smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@H](NC(=O)N[C@@]1(C(=O)[O-])CCSC1)c1ccccc1 ZINC000929045389 939801836 /nfs/dbraw/zinc/80/18/36/939801836.db2.gz QSAQMOICLKGHRB-YOEHRIQHSA-N -1 0 334.441 2.953 10 30 EFEERM Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@H]1CCN(O)C1=O ZINC001569564251 1085380358 /nfs/dbraw/zinc/38/03/58/1085380358.db2.gz SHUMJPHZCRPFAT-INIZCTEOSA-N -1 0 326.352 2.507 10 30 EFEERM N#Cc1nc(NC(=O)c2cc3c(ccnc3Cl)s2)[n-]c1C#N ZINC001570861128 1086574000 /nfs/dbraw/zinc/57/40/00/1086574000.db2.gz NYEBKGHSWGIQSE-UHFFFAOYSA-N -1 0 328.744 2.668 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)CCc1nc2ccccc2s1)C(=O)[O-] ZINC001647327615 1089260705 /nfs/dbraw/zinc/26/07/05/1089260705.db2.gz LZRGOLRLSFUXIC-LLVKDONJSA-N -1 0 338.816 2.941 10 30 EFEERM COc1ccc2cc(NC(=O)c3[n-]c(=O)c(C#N)cc3C)ccc2n1 ZINC001584585856 1092211179 /nfs/dbraw/zinc/21/11/79/1092211179.db2.gz QRERAIDTZWYYFW-UHFFFAOYSA-N -1 0 334.335 2.776 10 30 EFEERM C=C[C@H](C(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1ccccc1 ZINC001648700068 1092255278 /nfs/dbraw/zinc/25/52/78/1092255278.db2.gz NVOWGHMOYXQKNT-DLBZAZTESA-N -1 0 348.406 2.880 10 30 EFEERM N#CC(=C([O-])c1ccn(CCC(F)(F)F)n1)c1ncc(F)cc1F ZINC001649268206 1092285098 /nfs/dbraw/zinc/28/50/98/1092285098.db2.gz GDRRCHSWACISSY-SECBINFHSA-N -1 0 344.243 2.999 10 30 EFEERM C=C/C=C/CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CC=C)c2=O ZINC001593677111 1094407217 /nfs/dbraw/zinc/40/72/17/1094407217.db2.gz PIHHMUKFZOBLMO-AATRIKPKSA-N -1 0 341.436 2.733 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc2nc(N(C)C)ccc2c1 ZINC001597762834 1094620530 /nfs/dbraw/zinc/62/05/30/1094620530.db2.gz NNKSCDJYDOTQBK-UHFFFAOYSA-N -1 0 347.378 2.834 10 30 EFEERM C[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])n1cc(Br)cn1 ZINC001598127901 1094658406 /nfs/dbraw/zinc/65/84/06/1094658406.db2.gz ANVFJRMQUFVUNV-VIFPVBQESA-N -1 0 349.188 2.813 10 30 EFEERM CC(C)(Oc1ccc(C#N)cc1)C(=O)[N-]OCCOc1ccccc1 ZINC001607205162 1097560405 /nfs/dbraw/zinc/56/04/05/1097560405.db2.gz OCESAPVXXPHAKC-UHFFFAOYSA-N -1 0 340.379 2.842 10 30 EFEERM C#CCCNC(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1 ZINC001610453158 1098686478 /nfs/dbraw/zinc/68/64/78/1098686478.db2.gz QMFRJERLJCYFRH-UHFFFAOYSA-N -1 0 345.402 2.775 10 30 EFEERM C=CCC1(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCC1 ZINC001211843458 1098791979 /nfs/dbraw/zinc/79/19/79/1098791979.db2.gz PILFKKSWFQNRLN-UHFFFAOYSA-N -1 0 340.401 2.715 10 30 EFEERM Cc1ccc(C#N)cc1C(=O)Nc1nc(Br)ccc1[O-] ZINC001616739663 1099190562 /nfs/dbraw/zinc/19/05/62/1099190562.db2.gz BQORKOFHEJFFKN-UHFFFAOYSA-N -1 0 332.157 2.982 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cc(F)c(Cl)cc1F ZINC001618778572 1099318122 /nfs/dbraw/zinc/31/81/22/1099318122.db2.gz AAJZTIJDPKYCME-UHFFFAOYSA-N -1 0 337.713 2.829 10 30 EFEERM Cc1ccc([C@@H](C)NC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1[N+](=O)[O-] ZINC001620550072 1099359864 /nfs/dbraw/zinc/35/98/64/1099359864.db2.gz CGIUOQHENKKIJX-LLVKDONJSA-N -1 0 340.339 2.675 10 30 EFEERM C=CCCC[C@@H](C)[N-]S(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F ZINC001621960525 1099464495 /nfs/dbraw/zinc/46/44/95/1099464495.db2.gz FTMYLBDUHYCCMM-GHMZBOCLSA-N -1 0 345.383 2.535 10 30 EFEERM C#Cc1ccc(CNC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])cc1 ZINC001624429557 1099691336 /nfs/dbraw/zinc/69/13/36/1099691336.db2.gz XJGTVLAOOGSVPI-UHFFFAOYSA-N -1 0 349.365 2.937 10 30 EFEERM C=CCON=C([O-])Nc1nc(Sc2ccc(OC)cc2)ns1 ZINC001625338324 1099796306 /nfs/dbraw/zinc/79/63/06/1099796306.db2.gz LXRXIRUBGWLGPJ-UHFFFAOYSA-N -1 0 338.414 2.937 10 30 EFEERM Cc1ccc(CSCCNC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1 ZINC001628709045 1100125910 /nfs/dbraw/zinc/12/59/10/1100125910.db2.gz VCIXZTXNNRHQON-UHFFFAOYSA-N -1 0 341.436 2.939 10 30 EFEERM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001631873832 1100436095 /nfs/dbraw/zinc/43/60/95/1100436095.db2.gz GJMLIVZQSIFADL-GDBMZVCRSA-N -1 0 332.400 2.800 10 30 EFEERM N#CCCCOc1cccnc1NC(=O)c1s[n-]c(=O)c1Cl ZINC001632088726 1100452562 /nfs/dbraw/zinc/45/25/62/1100452562.db2.gz YPSIMCHBSGIWTQ-UHFFFAOYSA-N -1 0 338.776 2.832 10 30 EFEERM CC(C)(NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(C#N)c1 ZINC001632736110 1100497461 /nfs/dbraw/zinc/49/74/61/1100497461.db2.gz