94/98/902819498.db2.gz PNEKLJXIBKNKPJ-UHFFFAOYSA-N -1 1 409.486 4.130 20 30 HIEDMM CCc1ccc([C@@H](C#N)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000489951378 903693921 /nfs/dbraw/zinc/69/39/21/903693921.db2.gz XGLROWYSHYCWDT-JOCHJYFZSA-N -1 1 419.506 4.044 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(COCCOc2ccccc2)c1 ZINC000513359612 921735700 /nfs/dbraw/zinc/73/57/00/921735700.db2.gz WQPVFYHXTPYHFO-UHFFFAOYSA-N -1 1 422.506 4.263 20 30 HIEDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1NC(=O)c1ccco1 ZINC000511674594 920339257 /nfs/dbraw/zinc/33/92/57/920339257.db2.gz LKEQTWPNFKNJRX-UHFFFAOYSA-N -1 1 415.858 4.166 20 30 HIEDMM N#C[C@H](C(=O)c1coc(Br)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000513661561 921985011 /nfs/dbraw/zinc/98/50/11/921985011.db2.gz SZEBPNGTODBPJH-SNVBAGLBSA-N -1 1 418.272 4.121 20 30 HIEDMM Cc1c(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)oc2c1C(=O)CCC2 ZINC000515053990 922891079 /nfs/dbraw/zinc/89/10/79/922891079.db2.gz GRMZNQIHIVVJHT-UHFFFAOYSA-N -1 1 424.507 4.375 20 30 HIEDMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000515621488 923222236 /nfs/dbraw/zinc/22/22/36/923222236.db2.gz LMEXAPSAGLTIJK-UHFFFAOYSA-N -1 1 422.506 4.127 20 30 HIEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C[C@@H](C)C#N)c2)cc1 ZINC000516845039 923917597 /nfs/dbraw/zinc/91/75/97/923917597.db2.gz XOLYNBTZRXFHKY-KRWDZBQOSA-N -1 1 413.543 4.062 20 30 HIEDMM C=CCCO[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000520019130 928243569 /nfs/dbraw/zinc/24/35/69/928243569.db2.gz PWTIDCDOYGAANS-HNNXBMFYSA-N -1 1 422.934 4.369 20 30 HIEDMM O=C([N-]c1cc(F)c(F)cc1F)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000521535823 929280998 /nfs/dbraw/zinc/28/09/98/929280998.db2.gz LPGUTQCLVPDRFV-UHFFFAOYSA-N -1 1 404.245 4.095 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F ZINC000525238526 930099894 /nfs/dbraw/zinc/09/98/94/930099894.db2.gz AVBRHDRYEQJMRR-UHFFFAOYSA-N -1 1 410.295 4.276 20 30 HIEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000531321383 931017101 /nfs/dbraw/zinc/01/71/01/931017101.db2.gz KWIYIRKKAFNTMH-UHFFFAOYSA-N -1 1 416.396 4.085 20 30 HIEDMM O=C([N-]c1cc(F)cc(F)c1F)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000562877654 945136992 /nfs/dbraw/zinc/13/69/92/945136992.db2.gz XSEYITFDEKRATG-UHFFFAOYSA-N -1 1 404.245 4.095 20 30 HIEDMM C=CCCC[C@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000538334751 938595888 /nfs/dbraw/zinc/59/58/88/938595888.db2.gz VSUBHGPEASVGOW-INIZCTEOSA-N -1 1 404.507 4.030 20 30 HIEDMM C=CCCC[C@H](C)NC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000540563601 939306191 /nfs/dbraw/zinc/30/61/91/939306191.db2.gz LWTMOZUAQOMERC-INIZCTEOSA-N -1 1 419.522 4.171 20 30 HIEDMM O=C(Cc1cc[nH]n1)[N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000541244496 939487355 /nfs/dbraw/zinc/48/73/55/939487355.db2.gz QRRDAIGBVNYLLE-GFCCVEGCSA-N -1 1 419.247 4.410 20 30 HIEDMM O=C([N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCOC1 ZINC000542155336 939734415 /nfs/dbraw/zinc/73/44/15/939734415.db2.gz ZLJLPHIDJWVKKA-WRWORJQWSA-N -1 1 409.248 4.480 20 30 HIEDMM CCCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccc(F)cc1 ZINC000542950086 939884180 /nfs/dbraw/zinc/88/41/80/939884180.db2.gz PKEVUSIDPOWCCP-KRWDZBQOSA-N -1 1 401.445 4.341 20 30 HIEDMM O=C(Cn1cccn1)[N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000544012176 940299182 /nfs/dbraw/zinc/29/91/82/940299182.db2.gz VFWWMXGSMFVWIK-LBPRGKRZSA-N -1 1 419.247 4.341 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)c(OC3CCCC3)c2)n1 ZINC000544155732 940339545 /nfs/dbraw/zinc/33/95/45/940339545.db2.gz WRPDSDCRGCVSPL-OAHLLOKOSA-N -1 1 414.483 4.140 20 30 HIEDMM N#Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000547936785 941079826 /nfs/dbraw/zinc/07/98/26/941079826.db2.gz NFEXXAUNEWRPQQ-UHFFFAOYSA-N -1 1 405.646 4.017 20 30 HIEDMM N#Cc1cccc(OC2CCN(C(=O)c3c([O-])cnc4ccc(Cl)cc43)CC2)c1 ZINC000548944138 941131729 /nfs/dbraw/zinc/13/17/29/941131729.db2.gz ZXELZRVBVVRUDM-UHFFFAOYSA-N -1 1 407.857 4.149 20 30 HIEDMM C=CCC(C)(C)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)n1 ZINC000556361931 942850135 /nfs/dbraw/zinc/85/01/35/942850135.db2.gz KMPZPWRNJYBYON-UHFFFAOYSA-N -1 1 413.499 4.400 20 30 HIEDMM N#CCCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2Br)c1 ZINC000568824861 946721084 /nfs/dbraw/zinc/72/10/84/946721084.db2.gz YRFAJLOSWIVMKX-GOSISDBHSA-N -1 1 403.276 4.047 20 30 HIEDMM N#Cc1ccc(C2(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)CC2)cc1 ZINC000436091941 861373150 /nfs/dbraw/zinc/37/31/50/861373150.db2.gz KHQSOALFEURTIP-UHFFFAOYSA-N -1 1 417.490 4.029 20 30 HIEDMM C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000015508889 846055974 /nfs/dbraw/zinc/05/59/74/846055974.db2.gz RNPZDKYOHQIEHE-UHFFFAOYSA-N -1 1 418.824 4.075 20 30 HIEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C#N)c3)cc2)cc1 ZINC000015739012 846088009 /nfs/dbraw/zinc/08/80/09/846088009.db2.gz XWMBNHVXYULYGV-UHFFFAOYSA-N -1 1 421.478 4.010 20 30 HIEDMM C#Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)c1 ZINC000022409113 846567137 /nfs/dbraw/zinc/56/71/37/846567137.db2.gz MXVFMDCISWUWAB-UHFFFAOYSA-N -1 1 404.491 4.338 20 30 HIEDMM C=C(C)CN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000024458200 846826911 /nfs/dbraw/zinc/82/69/11/846826911.db2.gz LHJFHDLRSBQDHT-UHFFFAOYSA-N -1 1 410.898 4.318 20 30 HIEDMM N#Cc1cnn(-c2ccccc2[N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1N ZINC000024578433 846841535 /nfs/dbraw/zinc/84/15/35/846841535.db2.gz IIFRYTKOLBQYGB-UHFFFAOYSA-N -1 1 421.526 4.175 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)c3ccc(SC)cc3)n2)n[n-]c1=S ZINC000025681944 847019142 /nfs/dbraw/zinc/01/91/42/847019142.db2.gz NSVRISKDIFALRE-UHFFFAOYSA-N -1 1 403.558 4.148 20 30 HIEDMM N#Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000028700245 847451394 /nfs/dbraw/zinc/45/13/94/847451394.db2.gz UMXPCDMUFXBCMX-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000029329841 847546717 /nfs/dbraw/zinc/54/67/17/847546717.db2.gz KRQVJUJSPBLPCD-UHFFFAOYSA-N -1 1 400.287 4.102 20 30 HIEDMM C=CCN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-])C1CC1 ZINC000436762587 861951472 /nfs/dbraw/zinc/95/14/72/861951472.db2.gz CQEAKGJFNVGKPV-UHFFFAOYSA-N -1 1 415.287 4.198 20 30 HIEDMM N#C[C@@H](C(=O)C=Cc1ccc(Cl)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362376 849032431 /nfs/dbraw/zinc/03/24/31/849032431.db2.gz CURCWNKKLLPGRM-VSGCLNPGSA-N -1 1 409.898 4.406 20 30 HIEDMM CCOc1cc(-c2noc(-c3ccc(CC#N)cc3)n2)cc(Br)c1[O-] ZINC000436780304 861973540 /nfs/dbraw/zinc/97/35/40/861973540.db2.gz ZOAOLHOJRJMMHB-UHFFFAOYSA-N -1 1 400.232 4.336 20 30 HIEDMM N#CC(=C([O-])c1ccc(-c2ccccc2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391598 849308180 /nfs/dbraw/zinc/30/81/80/849308180.db2.gz MVQZITPWIQCGCB-HXUWFJFHSA-N -1 1 406.449 4.354 20 30 HIEDMM N#CC(=C([O-])c1ccc(CN2CCCC2=O)cc1)c1nc(-c2ccccc2)cs1 ZINC000051533471 849481795 /nfs/dbraw/zinc/48/17/95/849481795.db2.gz DGJWINPMXPVWIA-IBGZPJMESA-N -1 1 401.491 4.423 20 30 HIEDMM N#CC(=C([O-])c1ccc(C(N)=O)cc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000051559389 849484703 /nfs/dbraw/zinc/48/47/03/849484703.db2.gz XXUGEONBONDAEF-KGASDJBWSA-N -1 1 405.523 4.200 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)CCCc3ccc(C)cc3)n2)n[n-]c1=S ZINC000052314719 849569830 /nfs/dbraw/zinc/56/98/30/849569830.db2.gz BENALBGVOOYWGU-UHFFFAOYSA-N -1 1 413.572 4.444 20 30 HIEDMM COc1cc(-c2noc(C[C@H](CC#N)c3ccccc3)n2)cc(Br)c1[O-] ZINC000436881113 862058523 /nfs/dbraw/zinc/05/85/23/862058523.db2.gz VOPJEYKGGHCFFR-ZDUSSCGKSA-N -1 1 414.259 