KYOFLLLYFLYWAT-UHFFFAOYSA-N -1 0 325.324 2.837 10 30 EFEERM C[C@@H]1CC(=O)Nc2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cc2N1 ZINC001633076865 1100521606 /nfs/dbraw/zinc/52/16/06/1100521606.db2.gz JGDHZHPVDXIKAQ-SNVBAGLBSA-N -1 0 336.351 2.659 10 30 EFEERM N#C[C@@]1(NC(=O)c2s[n-]c(=O)c2Cl)CCc2ccccc2C1 ZINC001633212511 1100529686 /nfs/dbraw/zinc/52/96/86/1100529686.db2.gz CNQSEMRJTBOWIM-OAHLLOKOSA-N -1 0 333.800 2.683 10 30 EFEERM Cc1ccc(C(=O)/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001633349576 1100537723 /nfs/dbraw/zinc/53/77/23/1100537723.db2.gz LRVXDSXRZBXSBC-CMDGGOBGSA-N -1 0 326.308 2.986 10 30 EFEERM N#Cc1ccc(N2CCC[C@H]2C(=O)[N-]Oc2ccccc2F)cc1 ZINC001633925531 1100574666 /nfs/dbraw/zinc/57/46/66/1100574666.db2.gz VBCALMDCCULPHG-INIZCTEOSA-N -1 0 325.343 2.776 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1nc2ccc(Cl)nc2s1 ZINC001634372589 1100604931 /nfs/dbraw/zinc/60/49/31/1100604931.db2.gz LZMVUQYAZFZTQH-UHFFFAOYSA-N -1 0 345.771 2.878 10 30 EFEERM CC(=O)c1cc(F)c([O-])c(NC(=O)Cc2ccc(OCC#N)cc2)c1 ZINC001635382767 1100658524 /nfs/dbraw/zinc/65/85/24/1100658524.db2.gz FBSRPCKVAVZPCD-UHFFFAOYSA-N -1 0 342.326 2.817 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1nc2ccccc2n1C1CC1 ZINC001636525480 1100724395 /nfs/dbraw/zinc/72/43/95/1100724395.db2.gz BROUSNUYAAQMAV-UHFFFAOYSA-N -1 0 333.351 2.904 10 30 EFEERM N#Cc1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001637129651 1100759732 /nfs/dbraw/zinc/75/97/32/1100759732.db2.gz FFEMTPHFOHYPCP-UHFFFAOYSA-N -1 0 336.178 2.825 10 30 EFEERM N#Cc1ccc([O-])c(NC(=O)[C@H](O)c2cccc(Br)c2)c1 ZINC001637620665 1100794592 /nfs/dbraw/zinc/79/45/92/1100794592.db2.gz VVJRLPUGXHHRJF-CQSZACIVSA-N -1 0 347.168 2.698 10 30 EFEERM O=C(N[C@H]1CCCN(O)C1=O)c1cccc(Nc2ccccc2)c1 ZINC001637667892 1100797616 /nfs/dbraw/zinc/79/76/16/1100797616.db2.gz NVKZDUQFOMFKBL-INIZCTEOSA-N -1 0 325.368 2.540 10 30 EFEERM N#Cc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1F ZINC001638048054 1100828267 /nfs/dbraw/zinc/82/82/67/1100828267.db2.gz FDUOHHIERCDNGO-UHFFFAOYSA-N -1 0 349.705 2.895 10 30 EFEERM O=C(Nc1ccc(Br)c(O)c1)c1cccc(C#CCO)c1 ZINC001638628157 1100874517 /nfs/dbraw/zinc/87/45/17/1100874517.db2.gz KXKWTWRXHORQCI-UHFFFAOYSA-N -1 0 346.180 2.751 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cnccc1Nc1ccccc1 ZINC001639595623 1100965081 /nfs/dbraw/zinc/96/50/81/1100965081.db2.gz ABVZCHGNDYWHIA-UHFFFAOYSA-N -1 0 345.362 2.780 10 30 EFEERM N#Cc1nc(NC(=O)/C(=C\c2ccccc2)C(F)(F)F)[n-]c1C#N ZINC001640271266 1101031925 /nfs/dbraw/zinc/03/19/25/1101031925.db2.gz OTCZRHXIXWJURD-UXBLZVDNSA-N -1 0 331.257 2.737 10 30 EFEERM N#Cc1cccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])s3)n[nH]2)c1 ZINC001641929618 1101176577 /nfs/dbraw/zinc/17/65/77/1101176577.db2.gz FFORYNZBDCNNSC-UHFFFAOYSA-N -1 0 340.324 2.565 10 30 EFEERM CCON(Cc1ccccc1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC001642245039 1101202099 /nfs/dbraw/zinc/20/20/99/1101202099.db2.gz HCWYIPNKNIUKCO-UHFFFAOYSA-N -1 0 343.408 2.975 10 30 EFEERM N#Cc1cccc(O[N-]C(=O)c2ccn(-c3c(F)cccc3F)n2)c1 ZINC001642628297 1101228546 /nfs/dbraw/zinc/22/85/46/1101228546.db2.gz BDLWPHNABODJDZ-UHFFFAOYSA-N -1 0 340.289 2.746 10 30 EFEERM C[C@H](C(=O)[N-]Oc1cccc(C#N)c1)n1ccc2ccccc2c1=O ZINC001642628518 1101228597 /nfs/dbraw/zinc/22/85/97/1101228597.db2.gz LTDCVLJKQJVLDZ-CYBMUJFWSA-N -1 0 333.347 2.544 10 30 EFEERM N#Cc1cccc(O[N-]C(=O)CN[C@H](c2ccccc2)C(F)(F)F)c1 ZINC001642625549 1101229025 /nfs/dbraw/zinc/22/90/25/1101229025.db2.gz RFVIOTIGYOAUCU-MRXNPFEDSA-N -1 0 349.312 2.861 10 30 EFEERM N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C2 ZINC001643167203 1101276909 /nfs/dbraw/zinc/27/69/09/1101276909.db2.gz LYPBZRGDKLAEQI-NSHDSACASA-N -1 0 332.281 2.578 10 30 EFEERM Cc1ccccc1Oc1cccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1 ZINC001643256392 1101285009 /nfs/dbraw/zinc/28/50/09/1101285009.db2.gz NYLVOMYXJUXDLN-UHFFFAOYSA-N -1 0 348.362 2.790 10 30 EFEERM CC[C@@](O)(C(=O)[N-]Oc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC001643520964 1101306207 /nfs/dbraw/zinc/30/62/07/1101306207.db2.gz ZYIRDONVQQEQAA-KRWDZBQOSA-N -1 0 330.771 2.919 10 30 EFEERM C=C(Cl)C[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC001654231814 1101697032 /nfs/dbraw/zinc/69/70/32/1101697032.db2.gz JWNFZURMLQYHNR-UHFFFAOYSA-N -1 0 335.134 2.785 10 30 