4.453 20 30 HIEDMM CC[C@@H](CC#N)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436965125 862146064 /nfs/dbraw/zinc/14/60/64/862146064.db2.gz KJWCGVSGOQRQSC-LBPRGKRZSA-N -1 1 406.269 4.373 20 30 HIEDMM N#CCC1(CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CC1 ZINC000436995620 862170393 /nfs/dbraw/zinc/17/03/93/862170393.db2.gz BJHQBFKLSWYQQT-UHFFFAOYSA-N -1 1 418.280 4.375 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3ccc(N(C)C)c(F)c3)nc2C)n[n-]c1=S ZINC000109388549 852963467 /nfs/dbraw/zinc/96/34/67/852963467.db2.gz VZTGENVIODUHSN-UHFFFAOYSA-N -1 1 418.523 4.016 20 30 HIEDMM C=C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000111033181 853190082 /nfs/dbraw/zinc/19/00/82/853190082.db2.gz OZZYZZJZCZIWIY-UHFFFAOYSA-N -1 1 408.882 4.072 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3cccc([N+](=O)[O-])c3C)nc2C)n[n-]c1=S ZINC000111200591 853221350 /nfs/dbraw/zinc/22/13/50/853221350.db2.gz NRIMTHHQGPLFDC-UHFFFAOYSA-N -1 1 416.488 4.028 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)Cn3c(C)cc4ccccc43)n2)n[n-]c1=S ZINC000115622829 853256163 /nfs/dbraw/zinc/25/61/63/853256163.db2.gz DCUYTWGPPCMNEK-UHFFFAOYSA-N -1 1 424.555 4.076 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)[C@@H](C)c3cccc(OC)c3)nc2C)n[n-]c1=S ZINC000195609131 853711813 /nfs/dbraw/zinc/71/18/13/853711813.db2.gz PYAXUMSUJYGGQL-NSHDSACASA-N -1 1 415.544 4.309 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)C[C@H]3CCc4ccccc43)n2)n[n-]c1=S ZINC000261461503 854270658 /nfs/dbraw/zinc/27/06/58/854270658.db2.gz TVNSMODZXDCLKO-CQSZACIVSA-N -1 1 411.556 4.233 20 30 HIEDMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000303421102 854924318 /nfs/dbraw/zinc/92/43/18/854924318.db2.gz AMRZOGOOSVGTEF-UHFFFAOYSA-N -1 1 405.907 4.306 20 30 HIEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000318395363 855383379 /nfs/dbraw/zinc/38/33/79/855383379.db2.gz HPYDFHZBVUZVIG-UHFFFAOYSA-N -1 1 407.623 4.053 20 30 HIEDMM N#Cc1ccc(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1[O-] ZINC000410171375 855849149 /nfs/dbraw/zinc/84/91/49/855849149.db2.gz LMSNRKCBSNJNPB-UHFFFAOYSA-N -1 1 408.351 4.263 20 30 HIEDMM C=CCOc1c(Br)cc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)cc1OC ZINC000426786783 856478029 /nfs/dbraw/zinc/47/80/29/856478029.db2.gz YMQLFYPNOMOFQX-OAHLLOKOSA-N -1 1 424.291 4.230 20 30 HIEDMM Cc1ccc(NC(=O)c2ccc(C#N)o2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000427984902 857033355 /nfs/dbraw/zinc/03/33/55/857033355.db2.gz REXGOEIQLZZNFM-UHFFFAOYSA-N -1 1 415.858 4.166 20 30 HIEDMM C=C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000428039282 857051553 /nfs/dbraw/zinc/05/15/53/857051553.db2.gz DHMARUILKMOQAO-INIZCTEOSA-N -1 1 422.909 4.461 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1Br ZINC000432765835 859344920 /nfs/dbraw/zinc/34/49/20/859344920.db2.gz NPEDEIGVGZKXIG-UHFFFAOYSA-N -1 1 421.316 4.048 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)cc1Br ZINC000432950302 859443946 /nfs/dbraw/zinc/44/39/46/859443946.db2.gz RXGYCUIDEGUTBY-UHFFFAOYSA-N -1 1 414.284 4.184 20 30 HIEDMM N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000433219530 859573954 /nfs/dbraw/zinc/57/39/54/859573954.db2.gz IHENVVDTVQQQAC-IBGZPJMESA-N -1 1 419.506 4.198 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2C)ccc1C#N ZINC000435753732 861032842 /nfs/dbraw/zinc/03/28/42/861032842.db2.gz BGFSSMIYSCHHBJ-UHFFFAOYSA-N -1 1 411.527 4.038 20 30 HIEDMM N#Cc1csc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000438548584 863977762 /nfs/dbraw/zinc/97/77/62/863977762.db2.gz SVAISXOHGIYLCO-UHFFFAOYSA-N -1 1 417.899 4.326 20 30 HIEDMM Cc1c(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cnn1CCC(C)C ZINC000442072698 867103461 /nfs/dbraw/zinc/10/34/61/867103461.db2.gz GXYBVAUNBNOBKL-HNNXBMFYSA-N -1 1 423.542 4.317 20 30 HIEDMM COc1cc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)ccc1OCc1ccccc1 ZINC000442724297 867648049 /nfs/dbraw/zinc/64/80/49/867648049.db2.gz VGRGZJBBGPBATM-INIZCTEOSA-N -1 1 402.450 4.342 20 30 HIEDMM Cc1cccc2nc(C(C#N)=C([O-])c3nc(C(C)C)n(-c4ccccc4F)n3)[nH]c21 ZINC000442739574 867657543 /nfs/dbraw/zinc/65/75/43/867657543.db2.gz QJQLYRUDMFNWQZ-AWEZNQCLSA-N -1 1 402.433 4.205 20 30 HIEDMM CCCc1c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cnn1-c1cccc(C#N)c1 ZINC000442934755 867749504 /nfs/dbraw/zinc/74/95/04/867749504.db2.gz MIFMWKAGFCPLJF-UHFFFAOYSA-N -1 1 410.861 4.316 20 30 HIEDMM C=C[C@@](C)(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000443334772 867909697 /nfs/dbraw/zinc/90/96/97/867909697.db2.gz NBMQEXZSRYUBCJ-NRFANRHFSA-N -1 1 418.515 4.045 20 30 HIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000443413302 867998462 /nfs/dbraw/zinc/99/84/62/867998462.db2.gz FUVACGBZPQULLW-UHFFFAOYSA-N -1 1 423.332 4.327 20 30 HIEDMM Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000461917761 875059593 /nfs/dbraw/zinc/05/95/93/875059593.db2.gz KMHMMAPYHCKQAR-QGZVFWFLSA-N -1 1 419.506 4.410 20 30 HIEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)cc1 ZINC000463528526 876601825 /nfs/dbraw/zinc/60/18/25/876601825.db2.gz XVHDZOSKWHOVQZ-UHFFFAOYSA-N -1 1 411.936 4.170 20 30 HIEDMM N#CC(=C([O-])c1csc(I)c1)c1cc(C(F)(F)F)ccn1 ZINC000464412699 877618673 /nfs/dbraw/zinc/61/86/73/877618673.db2.gz WHPDTYYGQSPBJH-VIFPVBQESA-N -1 1 422.169 4.257 20 30 HIEDMM CCOc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)ccc1C ZINC000503503966 912549708 /nfs/dbraw/zinc/54/97/08/912549708.db2.gz UGLILTMHBXWJAZ-OAHLLOKOSA-N -1 1 407.495 4.473 20 30 HIEDMM Cc1c(=O)[n-]c(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc1-c1ccccc1 ZINC000467210117 880939143 /nfs/dbraw/zinc/93/91/43/880939143.db2.gz ADTLJBCNFLAZHG-LJQANCHMSA-N -1 1 416.506 4.317 20 30 HIEDMM C=CCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000469875187 884065929 /nfs/dbraw/zinc/06/59/29/884065929.db2.gz KJJPPZGHJJNXQE-UHFFFAOYSA-N -1 1 412.433 4.154 20 30 HIEDMM C[C@@H](C(=O)[N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N(C)CC(F)(F)F ZINC000503958574 912884595 /nfs/dbraw/zinc/88/45/95/912884595.db2.gz FDEDEPUQVZPWCO-KWQFWETISA-N -1 1 410.280 4.308 20 30 HIEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cc4nccnc4cc3F)s2)cc1 ZINC000470717101 885157818 /nfs/dbraw/zinc/15/78/18/885157818.db2.gz HVVSOYNZZNUGNC-UHFFFAOYSA-N -1 1 422.470 4.037 20 30 HIEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ccc(F)c(F)c3F)s2)cc1 ZINC000470890707 885384960 /nfs/dbraw/zinc/38/49/60/885384960.db2.gz JNULEEFRURMTID-UHFFFAOYSA-N -1 1 406.414 4.372 20 30 HIEDMM O=C([N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471090809 885619226 /nfs/dbraw/zinc/61/92/26/885619226.db2.gz MVDLHKAAKDZHSZ-CMPLNLGQSA-N -1 1 422.291 4.309 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 ZINC000475821806 890756390 /nfs/dbraw/zinc/75/63/90/890756390.db2.gz PNVKQGUQHVTPKR-UHFFFAOYSA-N -1 1 424.432 4.375 20 30 HIEDMM Cc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000478401510 893683690 /nfs/dbraw/zinc/68/36/90/893683690.db2.gz QWQMGPHVKMGXNP-UHFFFAOYSA-N -1 1 419.506 4.239 20 30 HIEDMM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000490412743 903993934 /nfs/dbraw/zinc/99/39/34/903993934.db2.gz FQMFGRSJIXWEAU-RTBURBONSA-N -1 1 420.918 4.061 20 30 HIEDMM CCn1cc(Br)cc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000512953131 921434917 /nfs/dbraw/zinc/43/49/17/921434917.db2.gz PYOQFVATJYKJHO-ZDUSSCGKSA-N -1 1 401.289 4.279 20 30 HIEDMM Cc1c(C#N)cccc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000513206856 921622899 /nfs/dbraw/zinc/62/28/99/921622899.db2.gz OYILSNHDWGCVMI-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccccc3)c2C(F)(F)F)nc2ccccc21 ZINC000513660054 