EFEERM C[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(Br)cc1F ZINC000707468902 1102560181 /nfs/dbraw/zinc/56/01/81/1102560181.db2.gz IXVIXCJUEBAMFV-RXMQYKEDSA-N -1 0 341.589 2.895 10 30 EFEERM C=CCCC[C@H](NC(=O)N[C@H]1COc2cc(F)cc(F)c21)C(=O)[O-] ZINC000905533658 1103278591 /nfs/dbraw/zinc/27/85/91/1103278591.db2.gz ACDGQSPVHJHDJW-RYUDHWBXSA-N -1 0 340.326 2.507 10 30 EFEERM C=CCCC[C@@H](NC(=O)N[C@H]1COc2cc(F)cc(F)c21)C(=O)[O-] ZINC000905533656 1103279104 /nfs/dbraw/zinc/27/91/04/1103279104.db2.gz ACDGQSPVHJHDJW-NEPJUHHUSA-N -1 0 340.326 2.507 10 30 EFEERM C=CCCC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1OC)C(=O)[O-] ZINC000905542694 1103290567 /nfs/dbraw/zinc/29/05/67/1103290567.db2.gz FDUASJGSGUNSIT-RRFJBIMHSA-N -1 0 332.400 2.660 10 30 EFEERM C=CCCC[C@@H](NC(=O)NCc1ccccc1N1CCCC1)C(=O)[O-] ZINC000905515950 1103297639 /nfs/dbraw/zinc/29/76/39/1103297639.db2.gz ZVISOXHQUDWAJK-MRXNPFEDSA-N -1 0 345.443 2.896 10 30 EFEERM C=CCCC[C@H](NC(=O)N[C@@H]1CCc2c1cccc2OC)C(=O)[O-] ZINC000905522517 1103305726 /nfs/dbraw/zinc/30/57/26/1103305726.db2.gz IJINLSJQEXRHFT-CABCVRRESA-N -1 0 332.400 2.791 10 30 EFEERM C=CCCC[C@H](NC(=O)NCC1([C@@H]2CCCCO2)CCC1)C(=O)[O-] ZINC000905556356 1103321957 /nfs/dbraw/zinc/32/19/57/1103321957.db2.gz QCWXYVYAXMACQV-GJZGRUSLSA-N -1 0 338.448 2.835 10 30 EFEERM C=CCC[C@H](NC(=O)N[C@@H]1CCCOc2c(OC)cccc21)C(=O)[O-] ZINC000905567182 1103335428 /nfs/dbraw/zinc/33/54/28/1103335428.db2.gz NVQYIOZUDVTGDL-KGLIPLIRSA-N -1 0 348.399 2.628 10 30 EFEERM C=CCCC[C@H](NC(=O)NC[C@@]1(C)CCOC2(CCC2)C1)C(=O)[O-] ZINC000905589893 1103373945 /nfs/dbraw/zinc/37/39/45/1103373945.db2.gz IJQCJCWNQWKPMO-YOEHRIQHSA-N -1 0 338.448 2.835 10 30 EFEERM C#C[C@H](NS(=O)(=O)c1cccc(Cl)c1[O-])c1ccc(F)cc1 ZINC001662113814 1103590672 /nfs/dbraw/zinc/59/06/72/1103590672.db2.gz VECXUUJXUTXJKF-ZDUSSCGKSA-N -1 0 339.775 2.838 10 30 EFEERM C=CCCc1ccc(S(=O)(=O)NCC[C@@H](C)CC(=O)[O-])cc1 ZINC000905988094 1103797287 /nfs/dbraw/zinc/79/72/87/1103797287.db2.gz NNRHQCCBHLSGET-CYBMUJFWSA-N -1 0 325.430 2.584 10 30 EFEERM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000906062683 1103873769 /nfs/dbraw/zinc/87/37/69/1103873769.db2.gz SDDVLRRMRYIHMB-ZDUSSCGKSA-N -1 0 331.825 2.812 10 30 EFEERM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]c1ccc(Cl)cc1C#N ZINC000906070454 1103880813 /nfs/dbraw/zinc/88/08/13/1103880813.db2.gz CUDICPVKJTUDQV-FQEVSTJZSA-N -1 0 349.865 2.765 10 30 EFEERM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000079137272 1104143682 /nfs/dbraw/zinc/14/36/82/1104143682.db2.gz DEMNKDUDMPRUAW-UHFFFAOYSA-N -1 0 338.316 2.736 10 30 EFEERM C=CCCCS(=O)(=O)[N-]CC(F)(F)c1ccc(F)cc1F ZINC001665340170 1104672361 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C=CC[C@H]1CCN1C(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000890556461 713006028 /nfs/dbraw/zinc/00/60/28/713006028.db2.gz LBJOYCJJWYPEQB-LBPRGKRZSA-N -1 0 348.346 2.739 10 30 EFEERM C=CC[C@H]1CCN1C(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000890557972 713008539 /nfs/dbraw/zinc/00/85/39/713008539.db2.gz KEYYLYIODSAPPT-JTQLQIEISA-N -1 0 348.346 2.739 10 30 EFEERM C#C[C@H]1CCCCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000890656638 713281631 /nfs/dbraw/zinc/28/16/31/713281631.db2.gz ZCBRPEUYZQZFJK-VIFPVBQESA-N -1 0 326.165 2.922 10 30 EFEERM CC(C)(C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(C)(F)F ZINC000867786649 715225678 /nfs/dbraw/zinc/22/56/78/715225678.db2.gz GQGVWGFLQFBTHA-UHFFFAOYSA-N -1 0 338.326 2.796 10 30 EFEERM CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000075778543 716394851 /nfs/dbraw/zinc/39/48/51/716394851.db2.gz PGQKTLKFGZMZDJ-MNOVXSKESA-N -1 0 348.218 2.519 10 30 EFEERM O=C1[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCN1c1ccccc1 ZINC000255686409 717410794 /nfs/dbraw/zinc/41/07/94/717410794.db2.gz CDFKIDBLLWKNIH-JQFNYASXSA-N -1 0 325.324 2.525 10 30 EFEERM N#CC(C(=O)NC1CCCCC1)=C([O-])c1coc(Br)c1 ZINC000127408635 724514809 /nfs/dbraw/zinc/51/48/09/724514809.db2.gz ACCFRFQJTWRVKD-NSHDSACASA-N -1 0 339.189 2.813 10 30 EFEERM C=CCCC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)COC)c1ccccc1 ZINC000892692133 718727821 /nfs/dbraw/zinc/72/78/21/718727821.db2.gz RPTJOEBBIKCWBE-ZBFHGGJFSA-N -1 0 339.457 2.607 10 30 EFEERM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C3(C#N)CC3)cc2)c(C)o1 ZINC000180104141 719898487 /nfs/dbraw/zinc/89/84/87/719898487.db2.gz FMHMXEQKBICJBY-UHFFFAOYSA-N -1 0 344.392 2.570 10 30 EFEERM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)CCCC(C)(F)F ZINC000893806224 720105180 /nfs/dbraw/zinc/10/51/80/720105180.db2.gz FBFGMIDRMVMGAA-UHFFFAOYSA-N -1 0 347.383 2.746 10 30 EFEERM N#Cc1ccc(O)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000126213919 720742559 /nfs/dbraw/zinc/74/25/59/720742559.db2.gz QIBPVQFFVMUYHE-UHFFFAOYSA-N -1 0 326.736 2.857 10 30 EFEERM CNC(=O)C(C#N)=C([O-])c1sc2nc(C(F)(F)F)ccc2c1C ZINC000123544882 720845214 /nfs/dbraw/zinc/84/52/14/720845214.db2.gz GCJOULWFTJGQBF-QMMMGPOBSA-N -1 0 341.314 2.692 10 30 EFEERM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(OC(F)(F)Cl)cc1 ZINC000193817143 720954451 /nfs/dbraw/zinc/95/44/51/720954451.db2.gz JQNXHFNPZHUAOQ-LLVKDONJSA-N -1 0 330.718 2.702 10 30 EFEERM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2cc(Cl)ccc2o1 ZINC000124317650 721472475 /nfs/dbraw/zinc/47/24/75/721472475.db2.gz NWPWBNQCAMJXEK-ZDUSSCGKSA-N -1 0 348.786 2.951 10 30 EFEERM C=CCOc1cccc(NC(=O)C(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000183422312 723257669 /nfs/dbraw/zinc/25/76/69/723257669.db2.gz IGCDLSZJZBSVAN-UHFFFAOYSA-N -1 0 344.342 2.577 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)N[C@H](C)c1ccncc1CC)C(=O)[O-] ZINC000929048286 726377562 /nfs/dbraw/zinc/37/75/62/726377562.db2.gz CDUXVZQMKWYEFJ-ZWNOBZJWSA-N -1 0 325.796 2.600 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)N(C)CCc2ccccc2F)cc1C#N ZINC000731838292 726940646 /nfs/dbraw/zinc/94/06/46/726940646.db2.gz YCRULZWNHGGSPW-UHFFFAOYSA-N -1 0 345.399 2.835 10 30 EFEERM C=C[C@@H](CC(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1)c1ccccc1 ZINC000907910533 727051507 /nfs/dbraw/zinc/05/15/07/727051507.db2.gz GLNBGRBMSCGAFM-GJZGRUSLSA-N -1 0 331.412 2.732 10 30 EFEERM CC1(C)C[C@@]1(C#N)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000908299161 727157532 /nfs/dbraw/zinc/15/75/32/727157532.db2.gz MCLKAKDZGIZWDF-LBPRGKRZSA-N -1 0 344.159 2.744 10 30 EFEERM C=CCn1ncc2ccc(NC(=O)N3CC[C@@H](C)C[C@@H]3C(=O)[O-])cc21 ZINC000908633645 727229350 /nfs/dbraw/zinc/22/93/50/727229350.db2.gz YRNJHUFQNGDXFP-MLGOLLRUSA-N -1 0 342.399 2.939 10 30 EFEERM C=C(C)COc1cccc(NC(=O)N2CCC[C@@]2(COC)C(=O)[O-])c1 ZINC000908622593 727232941 /nfs/dbraw/zinc/23/29/41/727232941.db2.gz RYWFUYSSMVJNMB-GOSISDBHSA-N -1 0 348.399 2.739 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C)C(=O)[O-] ZINC000908751972 727256711 /nfs/dbraw/zinc/25/67/11/727256711.db2.gz IBJJVNWAVROLNN-SJORKVTESA-N -1 0 347.459 2.570 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NC[C@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000908888494 727282181 /nfs/dbraw/zinc/28/21/81/727282181.db2.gz SAAXWVCVBQFOSM-ZANVPECISA-N -1 0 328.771 2.824 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NCCCCc1nc(C)cs1)C(=O)[O-] ZINC000908936680 727288631 /nfs/dbraw/zinc/28/86/31/727288631.db2.gz OIDNUTGMSRYTML-NSHDSACASA-N -1 0 345.852 2.669 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)NCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000908946938 727291204 /nfs/dbraw/zinc/29/12/04/727291204.db2.gz XUJREZRNZLPFDR-SECBINFHSA-N -1 0 345.852 2.836 10 30 EFEERM C=CCCC[C@H](NC(=O)NCCC1CCC(OC)CC1)C(=O)[O-] ZINC000909011412 727301159 /nfs/dbraw/zinc/30/11/59/727301159.db2.gz RBFNWZJJYBJSMR-NRXISQOPSA-N -1 0 326.437 2.690 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NC[C@H]1CCCN(c2ccccc2)C1)C(=O)[O-] ZINC000909099583 727322526 /nfs/dbraw/zinc/32/25/26/727322526.db2.gz ZDZCDMMMZJWBCA-NVXWUHKLSA-N -1 0 345.443 2.622 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)NCc1nc(C(C)C)cs1)C(=O)[O-] ZINC000909110479 727330564 /nfs/dbraw/zinc/33/05/64/727330564.db2.gz GMIFVKSCRFMJEI-SECBINFHSA-N -1 0 331.825 2.662 10 30 EFEERM C=C(C)C[C@H](NC(=O)NCc1c(F)cccc1N1CCCC1)C(=O)[O-] ZINC000909150977 727331688 /nfs/dbraw/zinc/33/16/88/727331688.db2.gz OIOBUKZPWRQQER-HNNXBMFYSA-N -1 0 349.406 2.645 10 30 EFEERM C=CCCC[C@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000909273433 727352015 /nfs/dbraw/zinc/35/20/15/727352015.db2.gz RDOSNQHZUNYFHV-IRXDYDNUSA-N -1 0 331.412 2.829 10 30 EFEERM C=CCC[C@@H](NC(=O)[C@@H](OC)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000909717389 727368035 /nfs/dbraw/zinc/36/80/35/727368035.db2.gz ZHDOFFTUSZTHFB-OLZOCXBDSA-N -1 0 345.317 2.929 10 30 EFEERM C=CCCC[C@H](C(=O)NCCn1cnc(C(=O)[O-])c1)c1ccccc1 ZINC000909912368 727393006 /nfs/dbraw/zinc/39/30/06/727393006.db2.gz WJRFZPJXKKUIKU-INIZCTEOSA-N -1 0 341.411 2.838 10 30 EFEERM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1noc(C(F)F)n1 ZINC000909942103 727397285 /nfs/dbraw/zinc/39/72/85/727397285.db2.gz VZOKTVYHTFBNNN-ZETCQYMHSA-N -1 0 342.252 2.848 10 30 EFEERM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1noc(C(F)F)n1 ZINC000909942102 727397327 /nfs/dbraw/zinc/39/73/27/727397327.db2.gz VZOKTVYHTFBNNN-SSDOTTSWSA-N -1 0 342.252 2.848 10 30 EFEERM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000909953323 727398487 /nfs/dbraw/zinc/39/84/87/727398487.db2.gz OQMDJABBXIMEBN-BQFCYCMXSA-N -1 0 343.423 2.902 10 30 EFEERM C#Cc1cncc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000910086751 727410882 /nfs/dbraw/zinc/41/08/82/727410882.db2.gz ACBFCJSZWHQPNF-SJORKVTESA-N -1 0 326.396 2.559 10 30 EFEERM C=CCCC[C@H](C(=O)N1CC[C@@](OC)(C(=O)[O-])C1)c1ccccc1 ZINC000910223120 727419812 /nfs/dbraw/zinc/41/98/12/727419812.db2.gz WNTMCZPVJQSJQV-LPHOPBHVSA-N -1 0 331.412 2.829 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)COCc1cccc(Cl)c1)C(=O)[O-] ZINC000910269999 727425546 /nfs/dbraw/zinc/42/55/46/727425546.db2.gz FPKGKJVONISJOY-LBPRGKRZSA-N -1 0 332.183 2.569 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)c1ccc(OC(C)(C)C)cn1)C(=O)[O-] ZINC000910270333 727425566 /nfs/dbraw/zinc/42/55/66/727425566.db2.gz HXUNTIPTCRTCIV-LBPRGKRZSA-N -1 0 326.780 2.585 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)[C@H]1CCc2cc(OC)ccc2C1)C(=O)[O-] ZINC000910271037 727425756 /nfs/dbraw/zinc/42/57/56/727425756.db2.gz MCNZHPDRPNXGID-ZFWWWQNUSA-N -1 0 337.803 2.512 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)/C(C)=C/c1ccc(OC)c(F)c1)C(=O)[O-] ZINC000910271060 727425768 /nfs/dbraw/zinc/42/57/68/727425768.db2.gz MGZDJZNLYVHNJJ-YSKGHYERSA-N -1 0 341.766 2.950 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)[C@@H]1CCc2cc(OC)ccc2C1)C(=O)[O-] ZINC000910271035 727425770 /nfs/dbraw/zinc/42/57/70/727425770.db2.gz MCNZHPDRPNXGID-HIFRSBDPSA-N -1 0 337.803 2.512 10 30 EFEERM C=C(C)C[C@H](NC(=O)Cc1ccc(F)cc1Br)C(=O)[O-] ZINC000910291599 727430734 /nfs/dbraw/zinc/43/07/34/727430734.db2.gz KFIASVRAIXVYQX-LBPRGKRZSA-N -1 0 344.180 2.666 10 30 EFEERM C=C(C)C[C@@H](NC(=O)Cc1ccc(F)cc1Br)C(=O)[O-] ZINC000910291598 727430807 /nfs/dbraw/zinc/43/08/07/727430807.db2.gz KFIASVRAIXVYQX-GFCCVEGCSA-N -1 0 344.180 2.666 10 30 EFEERM C=C(C)C[C@@H](NC(=O)Cc1c[nH]c2cccc(OCC)c12)C(=O)[O-] ZINC000910291571 727430808 /nfs/dbraw/zinc/43/08/08/727430808.db2.gz JRUQGXURKXWONI-CQSZACIVSA-N -1 0 330.384 2.645 10 30 EFEERM C=C(C)C[C@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)[O-] ZINC000910294120 727430958 /nfs/dbraw/zinc/43/09/58/727430958.db2.gz OBMWZQWVUZJYPA-VIFPVBQESA-N -1 0 341.289 2.502 10 30 EFEERM C=C(C)C[C@@H](NC(=O)[C@H](OC)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000910292790 727430973 /nfs/dbraw/zinc/43/09/73/727430973.db2.gz IOVLLVMDVAAIBS-CHWSQXEVSA-N -1 0 345.317 2.929 10 30 EFEERM C=C(C)C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)C(=O)[O-] ZINC000910294980 727431167 /nfs/dbraw/zinc/43/11/67/727431167.db2.gz SQYIXPDEYYNAMX-OCCSQVGLSA-N -1 0 336.819 2.702 10 30 EFEERM C=CCCO[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000910403525 727437015 /nfs/dbraw/zinc/43/70/15/727437015.db2.gz GRUFFGBMQZSGEN-BXUZGUMPSA-N -1 0 325.792 2.953 10 30 EFEERM C=CC[C@H](C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC000910615416 727453463 /nfs/dbraw/zinc/45/34/63/727453463.db2.gz KIKGMTXMYBYGDO-ASPXRTSYSA-N -1 0 343.423 2.875 10 30 EFEERM C=C1CC(C)(C(=O)N2CCC(Cc3nc(C(=O)[O-])cs3)CC2)C1 ZINC000910788992 727463793 /nfs/dbraw/zinc/46/37/93/727463793.db2.gz YFEYBHMZIXNRMV-UHFFFAOYSA-N -1 0 334.441 2.979 10 30 EFEERM C=CCCC[C@@H](NC(=O)C(C)(C)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000910912419 727471483 /nfs/dbraw/zinc/47/14/83/727471483.db2.gz LWAAFWPNRMDKGH-CQSZACIVSA-N -1 0 349.427 2.907 10 30 EFEERM C=CCCC[C@H](NC(=O)c1cccc(-c2cnn(C)c2)c1)C(=O)[O-] ZINC000910913920 727471660 /nfs/dbraw/zinc/47/16/60/727471660.db2.gz GCNYDAOTLYBCMZ-INIZCTEOSA-N -1 0 327.384 2.626 10 30 EFEERM C=CCCC[C@H](NC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1)C(=O)[O-] ZINC000910914143 727471662 /nfs/dbraw/zinc/47/16/62/727471662.db2.gz ILLHNOWDSXRCDH-CJNGLKHVSA-N -1 0 333.384 2.582 10 30 EFEERM C=CCCC[C@@H](NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910914059 727471675 /nfs/dbraw/zinc/47/16/75/727471675.db2.gz CDBMONOBQAASTM-OLZOCXBDSA-N -1 0 345.317 2.665 10 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C=CCOC[C@@H](NC(=O)NCc1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC000871647472 1287190070 /nfs/dbraw/zinc/19/00/70/1287190070.db2.gz JYLUBVPDANLHMN-GFCCVEGCSA-N -1 0 340.445 2.501 10 30 EFEERM C=CCC[C@@H](NC(=O)NCc1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000871648628 1287190613 /nfs/dbraw/zinc/19/06/13/1287190613.db2.gz FRBNQXYVAQBLKE-SECBINFHSA-N -1 0 336.335 2.986 10 30 EFEERM C=C(C)C[C@@H](NC(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1)C(=O)[O-] ZINC000871650295 1287191409 /nfs/dbraw/zinc/19/14/09/1287191409.db2.gz UMWLRRNSBXMDDC-MWLCHTKSSA-N -1 0 345.321 2.880 10 30 EFEERM C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1)C(=O)[O-] ZINC000871651913 1287191857 /nfs/dbraw/zinc/19/18/57/1287191857.db2.gz SXXFLRIFBOOGBL-ONGXEEELSA-N -1 0 345.321 2.880 10 30 EFEERM COc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1Cl ZINC000815907087 1287877288 /nfs/dbraw/zinc/87/72/88/1287877288.db2.gz RHFFAJMHLXIQCW-AWEZNQCLSA-N -1 0 342.782 2.987 10 30 EFEERM N#Cc1ccc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)o1 ZINC000817417051 1288593134 /nfs/dbraw/zinc/59/31/34/1288593134.db2.gz BQMNSTVKYIWLIE-LBPRGKRZSA-N -1 0 349.312 2.761 10 30 EFEERM N#CCCCOc1cccnc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001136552635 1288903747 /nfs/dbraw/zinc/90/37/47/1288903747.db2.gz AKACDSQLZAYNRN-UHFFFAOYSA-N -1 0 342.311 2.630 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)COc1cc(Cl)ccc1C)C(=O)[O-] ZINC000872740794 1289350556 /nfs/dbraw/zinc/35/05/56/1289350556.db2.gz OABKLJZORLLYKR-LLVKDONJSA-N -1 0 332.183 2.739 10 30 EFEERM C=CCC1(S(=O)(=O)[N-]C(=O)c2nc3ccccc3cc2C)CC1 ZINC000873531496 1289900372 /nfs/dbraw/zinc/90/03/72/1289900372.db2.gz QNNBLPGISSCFCL-UHFFFAOYSA-N -1 0 330.409 2.712 10 30 EFEERM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)c1cccc(Cl)c1 ZINC000873560527 1289921427 /nfs/dbraw/zinc/92/14/27/1289921427.db2.gz BARFPHIDZRFJSS-LLVKDONJSA-N -1 0 327.833 2.897 10 30 EFEERM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000775282793 1291806217 /nfs/dbraw/zinc/80/62/17/1291806217.db2.gz LBZODEIXIBZOTC-UHFFFAOYSA-N -1 0 331.378 2.674 10 30 EFEERM C#C[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CC1 ZINC000881465204 1292903812 /nfs/dbraw/zinc/90/38/12/1292903812.db2.gz AQTCSGKGDHUOHY-UMSPYCQHSA-N -1 0 327.409 2.546 10 30 EFEERM C=CCCc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H]2CCOC2)cc1 ZINC000903665929 1313034940 /nfs/dbraw/zinc/03/49/40/1313034940.db2.gz GMNOGUHCMSPSQF-HNNXBMFYSA-N -1 0 347.440 2.764 10 30 EFEERM N#Cc1cccc(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)c1 ZINC001412538594 1296583735 /nfs/dbraw/zinc/58/37/35/1296583735.db2.gz MMESWNUUKJAYGN-UHFFFAOYSA-N -1 0 337.257 2.582 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)N[C@@H]1COc2c1cccc2Cl)C(=O)[O-] ZINC000929043298 1297154375 /nfs/dbraw/zinc/15/43/75/1297154375.db2.gz CIYNVPFYFIJCCY-WDEREUQCSA-N -1 0 345.182 2.669 10 30 EFEERM COc1ccc(CN2C(=O)C(=N[O-])c3cccc(C)c32)cc1OC ZINC000254291396 1299072152 /nfs/dbraw/zinc/07/21/52/1299072152.db2.gz XWUKHHVGRTZTGF-UHFFFAOYSA-N -1 0 326.352 2.737 10 30 EFEERM CCCCCCC[N@@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852735595 1299844341 /nfs/dbraw/zinc/84/43/41/1299844341.db2.gz JAGYSBPAHFAMEU-NEPJUHHUSA-N -1 0 338.370 2.553 10 30 EFEERM C=CCc1cc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)cc(OC)c1OC ZINC000852961208 1299947645 /nfs/dbraw/zinc/94/76/45/1299947645.db2.gz HYYWDTNWUMFNKV-HNNXBMFYSA-N -1 0 347.411 2.663 10 30 EFEERM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000088815061 1300641289 /nfs/dbraw/zinc/64/12/89/1300641289.db2.gz QDZYSAUKRZNYAN-ZDUSSCGKSA-N -1 0 340.445 2.683 10 30 EFEERM N#C[C@]1(c2ccccn2)CCCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000855301579 1300902483 /nfs/dbraw/zinc/90/24/83/1300902483.db2.gz OALLTZICWBGOOX-GOSISDBHSA-N -1 0 343.333 2.763 10 30 EFEERM CCCCCCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000863431450 1302610621 /nfs/dbraw/zinc/61/06/21/1302610621.db2.gz