921982517 /nfs/dbraw/zinc/98/25/17/921982517.db2.gz JLJDLTOFLNWFHI-CQSZACIVSA-N -1 1 409.371 4.268 20 30 HIEDMM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000517489259 924226107 /nfs/dbraw/zinc/22/61/07/924226107.db2.gz HZGSQSRUHCCUBY-UHFFFAOYSA-N -1 1 414.918 4.381 20 30 HIEDMM N#CCCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)cc1 ZINC000518148471 927048508 /nfs/dbraw/zinc/04/85/08/927048508.db2.gz HSOQZGHFPLZRQR-UHFFFAOYSA-N -1 1 423.469 4.187 20 30 HIEDMM Cn1c(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc2ccccc21 ZINC000518175822 927064211 /nfs/dbraw/zinc/06/42/11/927064211.db2.gz HVLAMHNQXIJVNS-CQSZACIVSA-N -1 1 402.479 4.257 20 30 HIEDMM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000520186276 928375745 /nfs/dbraw/zinc/37/57/45/928375745.db2.gz GZFQCMUCIXISOR-CQSZACIVSA-N -1 1 404.513 4.043 20 30 HIEDMM CC(=Cc1cc(Br)c(C)c(Br)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000520436894 928566249 /nfs/dbraw/zinc/56/62/49/928566249.db2.gz JDYYCRBFGMTBHA-XBXARRHUSA-N -1 1 423.108 4.344 20 30 HIEDMM CC(C)[C@@H](O)C(=O)[N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000521012981 928930297 /nfs/dbraw/zinc/93/02/97/928930297.db2.gz HEIRJDLUSWSBMP-MNOVXSKESA-N -1 1 411.264 4.461 20 30 HIEDMM CCN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000521602283 929323513 /nfs/dbraw/zinc/32/35/13/929323513.db2.gz ZIPYLWKXDYTSLV-UHFFFAOYSA-N -1 1 419.506 4.140 20 30 HIEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1OCC ZINC000521712062 929381333 /nfs/dbraw/zinc/38/13/33/929381333.db2.gz GZDBPJYLFSFZKW-UHFFFAOYSA-N -1 1 406.529 4.291 20 30 HIEDMM C=C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CC1 ZINC000521726475 929392161 /nfs/dbraw/zinc/39/21/61/929392161.db2.gz OYMYFTVVNIFMFV-UHFFFAOYSA-N -1 1 404.919 4.241 20 30 HIEDMM N#CC(=C([O-])c1cccc(OCC(F)(F)F)n1)c1nc2ccccc2n1C(F)F ZINC000524810268 929839022 /nfs/dbraw/zinc/83/90/22/929839022.db2.gz SQQNNKSNXWMLAQ-JTQLQIEISA-N -1 1 410.302 4.258 20 30 HIEDMM C=C(C)[C@@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)OCC ZINC000533691579 931971630 /nfs/dbraw/zinc/97/16/30/931971630.db2.gz BRQPEUWQZQYEBO-LJQANCHMSA-N -1 1 402.516 4.106 20 30 HIEDMM N#C[C@H](C(=O)c1cccc([C@@H]2CCOC2)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000535637963 933279346 /nfs/dbraw/zinc/27/93/46/933279346.db2.gz LWJHKPMBHFIBPW-NVXWUHKLSA-N -1 1 419.506 4.270 20 30 HIEDMM O=C([N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1CC(=O)C1 ZINC000543098734 939943426 /nfs/dbraw/zinc/94/34/26/939943426.db2.gz RSEMUJAONSZLPH-LLVKDONJSA-N -1 1 407.232 4.423 20 30 HIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000544098448 940326067 /nfs/dbraw/zinc/32/60/67/940326067.db2.gz MPUYLCMTSJCEJP-UHFFFAOYSA-N -1 1 402.447 4.378 20 30 HIEDMM CC(C)(C#N)c1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000544824697 940517709 /nfs/dbraw/zinc/51/77/09/940517709.db2.gz RKQOEGMFFQESJP-UHFFFAOYSA-N -1 1 406.223 4.050 20 30 HIEDMM CC(C)CN(C(=O)c1ccc(I)c([O-])c1)c1ccc(C#N)cc1 ZINC000546930249 940916919 /nfs/dbraw/zinc/91/69/19/940916919.db2.gz DITKMYMKKJBCQU-UHFFFAOYSA-N -1 1 420.250 4.171 20 30 HIEDMM COc1cccc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)c1OCc1ccccc1F ZINC000549151304 941165795 /nfs/dbraw/zinc/16/57/95/941165795.db2.gz IPYAGGSKJSOBRN-UHFFFAOYSA-N -1 1 420.440 4.263 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)cc1Cl ZINC000550111680 941286038 /nfs/dbraw/zinc/28/60/38/941286038.db2.gz BOSRGKIYZFZSNO-UHFFFAOYSA-N -1 1 410.789 4.000 20 30 HIEDMM CC(C)(CCC#N)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000554097764 942035335 /nfs/dbraw/zinc/03/53/35/942035335.db2.gz ANOXPQKWPHKHGN-UHFFFAOYSA-N -1 1 419.934 4.201 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1F ZINC000008033424 845465965 /nfs/dbraw/zinc/46/59/65/845465965.db2.gz TVKXQITXOQYIHZ-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM COc1cc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)[O-])o3)cc2)cc([N+](=O)[O-])c1O ZINC000026763108 847194541 /nfs/dbraw/zinc/19/45/41/847194541.db2.gz ABLFNSRSKHMFQX-FARCUNLSSA-N -1 1 409.350 4.163 20 30 HIEDMM C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CCCC)cc2)ccc1Cl ZINC000027636443 847330558 /nfs/dbraw/zinc/33/05/58/847330558.db2.gz OKGKCXVCVYCNFP-UHFFFAOYSA-N -1 1 406.935 4.399 20 30 HIEDMM N#C[C@H](C(=O)c1cc2c(s1)CCCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707226 848915482 /nfs/dbraw/zinc/91/54/82/848915482.db2.gz HNTXRPWVTLVUMF-CYBMUJFWSA-N -1 1 409.536 4.294 20 30 HIEDMM O=C(Nc1nnc(-c2ccsc2)s1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000052495803 849588385 /nfs/dbraw/zinc/58/83/85/849588385.db2.gz HHEIBPOBINBQPA-UHFFFAOYSA-N -1 1 414.512 4.113 20 30 HIEDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccc(CC#N)cc2)cc1 ZINC000055664277 850104174 /nfs/dbraw/zinc/10/41/74/850104174.db2.gz RSJHVLVFEWCOJJ-UHFFFAOYSA-N -1 1 408.479 4.141 20 30 HIEDMM N#CCCC[C@H](NC(=O)c1cc(I)ccc1[O-])c1ccccc1 ZINC000436926972 862106228 /nfs/dbraw/zinc/10/62/28/862106228.db2.gz PRISXMCSAPHSMI-INIZCTEOSA-N -1 1 420.250 4.162 20 30 HIEDMM CCN(C[C@H](C)C#N)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000056408998 850351765 /nfs/dbraw/zinc/35/17/65/850351765.db2.gz BPQAWNYIHGTRIP-CQSZACIVSA-N -1 1 419.934 4.071 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)c3cccc(C#N)c3)c2)c1 ZINC000064320809 851871297 /nfs/dbraw/zinc/87/12/97/851871297.db2.gz HUCNYVFPFRIUAD-UHFFFAOYSA-N -1 1 419.506 4.253 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)ccc1C(F)(F)F ZINC000410332373 855933393 /nfs/dbraw/zinc/93/33/93/855933393.db2.gz JSEHXWNINLWRCG-UHFFFAOYSA-N -1 1 416.331 4.192 20 30 HIEDMM COc1ccccc1[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000426769582 856467760 /nfs/dbraw/zinc/46/77/60/856467760.db2.gz KBIALCNHSZYQIK-QHCPKHFHSA-N -1 1 402.450 4.061 20 30 HIEDMM COc1ccccc1[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000426786205 856476759 /nfs/dbraw/zinc/47/67/59/856476759.db2.gz UHFNAAFHCUPMKS-HSZRJFAPSA-N -1 1 402.450 4.061 20 30 HIEDMM Cc1c([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cccc1-c1ncco1 ZINC000427322202 856769798 /nfs/dbraw/zinc/76/97/98/856769798.db2.gz SDOQGLULLINVQL-UHFFFAOYSA-N -1 1 418.272 4.085 20 30 HIEDMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccnc(C#N)c4)cc3)cc2s1 ZINC000427345673 856783436 /nfs/dbraw/zinc/78/34/36/856783436.db2.gz PQOMUDWXFCQUNT-UHFFFAOYSA-N -1 1 422.491 4.465 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(C(F)(F)F)c2)cc1F ZINC000427347291 856784773 /nfs/dbraw/zinc/78/47/73/856784773.db2.gz NFIGEMYOTWSSMD-UHFFFAOYSA-N -1 1 410.295 4.118 20 30 HIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc(COC)cc(C(=O)OC)c1 ZINC000427772568 856948241 /nfs/dbraw/zinc/94/82/41/856948241.db2.gz VRFUXKCBLZWBTH-UHFFFAOYSA-N -1 1 417.527 4.272 20 30 HIEDMM Cc1c(C#N)cccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000431837573 858834579 /nfs/dbraw/zinc/83/45/79/858834579.db2.gz XEACDEAUMXPATI-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(C#N)c3C)cc2)cc1 ZINC000431869713 858847487 /nfs/dbraw/zinc/84/74/87/858847487.db2.gz GISRAHSPJPCNSY-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM O=S(=O)([N-][C@H](c1cc(F)ccc1F)C(F)F)c1ccccc1C(F)(F)F ZINC000432952079 859445150 /nfs/dbraw/zinc/44/51/50/859445150.db2.gz XNGBYAQNQZFFSW-CYBMUJFWSA-N -1 1 401.303 4.268 20 30 HIEDMM Cc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000433332664 859647959 /nfs/dbraw/zinc/64/79/59/859647959.db2.gz XJEKHSZOHWEVQN-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM Cn1cc(Br)cc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000434622186 860435326 /nfs/dbraw/zinc/43/53/26/860435326.db2.gz BLBKQLZRSANIEI-CQSZACIVSA-N -1 1 411.284 4.273 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)cc1C(F)(F)F ZINC000435179186 860681127 /nfs/dbraw/zinc/68/11/27/860681127.db2.gz XCTKZLLEHLIQBW-UHFFFAOYSA-N -1 1 403.385 4.440 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)cc1Cl ZINC000435195277 860691094 /nfs/dbraw/zinc/69/10/94/860691094.db2.gz YFNOGAZXBBHSGC-UHFFFAOYSA-N -1 1 400.891 4.089 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)c(C(F)(F)F)c2)cc1 ZINC000435720638 861004935 /nfs/dbraw/zinc/00/49/35/861004935.db2.gz ZNKVZBJNFPPDRO-UHFFFAOYSA-N -1 1 406.332 4.022 20 30 HIEDMM N#Cc1csc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000438544872 863971484 /nfs/dbraw/zinc/97/14/84/863971484.db2.gz HYAJBBJANKSEPL-UHFFFAOYSA-N -1 1 417.899 4.326 20 30 HIEDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)c(F)c2)cc1 ZINC000438715586 864199555 /nfs/dbraw/zinc/19/95/55/864199555.db2.gz GPAMTMNNVOHOOE-UHFFFAOYSA-N -1 1 410.426 4.493 20 30 HIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000438760323 864254702 /nfs/dbraw/zinc/25/47/02/864254702.db2.gz WFFFGICKLBFXIH-UHFFFAOYSA-N -1 1 413.421 4.122 20 30 HIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(N4CCNC4=O)c3C)n2)cc1 ZINC000442668459 867605056 /nfs/dbraw/zinc/60/50/56/867605056.db2.gz APPFMGGPNSSCOC-SFHVURJKSA-N -1 1 416.506 4.447 20 30 HIEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000442852965 867698353 /nfs/dbraw/zinc/69/83/53/867698353.db2.gz GZJJXCMDSBLXMF-HNNXBMFYSA-N -1 1 400.438 4.399 20 30 HIEDMM COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(C#N)c([O-])c1)CC2 ZINC000442901750 867731243 /nfs/dbraw/zinc/73/12/43/867731243.db2.gz UMNMJFVCORFDHG-QFIPXVFZSA-N -1 1 420.490 4.130 20 30 HIEDMM N#Cc1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)cc1[O-] ZINC000443119378 867828395 /nfs/dbraw/zinc/82/83/95/867828395.db2.gz LKPATAOZBJYEHS-GOSISDBHSA-N -1 1 406.417 4.210 20 30 HIEDMM N#Cc1ccc(C(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)cc1[O-] ZINC000443136817 867836057 /nfs/dbraw/zinc/83/60/57/867836057.db2.gz RKQFKIMRKZZCDC-UHFFFAOYSA-N -1 1 404.388 4.214 20 30 HIEDMM CC(C)n1cc2cc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)ccc2n1 ZINC000443358163 867924478 /nfs/dbraw/zinc/92/44/78/867924478.db2.gz HGPLOFHLTFLRKX-UHFFFAOYSA-N -1 1 419.304 4.052 20 30 HIEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1 ZINC000443376174 867937883 /nfs/dbraw/zinc/93/78/83/867937883.db2.gz WAEGEUOYVOQENM-UHFFFAOYSA-N -1 1 418.272 4.140 20 30 HIEDMM N#Cc1ccc(SCC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cc1 ZINC000444395287 868808426 /nfs/dbraw/zinc/80/84/26/868808426.db2.gz VPTKWNNQXBDQFF-UHFFFAOYSA-N -1 1 409.511 4.057 20 30 HIEDMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(C#N)c1 ZINC000462289089 875413186 /nfs/dbraw/zinc/41/31/86/875413186.db2.gz LOLYFSOWULUSQY-INIZCTEOSA-N -1 1 405.479 4.101 20 30 HIEDMM C=CCOCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000463243050 876299660 /nfs/dbraw/zinc/29/96/60/876299660.db2.gz PQDONDWKBCFBBP-UHFFFAOYSA-N -1 1 422.934 4.371 20 30 HIEDMM N#C[C@H](C(=O)c1nccc2ccccc21)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000503501505 912548385 /nfs/dbraw/zinc/54/83/85/912548385.db2.gz MIEMHWJLCXWILQ-OAHLLOKOSA-N -1 1 400.463 4.314 20 30 HIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1 ZINC000473763346 888558718 /nfs/dbraw/zinc/55/87/18/888558718.db2.gz TXCDQQPTXPPXOE-UHFFFAOYSA-N -1 1 416.543 4.050 20 30 HIEDMM Cc1nc(CC(C)C)oc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000475027458 889879996 /nfs/dbraw/zinc/87/99/96/889879996.db2.gz GTFLVGCKUZZGIC-CYBMUJFWSA-N -1 1 410.499 4.261 20 30 HIEDMM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475807208 890741219 /nfs/dbraw/zinc/74/12/19/890741219.db2.gz JCGCQINXBXBZNJ-UHFFFAOYSA-N -1 1 419.462 4.226 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000475819364 890753284 /nfs/dbraw/zinc/75/32/84/890753284.db2.gz LYOLIZGHVNJGPI-MHZLTWQESA-N -1 1 416.568 4.135 20 30 HIEDMM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475820418 890755149 /nfs/dbraw/zinc/75/51/49/890755149.db2.gz JBNUVXFHISGYML-UHFFFAOYSA-N -1 1 417.490 4.199 20 30 HIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000475824350 890757728 /nfs/dbraw/zinc/75/77/28/890757728.db2.gz BEHIALLCVSKJPO-UHFFFAOYSA-N -1 1 406.332 4.174 20 30 HIEDMM N#Cc1ccc(C(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1[O-] ZINC000476549521 891464136 /nfs/dbraw/zinc/46/41/36/891464136.db2.gz ZUKAVCMMDDYHDZ-IBGZPJMESA-N -1 1 422.282 4.135 20 30 HIEDMM N#Cc1ccc(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1[O-] ZINC000476549525 891464251 /nfs/dbraw/zinc/46/42/51/891464251.db2.gz ZUKAVCMMDDYHDZ-LJQANCHMSA-N -1 1 422.282 4.135 20 30 HIEDMM COC(=O)c1ccc([C@H]([N-]C(=O)c2c(F)c(F)cc(F)c2F)C(F)(F)F)cc1 ZINC000484345075 899894349 /nfs/dbraw/zinc/89/43/49/899894349.db2.gz OZVNOJIAVBTHEG-AWEZNQCLSA-N -1 1 409.257 4.063 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(F)c3)c(F)c2)cc1 ZINC000485123819 900428643 /nfs/dbraw/zinc/42/86/43/900428643.db2.gz SHSHWMOCOWSHKE-UHFFFAOYSA-N -1 1 400.406 4.216 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](OCc2ccccc2)c2ccc(Cl)cc2)o1 ZINC000490423296 904000260 /nfs/dbraw/zinc/00/02/60/904000260.db2.gz OEDUHGOCLPIDNY-IBGZPJMESA-N -1 1 416.886 4.041 20 30 HIEDMM CCc1c(Br)cc(C([O-])=C(C#N)c2ccncn2)cc1Br ZINC000502746219 911769086 /nfs/dbraw/zinc/76/90/86/911769086.db2.gz CLLNCDORWVVGKX-LLVKDONJSA-N -1 1 409.081 4.054 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1COc1ccc(CC#N)cc1 ZINC000513379835 921753281 /nfs/dbraw/zinc/75/32/81/921753281.db2.gz YDWOBPBMUBVAAX-UHFFFAOYSA-N -1 1 417.490 4.313 20 30 HIEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000506724320 915407647 /nfs/dbraw/zinc/40/76/47/915407647.db2.gz AADPOUUWJYBGRR-UHFFFAOYSA-N -1 1 407.495 4.462 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(COc2ccc(CC#N)cc2)c1 ZINC000513427067 921797155 /nfs/dbraw/zinc/79/71/55/921797155.db2.gz ONUFMAOZCXKOAF-UHFFFAOYSA-N -1 1 417.490 4.313 20 30 HIEDMM CCOc1ccc(C#N)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000510236132 918776285 /nfs/dbraw/zinc/77/62/85/918776285.db2.gz AXRJMRHTKPWAIF-UHFFFAOYSA-N -1 1 421.478 4.010 20 30 HIEDMM N#C[C@@H](C(=O)c1cnc(-c2ccco2)s1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000510345161 918843714 /nfs/dbraw/zinc/84/37/14/918843714.db2.gz FLBRNDXSFHAEAY-NSHDSACASA-N -1 1 422.491 4.482 20 30 HIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1cccc(Cl)c1 ZINC000513666812 921989273 /nfs/dbraw/zinc/98/92/73/921989273.db2.gz OYSGJZOBKWKJRF-MRXNPFEDSA-N -1 1 403.873 4.465 20 30 HIEDMM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000515632879 923235421 /nfs/dbraw/zinc/23/54/21/923235421.db2.gz HEWPEPOXMNLNEH-UHFFFAOYSA-N -1 1 424.869 4.380 20 30 HIEDMM C=CCN(Cc1ccccc1F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000515985018 923480164 /nfs/dbraw/zinc/48/01/64/923480164.db2.gz RWDKLJHRTFFJTJ-UHFFFAOYSA-N -1 1 424.497 4.455 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000516238034 923621434 /nfs/dbraw/zinc/62/14/34/923621434.db2.gz ANLPCQDRMMPONA-UHFFFAOYSA-N -1 1 414.527 4.009 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)n1 ZINC000516352314 923682373 /nfs/dbraw/zinc/68/23/73/923682373.db2.gz NPMFDCYZRJQWIJ-MLGOLLRUSA-N -1 1 407.495 4.416 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C#Cc3ccccc3)cc2)n1 ZINC000517927505 926893263 /nfs/dbraw/zinc/89/32/63/926893263.db2.gz PWSHWOZBIJOYME-LJQANCHMSA-N -1 1 400.459 4.210 20 30 HIEDMM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)ccn1 ZINC000518268647 927127091 /nfs/dbraw/zinc/12/70/91/927127091.db2.gz