BBUFSZUGFPWZSW-ILXRZTDVSA-N -1 0 331.478 2.862 10 30 EFEERM CCCCCCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000863431451 1302611082 /nfs/dbraw/zinc/61/10/82/1302611082.db2.gz BBUFSZUGFPWZSW-KKUMJFAQSA-N -1 0 331.478 2.862 10 30 EFEERM CCCCCCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000863431452 1302612674 /nfs/dbraw/zinc/61/26/74/1302612674.db2.gz BBUFSZUGFPWZSW-QLFBSQMISA-N -1 0 331.478 2.862 10 30 EFEERM C=CCOC[C@@H](NC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864145394 1302794488 /nfs/dbraw/zinc/79/44/88/1302794488.db2.gz HWJHUMHEIBHOLJ-UMBAGQNISA-N -1 0 349.330 2.552 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)Cc1c[nH]c2c1cccc2CC)C(=O)[O-] ZINC000864184581 1302805049 /nfs/dbraw/zinc/80/50/49/1302805049.db2.gz RDSSUKMGKPTJHV-CQSZACIVSA-N -1 0 334.803 2.985 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)c1oc(Br)cc1C)C(=O)[O-] ZINC000864184393 1302805239 /nfs/dbraw/zinc/80/52/39/1302805239.db2.gz NABZPSANKOXXSS-ZETCQYMHSA-N -1 0 336.569 2.676 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)c1cc2ccc(OCC)cc2[nH]1)C(=O)[O-] ZINC000864184494 1302805272 /nfs/dbraw/zinc/80/52/72/1302805272.db2.gz OALUKFTWHSRJIA-AWEZNQCLSA-N -1 0 336.775 2.892 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)[C@H](CC)Oc1cccc(C)c1)C(=O)[O-] ZINC000864183568 1302805335 /nfs/dbraw/zinc/80/53/35/1302805335.db2.gz LAKBLVWVVQFGTN-KBPBESRZSA-N -1 0 325.792 2.864 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)C(=O)[O-] ZINC000864184420 1302805364 /nfs/dbraw/zinc/80/53/64/1302805364.db2.gz QPIGQHNOHLUFHR-MWLCHTKSSA-N -1 0 331.846 2.791 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)[C@@H](C)CCOc1ccccc1)C(=O)[O-] ZINC000864183953 1302805694 /nfs/dbraw/zinc/80/56/94/1302805694.db2.gz NRCRKMTYAOAJQQ-FZMZJTMJSA-N -1 0 325.792 2.804 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)c1ccc(C2CCOCC2)cc1)C(=O)[O-] ZINC000864189558 1302806246 /nfs/dbraw/zinc/80/62/46/1302806246.db2.gz QBVNAKCMSKPKCJ-HNNXBMFYSA-N -1 0 337.803 2.906 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)Cc1cccc(OCCC)c1)C(=O)[O-] ZINC000864186647 1302806289 /nfs/dbraw/zinc/80/62/89/1302806289.db2.gz UKMJTGPABCNKDC-AWEZNQCLSA-N -1 0 325.792 2.730 10 30 EFEERM COC(=O)[C@@H]1OCC[C@@H]1C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000864347688 1302895731 /nfs/dbraw/zinc/89/57/31/1302895731.db2.gz WBGYBIODKRPXHQ-ZYARDVRCSA-N -1 0 332.183 2.696 10 30 EFEERM C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000864437724 1302935730 /nfs/dbraw/zinc/93/57/30/1302935730.db2.gz QTHFNXKLMDNVNP-AWEZNQCLSA-N -1 0 345.420 2.636 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)NCCc1ccc(Cl)cc1)C(=O)[O-] ZINC000864519777 1302958130 /nfs/dbraw/zinc/95/81/30/1302958130.db2.gz ZAGMSMWCDKYEPO-GFCCVEGCSA-N -1 0 331.199 2.778 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)C(=O)[O-] ZINC000864520515 1302958365 /nfs/dbraw/zinc/95/83/65/1302958365.db2.gz XCLVVQACOOLEKC-PRHODGIISA-N -1 0 332.734 2.921 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)NCCCOC1CCCCC1)C(=O)[O-] ZINC000864523047 1302959653 /nfs/dbraw/zinc/95/96/53/1302959653.db2.gz NNAFDRQTZRHSTH-CYBMUJFWSA-N -1 0 332.828 2.621 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NCCc1ccccc1Cl)C(=O)[O-] ZINC000864523402 1302959883 /nfs/dbraw/zinc/95/98/83/1302959883.db2.gz RLBHBIGCNFBALI-LBPRGKRZSA-N -1 0 331.199 2.778 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)N[C@@H](C)c1cc(C)ccc1OC)C(=O)[O-] ZINC000864523958 1302959959 /nfs/dbraw/zinc/95/99/59/1302959959.db2.gz XVZBAASIQXBYDR-AAEUAGOBSA-N -1 0 340.807 2.960 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)N[C@@H](C)c1ccc(OC)c(F)c1)C(=O)[O-] ZINC000864523354 1302960127 /nfs/dbraw/zinc/96/01/27/1302960127.db2.gz QRTVENANXIQJLH-JOYOIKCWSA-N -1 0 344.770 2.790 10 30 EFEERM C=CCOc1ccccc1CNC(=O)N[C@@H](CC(=C)Cl)C(=O)[O-] ZINC000864524597 1302960790 /nfs/dbraw/zinc/96/07/90/1302960790.db2.gz IIMGEPUNLPEWNY-ZDUSSCGKSA-N -1 0 338.791 2.646 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1OC)C(=O)[O-] ZINC000864524428 1302960797 /nfs/dbraw/zinc/96/07/97/1302960797.db2.gz UDXFKXSRCJBOGS-JOYOIKCWSA-N -1 0 344.770 2.790 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)N[C@H](C)c1cc(F)ccc1OC)C(=O)[O-] ZINC000864524429 1302961419 /nfs/dbraw/zinc/96/14/19/1302961419.db2.gz UDXFKXSRCJBOGS-SKDRFNHKSA-N -1 0 344.770 2.790 