YOTCXLIRZSSBMP-UHFFFAOYSA-N -1 1 410.842 4.071 20 30 HIEDMM Cc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000531809007 931205586 /nfs/dbraw/zinc/20/55/86/931205586.db2.gz GSSGMPQCCWLZEX-UHFFFAOYSA-N -1 1 417.918 4.328 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)c(Cl)c1 ZINC000534498765 932533913 /nfs/dbraw/zinc/53/39/13/932533913.db2.gz IHTASDBDIIDHRK-UHFFFAOYSA-N -1 1 407.623 4.053 20 30 HIEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000538048483 938481863 /nfs/dbraw/zinc/48/18/63/938481863.db2.gz ATXDOQIPXQEGJD-UHFFFAOYSA-N -1 1 424.457 4.065 20 30 HIEDMM CCSc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)ccn1 ZINC000543573038 940115471 /nfs/dbraw/zinc/11/54/71/940115471.db2.gz SUENAZMLBURIFE-CYBMUJFWSA-N -1 1 410.524 4.273 20 30 HIEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCCCC#N)cc1 ZINC000544257255 940370271 /nfs/dbraw/zinc/37/02/71/940370271.db2.gz XFBLTCOAXZFECO-UHFFFAOYSA-N -1 1 413.543 4.127 20 30 HIEDMM N#CC(=C([O-])c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)c1ccncn1 ZINC000544816016 940516945 /nfs/dbraw/zinc/51/69/45/940516945.db2.gz QGMYQXSDQROCOS-KRWDZBQOSA-N -1 1 401.813 4.337 20 30 HIEDMM N#CC(=C([O-])c1cc(Br)ccc1OCc1ccccc1)c1ccncn1 ZINC000545446656 940570319 /nfs/dbraw/zinc/57/03/19/940570319.db2.gz QYUNAPYHTKKAOA-QGZVFWFLSA-N -1 1 408.255 4.308 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc4c3CC(=O)CC4)n2)cc1 ZINC000564508030 945636218 /nfs/dbraw/zinc/63/62/18/945636218.db2.gz ZLCMMXFREPLNMG-FQEVSTJZSA-N -1 1 402.475 4.367 20 30 HIEDMM N#CC(=C([O-])c1cccc(-c2nc[nH]n2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000569948218 947048972 /nfs/dbraw/zinc/04/89/72/947048972.db2.gz KIVZYAXMPIKSGI-CYBMUJFWSA-N -1 1 407.405 4.363 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)cc1C ZINC000015029535 846001889 /nfs/dbraw/zinc/00/18/89/846001889.db2.gz HPVOCDUIRPYUTG-UHFFFAOYSA-N -1 1 419.506 4.423 20 30 HIEDMM C=CCN(Cc1cccs1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000023739139 846744606 /nfs/dbraw/zinc/74/46/06/846744606.db2.gz SUFXSLGCULVFOX-UHFFFAOYSA-N -1 1 412.536 4.377 20 30 HIEDMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000028436440 847421113 /nfs/dbraw/zinc/42/11/13/847421113.db2.gz VSKNPZDEWMOJGP-UHFFFAOYSA-N -1 1 407.499 4.101 20 30 HIEDMM N#CC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCCC1 ZINC000042064939 848280506 /nfs/dbraw/zinc/28/05/06/848280506.db2.gz UHQPSNLVARNHAQ-UHFFFAOYSA-N -1 1 403.891 4.163 20 30 HIEDMM COCCOc1ccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)cc1OC ZINC000044027586 848503350 /nfs/dbraw/zinc/50/33/50/848503350.db2.gz HMHRKSTXCSEFPM-ZZXKWVIFSA-N -1 1 407.260 4.085 20 30 HIEDMM N#C[C@H](C(=O)c1ccc(OC(F)F)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707218 848915011 /nfs/dbraw/zinc/91/50/11/848915011.db2.gz VTAXYMRJGIKLQZ-CYBMUJFWSA-N -1 1 415.421 4.367 20 30 HIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C)c(S(C)(=O)=O)c3)n2)cc1 ZINC000051154739 849437875 /nfs/dbraw/zinc/43/78/75/849437875.db2.gz IKBMNWIVXNHRRW-QGZVFWFLSA-N -1 1 410.520 4.321 20 30 HIEDMM C=CCOc1ccccc1-c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436878537 862057521 /nfs/dbraw/zinc/05/75/21/862057521.db2.gz JMVBCRFUHSEBJR-UHFFFAOYSA-N -1 1 403.232 4.445 20 30 HIEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(C#N)c3)c2)cc1F ZINC000055590426 850067188 /nfs/dbraw/zinc/06/71/88/850067188.db2.gz PXTUCKPIYDUJGS-UHFFFAOYSA-N -1 1 412.442 4.086 20 30 HIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000055640111 850088727 /nfs/dbraw/zinc/08/87/27/850088727.db2.gz PPJZZVSGIWHVMM-UHFFFAOYSA-N -1 1 400.378 4.069 20 30 HIEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000055652356 850097838 /nfs/dbraw/zinc/09/78/38/850097838.db2.gz JWZIWDHCMHUYAN-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM Cc1ccc(C#N)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000064070201 851824375 /nfs/dbraw/zinc/82/43/75/851824375.db2.gz XBVPQMGGFMDKMR-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1 ZINC000064320856 851871445 /nfs/dbraw/zinc/87/14/45/851871445.db2.gz VQNGNTXOUPGLBP-UHFFFAOYSA-N -1 1 423.469 4.083 20 30 HIEDMM N#CC(=C([O-])c1ccc(Cn2cncn2)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000064714841 851964964 /nfs/dbraw/zinc/96/49/64/851964964.db2.gz WUUPSXUMFAQQBJ-HNNXBMFYSA-N -1 1 421.432 4.218 20 30 HIEDMM C=CCn1c(-c2sc(NC(=O)c3cccc(C)c3[N+](=O)[O-])nc2C)n[n-]c1=S ZINC000111200495 853221071 /nfs/dbraw/zinc/22/10/71/853221071.db2.gz TWMDJESVIWJYGJ-UHFFFAOYSA-N -1 1 416.488 4.028 20 30 HIEDMM C#Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000115491853 853252491 /nfs/dbraw/zinc/25/24/91/853252491.db2.gz YEQIABLYVFLVGJ-UHFFFAOYSA-N -1 1 404.491 4.338 20 30 HIEDMM CCc1nnc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C#N)c1CC ZINC000301657803 854439227 /nfs/dbraw/zinc/43/92/27/854439227.db2.gz VYTBEFXAMQGRTI-UHFFFAOYSA-N -1 1 408.483 4.066 20 30 HIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)c(F)c1 ZINC000410381637 855963489 /nfs/dbraw/zinc/96/34/89/855963489.db2.gz JKJQHESSHPSJHE-UHFFFAOYSA-N -1 1 423.185 4.279 20 30 HIEDMM CCC(CC)n1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000431257099 858534541 /nfs/dbraw/zinc/53/45/41/858534541.db2.gz KJHTXPKVBMXUOD-CQSZACIVSA-N -1 1 409.515 4.323 20 30 HIEDMM N#CC1(C(=O)Nc2cc([O-])c(Br)cc2Br)CCCCC1 ZINC000431449773 858621497 /nfs/dbraw/zinc/62/14/97/858621497.db2.gz RDUYCNIPJKLWTR-UHFFFAOYSA-N -1 1 402.086 4.330 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C#N)c3C)cc2)ccc1F ZINC000431849894 858839198 /nfs/dbraw/zinc/83/91/98/858839198.db2.gz GNURBTQUFULOPH-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000432064239 858962491 /nfs/dbraw/zinc/96/24/91/858962491.db2.gz DNWBNVAJZNVSTE-UHFFFAOYSA-N -1 1 414.712 4.207 20 30 HIEDMM N#Cc1cscc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000432067109 858964378 /nfs/dbraw/zinc/96/43/78/858964378.db2.gz NQSJHJJIUSSHQS-UHFFFAOYSA-N -1 1 417.899 4.326 20 30 HIEDMM C=CCC(C)(C)CNC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000432568906 859231319 /nfs/dbraw/zinc/23/13/19/859231319.db2.gz VVHIRQUKRAVLAN-UHFFFAOYSA-N -1 1 415.559 4.231 20 30 HIEDMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)cc2)o1 ZINC000432761358 859339936 /nfs/dbraw/zinc/33/99/36/859339936.db2.gz SKEOGRJPZUOJGC-UHFFFAOYSA-N -1 1 418.272 4.085 20 30 HIEDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)c2)o1 ZINC000432764463 859344218 /nfs/dbraw/zinc/34/42/18/859344218.db2.gz VHAAQUFLMFJXDA-UHFFFAOYSA-N -1 1 418.272 4.085 20 30 HIEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[nH]n1 ZINC000434971421 860581516 /nfs/dbraw/zinc/58/15/16/860581516.db2.gz JNXNUAUHDWDQRB-UHFFFAOYSA-N -1 1 406.389 4.076 20 30 HIEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1C#N ZINC000435136310 860658583 /nfs/dbraw/zinc/65/85/83/860658583.db2.gz AMGSFFKWAVAMRN-UHFFFAOYSA-N -1 1 413.268 4.048 20 30 HIEDMM N#Cc1cccc(C2(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)CC2)c1 ZINC000435576026 860892813 /nfs/dbraw/zinc/89/28/13/860892813.db2.gz UHYUUUJWSJGWHQ-UHFFFAOYSA-N -1 1 417.490 4.029 20 30 HIEDMM C=CCC[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC000435754438 861032677 /nfs/dbraw/zinc/03/26/77/861032677.db2.gz WWOVCFNTVQRROT-NRFANRHFSA-N -1 1 402.498 4.309 20 30 HIEDMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)c(F)c2)c1 ZINC000438724732 864208031 /nfs/dbraw/zinc/20/80/31/864208031.db2.gz RCWNDMHZHRVTNX-UHFFFAOYSA-N -1 1 412.442 4.437 20 30 HIEDMM N#CCSc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1 ZINC000444390009 868804551 /nfs/dbraw/zinc/80/45/51/868804551.db2.gz DYBFTWUETKIZFY-UHFFFAOYSA-N -1 1 409.511 4.323 20 30 HIEDMM CC[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000468569328 882632350 /nfs/dbraw/zinc/63/23/50/882632350.db2.gz ICWGEZHKKZJWHD-LJQANCHMSA-N -1 1 419.506 4.186 20 30 HIEDMM Cc1ccc(NC(=O)CC(C)(C)C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000468892418 882938592 /nfs/dbraw/zinc/93/85/92/882938592.db2.gz JANPNQLQGPMRCH-UHFFFAOYSA-N -1 1 405.907 4.328 20 30 HIEDMM N#CC(=C([O-])c1cc(Br)cc([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC000464414228 877620227 /nfs/dbraw/zinc/62/02/27/877620227.db2.gz ICIJDFAHOXGXKE-LBPRGKRZSA-N -1 1 414.137 4.261 20 30 HIEDMM Cc1c(=O)[n-]c(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc1-c1ccccc1 ZINC000467210116 880939722 /nfs/dbraw/zinc/93/97/22/880939722.db2.gz ADTLJBCNFLAZHG-IBGZPJMESA-N -1 1 416.506 4.317 20 30 HIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000473761220 888555023 /nfs/dbraw/zinc/55/50/23/888555023.db2.gz MCAPOYTYJJYFLL-UHFFFAOYSA-N -1 1 407.557 4.133 20 30 HIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000473768178 888565443 /nfs/dbraw/zinc/56/54/43/888565443.db2.gz WMXMMHIKEFGXCG-UHFFFAOYSA-N -1 1 410.539 4.175 20 30 HIEDMM COc1cccc(COc2cccc([N-]S(=O)(=O)c3ccccc3CC#N)c2C)c1 ZINC000475808233 890742673 /nfs/dbraw/zinc/74/26/73/890742673.db2.gz FVJUJZLLVNBJBZ-UHFFFAOYSA-N -1 1 422.506 4.450 20 30 HIEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1Br ZINC000476312870 891222360 /nfs/dbraw/zinc/22/23/60/891222360.db2.gz CKQNBCKALBCBEH-UHFFFAOYSA-N -1 1 415.696 4.174 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CCC#N)CCC(C)C)c2)cc1 ZINC000505207066 913882963 /nfs/dbraw/zinc/88/29/63/913882963.db2.gz KCIAKRQMHUEZMU-UHFFFAOYSA-N -1 1 413.543 4.198 20 30 HIEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccc(OC(F)(F)F)cc3)nc(=O)c2c1C ZINC000505473311 914146337 /nfs/dbraw/zinc/14/63/37/914146337.db2.gz HZSOBSMEHLZSIL-GFCCVEGCSA-N -1 1 422.388 4.158 20 30 HIEDMM N#C[C@@H](C(=O)c1ccnn1C1CCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000483444607 899079604 /nfs/dbraw/zinc/07/96/04/899079604.db2.gz WCIHHBZTOOECKJ-AWEZNQCLSA-N -1 1 407.499 4.077 20 30 HIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)n1 ZINC000483844016 899524275 /nfs/dbraw/zinc/52/42/75/899524275.db2.gz XUTRZDUOKZRECF-NSHDSACASA-N -1 1 408.405 4.374 20 30 HIEDMM N#Cc1ccc(SCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000484669257 900112111 /nfs/dbraw/zinc/11/21/11/900112111.db2.gz NDXGXNRXIPCQDW-UHFFFAOYSA-N -1 1 423.519 4.090 20 30 HIEDMM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000486348751 901520089 /nfs/dbraw/zinc/52/00/89/901520089.db2.gz XWDFHVHAKXMEJS-RTBURBONSA-N -1 1 420.918 4.061 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)o1 ZINC000490423297 904000896 /nfs/dbraw/zinc/00/08/96/904000896.db2.gz OEDUHGOCLPIDNY-LJQANCHMSA-N -1 1 416.886 4.041 20 30 HIEDMM O=C([N-]c1ccc(F)c(F)c1F)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000498279311 907814155 /nfs/dbraw/zinc/81/41/55/907814155.db2.gz YVVVSFGYQQBUCH-UHFFFAOYSA-N -1 1 404.245 4.095 20 30 HIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)cc1 ZINC000513388340 921759852 /nfs/dbraw/zinc/75/98/52/921759852.db2.gz DHPDQMMOCIZCDT-UHFFFAOYSA-N -1 1 403.463 4.118 20 30 HIEDMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000513428046 921798272 /nfs/dbraw/zinc/79/82/72/921798272.db2.gz ZRLNAZQDOUHTHV-UHFFFAOYSA-N -1 1 402.516 4.001 20 30 HIEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@H](C)CC#N)c1 ZINC000512076917 920842041 /nfs/dbraw/zinc/84/20/41/920842041.db2.gz NLHMYHSPGKOJCT-MRXNPFEDSA-N -1 1 413.543 4.125 20 30 HIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000513692186 922014357 /nfs/dbraw/zinc/01/43/57/922014357.db2.gz KHAKGIMMUGOLEN-OAHLLOKOSA-N -1 1 417.419 4.016 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)cc1Cl ZINC000515631935 923232484 /nfs/dbraw/zinc/23/24/84/923232484.db2.gz GGJLBNACIZWNJT-UHFFFAOYSA-N -1 1 402.859 4.322 20 30 HIEDMM N#Cc1c2c(sc1NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1)CCCCC2 ZINC000515921612 923437511 /nfs/dbraw/zinc/43/75/11/923437511.db2.gz HBABNLYTLGWDMO-UHFFFAOYSA-N -1 1 410.471 4.053 20 30 HIEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C[C@H](C)C#N)c2)cc1 ZINC000516845040 923917816 /nfs/dbraw/zinc/91/78/16/923917816.db2.gz XOLYNBTZRXFHKY-QGZVFWFLSA-N -1 1 413.543 4.062 20 30 HIEDMM Cc1cc(C)n2nc(C(=O)[N-]c3cc(C(F)(F)F)ccc3SCCC#N)nc2n1 ZINC000517462007 924206547 /nfs/dbraw/zinc/20/65/47/924206547.db2.gz YEAHPVPHYCPDCK-UHFFFAOYSA-N -1 1 420.420 4.018 20 30 HIEDMM CSc1nc(C)c(CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(=O)[n-]1 ZINC000519515604 928005277 /nfs/dbraw/zinc/00/52/77/928005277.db2.gz NKLRXODVRMXZGB-LBPRGKRZSA-N -1 1 402.545 4.178 20 30 HIEDMM C=CCCO[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000520019131 928244462 /nfs/dbraw/zinc/24/44/62/928244462.db2.gz PWTIDCDOYGAANS-OAHLLOKOSA-N -1 1 422.934 4.369 20 30 HIEDMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](C)C#N)ccc2C)cc1 ZINC000521142792 929020568 /nfs/dbraw/zinc/02/05/68/929020568.db2.gz NRGJRJROWGJDIB-MRXNPFEDSA-N -1 1 413.543 4.028 20 30 HIEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)cc1[N+](=O)[O-] ZINC000521527087 929275988 /nfs/dbraw/zinc/27/59/88/929275988.db2.gz AVSXDQBIRRTENG-UHFFFAOYSA-N -1 1 409.423 4.368 20 30 HIEDMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C(F)(F)F)c1 ZINC000524630183 929739532 /nfs/dbraw/zinc/73/95/32/929739532.db2.gz DYBKVRBUVQDXAS-UHFFFAOYSA-N -1 1 403.813 4.097 20 30 HIEDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1-c1ccccc1 ZINC000535393990 933112057 /nfs/dbraw/zinc/11/20/57/933112057.db2.gz FPEGWTUOPZPJHK-UHFFFAOYSA-N -1 1 406.389 4.076 20 30 HIEDMM Cc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nn1[C@H](C)C1CC1 ZINC000539646186 938893001 /nfs/dbraw/zinc/89/30/01/938893001.db2.gz YZXRVDIVKWVDCC-DOMZBBRYSA-N -1 1 421.526 4.242 20 30 HIEDMM Cc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nn1[C@@H](C)C1CC1 ZINC000539646188 938893060 /nfs/dbraw/zinc/89/30/60/938893060.db2.gz YZXRVDIVKWVDCC-SWLSCSKDSA-N -1 1 421.526 4.242 20 30 HIEDMM N#CC1(c2ccc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)cc2)CC1 ZINC000539687074 938901393 /nfs/dbraw/zinc/90/13/93/938901393.db2.gz PSPYWNWWMGKOBO-UHFFFAOYSA-N -1 1 417.490 4.295 20 30 HIEDMM N#CC1(c2ccc(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2)CC1 ZINC000540783766 939371068 /nfs/dbraw/zinc/37/10/68/939371068.db2.gz BRPHBRFFFUDSKB-UHFFFAOYSA-N -1 1 417.490 4.295 20 30 HIEDMM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000544094307 940324772 /nfs/dbraw/zinc/32/47/72/940324772.db2.gz WONWSVWATLFSJA-UHFFFAOYSA-N -1 1 414.874 4.248 20 30 HIEDMM N#CC(=C([O-])c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)c1ccncn1 ZINC000544816017 940517046 /nfs/dbraw/zinc/51/70/46/940517046.db2.gz QGMYQXSDQROCOS-QGZVFWFLSA-N -1 1 401.813 4.337 20 30 HIEDMM CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000545515878 940572793 /nfs/dbraw/zinc/57/27/93/940572793.db2.gz OHZJZYSNYMCTHH-UHFFFAOYSA-N -1 1 420.494 4.023 20 30 HIEDMM Cn1cc(Oc2ccccc2C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000549416643 941187759 /nfs/dbraw/zinc/18/77/59/941187759.db2.gz VZMBDQJBRWHFOV-HNNXBMFYSA-N -1 1 407.380 4.447 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)ccc1Cl ZINC000549722699 941205698 /nfs/dbraw/zinc/20/56/98/941205698.db2.gz CBXBOHGYCWFTGK-UHFFFAOYSA-N -1 1 410.789 4.000 20 30 HIEDMM N#C[C@H](C(=O)c1csc(C(F)(F)F)n1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000551508098 941491716 /nfs/dbraw/zinc/49/17/16/941491716.db2.gz DCKZKTCNUULACZ-MRVPVSSYSA-N -1 1 424.429 4.241 20 30 HIEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2nc(C(F)F)cc(=O)[n-]2)c1C#N ZINC000570975979 947406778 /nfs/dbraw/zinc/40/67/78/947406778.db2.gz WGFCTWJFHSUNOO-UHFFFAOYSA-N -1 1 421.473 4.256 20 30 HIEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000571247714 947567405 /nfs/dbraw/zinc/56/74/05/947567405.db2.gz AIIMPSPQLJYIPP-CYBMUJFWSA-N -1 1 406.458 4.164 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)o1 ZINC000574661231 948498423 /nfs/dbraw/zinc/49/84/23/948498423.db2.gz LMMUMKVQSVOWIP-OAHLLOKOSA-N -1 1 404.797 4.253 20 30 HIEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)c1 ZINC000008125762 845479627 /nfs/dbraw/zinc/47/96/27/845479627.db2.gz NQHBTDBEZVSEJJ-UHFFFAOYSA-N -1 1 419.506 4.423 20 30 HIEDMM N#Cc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009904889 845603941 /nfs/dbraw/zinc/60/39/41/845603941.db2.gz KYMWDLKTDDVLKH-XNTDXEJSSA-N -1 1 403.463 4.011 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C#N)c3)c2)c1 ZINC000015739043 846087975 /nfs/dbraw/zinc/08/79/75/846087975.db2.gz LNFHHGUUYOGODZ-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM C#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000022409029 846567572 /nfs/dbraw/zinc/56/75/72/846567572.db2.gz QKWAWJOFLPRKBK-UHFFFAOYSA-N -1 1 404.491 4.338 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)n[n-]c1=S ZINC000026090900 847081560 /nfs/dbraw/zinc/08/15/60/847081560.db2.gz DVIYMTZSQULATO-UHFFFAOYSA-N -1 1 424.555 4.227 20 30 HIEDMM COc1ccc(-c2nc(C(=O)[N-]c3nnc(C(F)(F)F)s3)cs2)cc1OC ZINC000031565241 847908345 /nfs/dbraw/zinc/90/83/45/847908345.db2.gz UBWYKYBIQGQKMU-UHFFFAOYSA-N -1 1 416.406 4.334 20 30 HIEDMM CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-])C1(C#N)CCC1 ZINC000436551488 861847716 /nfs/dbraw/zinc/84/77/16/861847716.db2.gz ZQTQBOWRDVGWQG-UHFFFAOYSA-N -1 1 418.280 4.470 20 30 HIEDMM C=C(C)CN(CC)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436742716 861926199 /nfs/dbraw/zinc/92/61/99/861926199.db2.gz XGAWJBNQQBWSRT-UHFFFAOYSA-N -1 1 417.303 4.445 20 30 HIEDMM CCCc1nc(C)c(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000048818027 849271647 /nfs/dbraw/zinc/27/16/47/849271647.db2.gz JECVZTFUSLPIEA-LBPRGKRZSA-N -1 1 412.540 4.071 20 30 HIEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 ZINC000055287087 849996347 /nfs/dbraw/zinc/99/63/47/849996347.db2.gz HHYJKUJJVHCNHW-UHFFFAOYSA-N -1 1 415.449 4.248 20 30 HIEDMM C=CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000060014540 851030660 /nfs/dbraw/zinc/03/06/60/851030660.db2.gz XZYWVLRHWUMGEQ-UHFFFAOYSA-N -1 1 408.479 4.305 20 30 HIEDMM CC(C)Cc1nc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cs1 ZINC000064100329 851828011 /nfs/dbraw/zinc/82/80/11/851828011.db2.gz NEPSLHWHQMJFNH-GFCCVEGCSA-N -1 1 412.540 4.008 20 30 HIEDMM C#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1)C1CCCCC1 ZINC000116069467 853281183 /nfs/dbraw/zinc/28/11/83/853281183.db2.gz IUSYJINXEKZAFU-UHFFFAOYSA-N -1 1 410.539 4.204 20 30 HIEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2Cl)s1 ZINC000140358838 853442920 /nfs/dbraw/zinc/44/29/20/853442920.db2.gz LSLLJALUOLRVTK-CYBMUJFWSA-N -1 1 411.870 4.433 20 30 HIEDMM C=CCn1c(Cc2csc(NC(=O)C[C@@H]3CCc4ccccc43)n2)n[n-]c1=S ZINC000261461502 854270867 /nfs/dbraw/zinc/27/08/67/854270867.db2.gz TVNSMODZXDCLKO-AWEZNQCLSA-N -1 1 411.556 4.233 20 30 HIEDMM N#C[C@H](C(=O)c1ccc(Br)o1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000301757927 854460315 /nfs/dbraw/zinc/46/03/15/854460315.db2.gz DJDHHZJEISGBLS-SECBINFHSA-N -1 1 418.272 4.121 20 30 HIEDMM Cc1cc(C)c(OCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)c1 ZINC000301767161 854461814 /nfs/dbraw/zinc/46/18/14/854461814.db2.gz WVKOWQCSROYYOF-MRXNPFEDSA-N -1 1 421.522 4.456 20 30 HIEDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(Oc3ccc(C#N)cc3)c2)s1 ZINC000302063849 854525315 /nfs/dbraw/zinc/52/53/15/854525315.db2.gz AJUIVOHZHWMOGY-UHFFFAOYSA-N -1 1 415.452 4.467 20 30 HIEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(F)c3C#N)ccc2C)c1 ZINC000426595149 856365295 /nfs/dbraw/zinc/36/52/95/856365295.db2.gz IGIUCDDFALOURT-UHFFFAOYSA-N -1 1 423.469 4.367 20 30 HIEDMM CCc1nc(CNCc2cccc(OCc3ccccc3C#N)c2)ccc1C(=O)[O-] ZINC000426670309 856405133 /nfs/dbraw/zinc/40/51/33/856405133.db2.gz RFRRSMVSYXAVAE-UHFFFAOYSA-N -1 1 401.466 4.083 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1F ZINC000427139671 856665193 /nfs/dbraw/zinc/66/51/93/856665193.db2.gz IZGFKWVNQTWCDY-UHFFFAOYSA-N -1 1 419.453 4.156 20 30 HIEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cccc1-c1ncco1 ZINC000427350679 856786673 /nfs/dbraw/zinc/78/66/73/856786673.db2.gz VCGOLCLJULZQJH-UHFFFAOYSA-N -1 1 407.373 4.341 20 30 HIEDMM Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000427492817 856840270 /nfs/dbraw/zinc/84/02/70/856840270.db2.gz NFNMKRIIHOATNZ-GOSISDBHSA-N -1 1 419.934 4.117 20 30 HIEDMM N#Cc1cc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)ccc1F ZINC000430550644 858214414 /nfs/dbraw/zinc/21/44/14/858214414.db2.gz KKDYTVKUGBFADK-UHFFFAOYSA-N -1 1 420.625 4.207 20 30 HIEDMM CCC(CC)n1nccc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000431255639 858534561 /nfs/dbraw/zinc/53/45/61/858534561.db2.gz CDFZPMSJRKIXJI-CQSZACIVSA-N -1 1 409.515 4.323 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)cc1Br ZINC000432780956 859357077 /nfs/dbraw/zinc/35/70/77/859357077.db2.gz PGZPYXNMKCEISD-UHFFFAOYSA-N -1 1 419.300 4.104 20 30 HIEDMM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000433219531 859573659 /nfs/dbraw/zinc/57/36/59/859573659.db2.gz IHENVVDTVQQQAC-LJQANCHMSA-N -1 1 419.506 4.198 20 30 HIEDMM CC1(C)COc2c1cccc2C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000434619339 860432887 /nfs/dbraw/zinc/43/28/87/860432887.db2.gz RHDIPJSKHCYHDQ-CQSZACIVSA-N -1 1 419.506 4.436 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3)ccc2C)ccc1C#N ZINC000435747966 861028056 /nfs/dbraw/zinc/02/80/56/861028056.db2.gz LVCJCSODFJTDAN-UHFFFAOYSA-N -1 1 405.479 4.228 20 30 HIEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000438805313 864296203 /nfs/dbraw/zinc/29/62/03/864296203.db2.gz KXCJPAMZDVLVII-UHFFFAOYSA-N -1 1 409.442 4.059 20 30 HIEDMM N#CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000439668275 864999649 /nfs/dbraw/zinc/99/96/49/864999649.db2.gz CHAURJRVJXYJTI-JOCHJYFZSA-N -1 1 419.506 4.262 20 30 HIEDMM COc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc(Cl)c1[O-] ZINC000442716049 867644777 /nfs/dbraw/zinc/64/47/77/867644777.db2.gz BAYVRUCOXVCFEU-UHFFFAOYSA-N -1 1 421.840 4.430 20 30 HIEDMM Cc1cccc2nc(C(C#N)=C([O-])c3nc(C(C)C)n(-c4ccccc4F)n3)[nH]c21 ZINC000442739576 867658086 /nfs/dbraw/zinc/65/80/86/867658086.db2.gz QJQLYRUDMFNWQZ-CQSZACIVSA-N -1 1 402.433 4.205 20 30 HIEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000442852968 867698368 /nfs/dbraw/zinc/69/83/68/867698368.db2.gz GZJJXCMDSBLXMF-OAHLLOKOSA-N -1 1 400.438 4.399 20 30 HIEDMM CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442896132 867725393 /nfs/dbraw/zinc/72/53/93/867725393.db2.gz GRWFJQCJNLJKLG-UHFFFAOYSA-N -1 1 408.461 4.389 20 30 HIEDMM N#Cc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cc1[O-] ZINC000442942677 867756314 /nfs/dbraw/zinc/75/63/14/867756314.db2.gz QIJMMLRTFTUWJL-UHFFFAOYSA-N -1 1 414.248 4.033 20 30 HIEDMM N#Cc1ccc(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1[O-] ZINC000443046646 867802155 /nfs/dbraw/zinc/80/21/55/867802155.db2.gz KVRXBYIBUHWVKC-UHFFFAOYSA-N -1 1 405.281 4.392 20 30 HIEDMM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nc(C(F)(F)F)cs1 ZINC000443319263 867902500 /nfs/dbraw/zinc/90/25/00/867902500.db2.gz LJIAUKCLLFDKRL-JTQLQIEISA-N -1 1 409.842 4.117 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)ccc1C(F)(F)F ZINC000443408115 867990551 /nfs/dbraw/zinc/99/05/51/867990551.db2.gz SBZZHEPRKIUCQA-UHFFFAOYSA-N -1 1 423.338 4.352 20 30 HIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)ccc1C(F)(F)F ZINC000443410748 867993268 /nfs/dbraw/zinc/99/32/68/867993268.db2.gz BCJCMBJPXBKDOD-UHFFFAOYSA-N -1 1 407.373 4.396 20 30 HIEDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468363141 882303514 /nfs/dbraw/zinc/30/35/14/882303514.db2.gz CSKXDKKMPYIWPK-UHFFFAOYSA-N -1 1 417.918 4.032 20 30 HIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cn3cnc4ccccc43)cc2)ccc1C#N ZINC000446823423 870739815 /nfs/dbraw/zinc/73/98/15/870739815.db2.gz MHAOKSHUQMFZSK-UHFFFAOYSA-N -1 1 402.479 4.066 20 30 HIEDMM COCCOCc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000464181057 877351389 /nfs/dbraw/zinc/35/13/89/877351389.db2.gz DBWKMQBYABQTFK-FQEVSTJZSA-N -1 1 422.506 4.472 20 30 HIEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000464411181 877616317 /nfs/dbraw/zinc/61/63/17/877616317.db2.gz LJQHLUQLMFSDTA-UHFFFAOYSA-N -1 1 423.281 4.065 20 30 HIEDMM Cc1c(=O)[n-]c(SCC(=O)N(CCC#N)c2ccccc2)nc1-c1ccccc1 ZINC000467202619 880932868 /nfs/dbraw/zinc/93/28/68/880932868.db2.gz SPSNYQTUPAVWBJ-UHFFFAOYSA-N -1 1 404.495 4.197 20 30 HIEDMM Cc1c(=O)[n-]c(SCc2nnc(-c3ccc(C#N)cc3)o2)nc1-c1ccccc1 ZINC000467215865 880945987 /nfs/dbraw/zinc/94/59/87/880945987.db2.gz UXTOSTRYXGTEJU-UHFFFAOYSA-N -1 1 401.451 4.372 20 30 HIEDMM Cc1cc(N(CCC#N)C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)ccc1Cl ZINC000470451981 884847810 /nfs/dbraw/zinc/84/78/10/884847810.db2.gz ANCOSUPFQNGDHM-UHFFFAOYSA-N -1 1 402.907 4.060 20 30 HIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000473761186 888554921 /nfs/dbraw/zinc/55/49/21/888554921.db2.gz LODXZJBWSNWTCH-UHFFFAOYSA-N -1 1 421.584 4.360 20 30 HIEDMM Cc1nc(CC2CC2)sc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000475029011 889881482 /nfs/dbraw/zinc/88/14/82/889881482.db2.gz HSMGITJQVBDIDK-CYBMUJFWSA-N -1 1 424.551 4.483 20 30 HIEDMM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475802884 890738209 /nfs/dbraw/zinc/73/82/09/890738209.db2.gz FZKADIONRFZTBQ-UHFFFAOYSA-N -1 1 405.479 4.114 20 30 HIEDMM CC(C)(C)CN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000477776964 892860813 /nfs/dbraw/zinc/86/08/13/892860813.db2.gz LUNUCRAXURITJG-UHFFFAOYSA-N -1 1 417.506 4.028 20 30 HIEDMM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1cccc(Br)c1 ZINC000479305028 894591804 /nfs/dbraw/zinc/59/18/04/894591804.db2.gz GHFLIJINRYZTSP-UHFFFAOYSA-N -1 1 413.296 4.045 20 30 HIEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000479490752 894811997 /nfs/dbraw/zinc/81/19/97/894811997.db2.gz OABOCQDAMIKDQZ-SIFCLUCFSA-N -1 1 406.573 4.075 20 30 HIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C(=O)N(C)C)cc3)n2)cc1 ZINC000481828158 897198392 /nfs/dbraw/zinc/19/83/92/897198392.db2.gz BPPRBSMUQMQTBP-GOSISDBHSA-N -1 1 405.479 4.011 20 30 HIEDMM N#CC(=C([O-])c1cccc(N2CCCNC2=O)c1)c1nc(-c2ccccc2)cs1 ZINC000484544829 900026869 /nfs/dbraw/zinc/02/68/69/900026869.db2.gz LVSOVFDRVJJPNH-GOSISDBHSA-N -1 1 402.479 4.220 20 30 HIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c(Cl)c1 ZINC000486567021 901712791 /nfs/dbraw/zinc/71/27/91/901712791.db2.gz VXHVHFJOVMXXLX-UHFFFAOYSA-N -1 1 407.623 4.053 20 30 HIEDMM O=S(=O)([N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000486645209 901771794 /nfs/dbraw/zinc/77/17/94/901771794.db2.gz OWRMSBBMUIILJF-ZDUSSCGKSA-N -1 1 417.302 4.148 20 30 HIEDMM N#CC(=C([O-])c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc2ccccc2n1C(F)F ZINC000496592151 906716515 /nfs/dbraw/zinc/71/65/15/906716515.db2.gz KZCBAAUOLCNDKF-LLVKDONJSA-N -1 1 422.294 4.431 20 30 HIEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000512757882 921302606 /nfs/dbraw/zinc/30/26/06/921302606.db2.gz SRCNIEXODWQMOP-UHFFFAOYSA-N -1 1 407.623 4.053 20 30 HIEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000512809815 921316552 /nfs/dbraw/zinc/31/65/52/921316552.db2.gz WINFZFYFDAMFGV-UHFFFAOYSA-N -1 1 409.423 4.368 20 30 HIEDMM N#Cc1ccc(Cl)c(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000506465113 915063604 /nfs/dbraw/zinc/06/36/04/915063604.db2.gz FRZHZSBBEOEZPN-UHFFFAOYSA-N -1 1 411.870 4.265 20 30 HIEDMM CC[C@](C)(C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000507139161 915886137 /nfs/dbraw/zinc/88/61/37/915886137.db2.gz AJYPEPYTHNOSNQ-GOSISDBHSA-N -1 1 409.870 4.158 20 30 HIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)c(Br)cc2C)n1 ZINC000509854810 918458553 /nfs/dbraw/zinc/45/85/53/918458553.db2.gz PRVCTEVLLKEUOS-LBPRGKRZSA-N -1 1 407.289 4.189 20 30 HIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000511728056 920394830 /nfs/dbraw/zinc/39/48/30/920394830.db2.gz UQXBJMAEGDZAMU-UHFFFAOYSA-N -1 1 404.919 4.263 20 30 HIEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 ZINC000511735369 920403670 /nfs/dbraw/zinc/40/36/70/920403670.db2.gz CDHGQMRMUJSQAS-UHFFFAOYSA-N -1 1 422.462 4.246 20 30 HIEDMM N#Cc1cccc(COc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)c2)c1 ZINC000518460367 927290687 /nfs/dbraw/zinc/29/06/87/927290687.db2.gz DRCBNVWIOBIUEK-UHFFFAOYSA-N -1 1 404.491 4.427 20 30 HIEDMM CCN(CC#N)C(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000521603089 929323713 /nfs/dbraw/zinc/32/37/13/929323713.db2.gz SLQYFPJPNJQWNZ-UHFFFAOYSA-N -1 1 413.543 4.015 20 30 HIEDMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000521800559 929460377 /nfs/dbraw/zinc/46/03/77/929460377.db2.gz MARDHEPVPAOOLZ-NSHDSACASA-N -1 1 408.476 4.027 20 30 HIEDMM COc1ccccc1-c1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000524628164 929737903 /nfs/dbraw/zinc/73/79/03/929737903.db2.gz PDBTUZXGKSNTKN-CQSZACIVSA-N -1 1 421.407 4.331 20 30 HIEDMM Cc1nnc(Sc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c(C)c2)s1 ZINC000524852431 929858639 /nfs/dbraw/zinc/85/86/39/929858639.db2.gz WKPBLWSLRYFHKB-UHFFFAOYSA-N -1 1 416.553 4.287 20 30 HIEDMM C=CCCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000539441788 938861001 /nfs/dbraw/zinc/86/10/01/938861001.db2.gz ZSAZNUCKACLSRI-AWEZNQCLSA-N -1 1 408.470 4.240 20 30 HIEDMM C=CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C1CC1 ZINC000540135059 939086247 /nfs/dbraw/zinc/08/62/47/939086247.db2.gz UPFPCPNYIAPVAS-UHFFFAOYSA-N -1 1 424.444 4.297 20 30 HIEDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542062630 939701752 /nfs/dbraw/zinc/70/17/52/939701752.db2.gz YLHRPUVIWLNKLB-ZDUSSCGKSA-N -1 1 404.495 4.242 20 30 HIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000542235051 939769802 /nfs/dbraw/zinc/76/98/02/939769802.db2.gz XEYXVRJJYGWBAM-UHFFFAOYSA-N -1 1 414.462 4.116 20 30 HIEDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1-c1ccccc1 ZINC000548770752 941123211 /nfs/dbraw/zinc/12/32/11/941123211.db2.gz ABOYCHBRHGWQPN-UHFFFAOYSA-N -1 1 406.389 4.076 20 30 HIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(C)(C)CCC#N)cc2)cc1C ZINC000561731664 944768308 /nfs/dbraw/zinc/76/83/08/944768308.db2.gz RWHPFLWXAQFLDO-UHFFFAOYSA-N -1 1 413.543 4.164 20 30 HIEDMM N#CC(=C([O-])c1cccc(-c2nc[nH]n2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000569948219 947049460 /nfs/dbraw/zinc/04/94/60/947049460.db2.gz KIVZYAXMPIKSGI-ZDUSSCGKSA-N -1 1 407.405 4.363 20 30 HIEDMM N#C[C@H](C(=O)c1cncc(C(F)(F)F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000570317179 947199372 /nfs/dbraw/zinc/19/93/72/947199372.db2.gz ZYCKEBLMXJXWOG-GFCCVEGCSA-N -1 1 418.400 4.180 20 30 HIEDMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c2)n1 ZINC000572804953 948015622 /nfs/dbraw/zinc/01/56/22/948015622.db2.gz ZUSLAFWWIAYYTD-UHFFFAOYSA-N -1 1 422.388 4.045 20 30 HIEDMM