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NCc1ccc(Cl)cc1OC)C(=O)[O-] ZINC000864524545 1302961424 /nfs/dbraw/zinc/96/14/24/1302961424.db2.gz HEBSUGQVQCKFDK-NSHDSACASA-N -1 0 347.198 2.744 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)N[C@@H](C)c1cccc(OC)c1)C(=O)[O-] ZINC000864526489 1302963581 /nfs/dbraw/zinc/96/35/81/1302963581.db2.gz IQIICKJAQRRVJN-GXFFZTMASA-N -1 0 326.780 2.651 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)NC[C@H](C)c1ccc(F)cc1F)C(=O)[O-] ZINC000864525223 1302962492 /nfs/dbraw/zinc/96/24/92/1302962492.db2.gz URQFEEWSGBELBM-ISVAXAHUSA-N -1 0 346.761 2.963 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)N[C@@H]1CCC[C@H](SCC)C1)C(=O)[O-] ZINC000864526747 1302963665 /nfs/dbraw/zinc/96/36/65/1302963665.db2.gz OKZDPUSFKSYUQK-WOPDTQHZSA-N -1 0 334.869 2.946 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NCc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000864526506 1302963874 /nfs/dbraw/zinc/96/38/74/1302963874.db2.gz IYBCYGHVLUATOO-NSHDSACASA-N -1 0 348.733 2.683 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C)C(=O)[O-] ZINC000864528295 1302963892 /nfs/dbraw/zinc/96/38/92/1302963892.db2.gz NRGNPGMYJZASSF-AVGNSLFASA-N -1 0 346.855 2.723 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)NC1CCC2(CC2(F)F)CC1)C(=O)[O-] 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ZINC000593175448 479220783 /nfs/dbraw/zinc/22/07/83/479220783.db2.gz PPBLPWCIAHDBIL-WAYWQWQTSA-N -1 0 343.412 2.929 10 30 EFEERM CC(C)Oc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1C#N ZINC000610927696 479234781 /nfs/dbraw/zinc/23/47/81/479234781.db2.gz FZLUNNWZXJYEFD-HUUCEWRRSA-N -1 0 328.368 2.951 10 30 EFEERM Cc1cc([N-]S(=O)(=O)c2ccsc2C#N)nn1[C@@H](C)C1CC1 ZINC000593211349 479241387 /nfs/dbraw/zinc/24/13/87/479241387.db2.gz TVDVSVBBXUBNJE-JTQLQIEISA-N -1 0 336.442 2.897 10 30 EFEERM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1C ZINC000593276004 479271362 /nfs/dbraw/zinc/27/13/62/479271362.db2.gz AHKPBRQHEVHURB-UHFFFAOYSA-N -1 0 332.429 2.639 10 30 EFEERM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)cc1 ZINC000593280356 479274334 /nfs/dbraw/zinc/27/43/34/479274334.db2.gz XCUDPCNOZFBJEK-UHFFFAOYSA-N -1 0 342.424 2.956 10 30 EFEERM N#Cc1ccc(CN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C2CC2)cc1 ZINC000596648507 479371381 /nfs/dbraw/zinc/37/13/81/479371381.db2.gz BFIQBHBCACSONS-QGZVFWFLSA-N -1 0 341.411 2.733 10 30 EFEERM N#CCC[C@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccccc1 ZINC000596655560 479374480 /nfs/dbraw/zinc/37/44/80/479374480.db2.gz XOIJSYROMYIHPZ-HOTGVXAUSA-N -1 0 329.400 2.832 10 30 EFEERM Cc1ccc(O[C@@H](C)CNS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593558303 479387535 /nfs/dbraw/zinc/38/75/35/479387535.db2.gz VEPYJAQBWZMASU-LBPRGKRZSA-N -1 0 336.438 2.674 10 30 EFEERM C[C@H](NS(=O)(=O)c1ccsc1C#N)[C@@H]1Oc2ccccc2[C@H]1C ZINC000593558178 479387670 /nfs/dbraw/zinc/38/76/70/479387670.db2.gz FZIZOPJICSYUGW-OHUAYANFSA-N -1 0 348.449 2.851 10 30 EFEERM C=CCCCCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC000575192914 479418296 /nfs/dbraw/zinc/41/82/96/479418296.db2.gz RFEZYRIFAMDLKX-KFWWJZLASA-N -1 0 326.437 2.690 10 30 EFEERM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000593897499 479501560 /nfs/dbraw/zinc/50/15/60/479501560.db2.gz NHUDDBRRNFNTTA-LSDHHAIUSA-N -1 0 338.436 2.666 10 30 EFEERM C=CCOc1ccc(CNC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000576985419 479586979 /nfs/dbraw/zinc/58/69/79/479586979.db2.gz BKQXYAPSIYCMLV-BBRMVZONSA-N -1 0 332.400 2.504 10 30 EFEERM Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCCc3sc(Cl)cc32)[n-]1 ZINC000590121324 479605795 /nfs/dbraw/zinc/60/57/95/479605795.db2.gz DIPVIUBGFGOMHG-SNVBAGLBSA-N -1 0 335.820 2.628 10 30 EFEERM C=C(C)C[C@@H](NC(=O)Nc1cc(Cl)c(OC)cc1OC)C(=O)[O-] ZINC000630952088 479796335 /nfs/dbraw/zinc/79/63/35/479796335.db2.gz WMRTZGBFLIDMTC-LLVKDONJSA-N -1 0 342.779 2.898 10 30 EFEERM C=CCOc1c(Cl)cc(CN=c2[n-]nc(OC)s2)cc1OC ZINC000630953664 479797253 /nfs/dbraw/zinc/79/72/53/479797253.db2.gz MXDRQRCJCPXHCF-UHFFFAOYSA-N -1 0 341.820 2.808 10 30 EFEERM Cn1ncc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1C(F)F ZINC000614096185 480187395 /nfs/dbraw/zinc/18/73/95/480187395.db2.gz TYIWZBSIDRHBIF-UHFFFAOYSA-N -1 0 346.746 2.684 10 30 EFEERM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1C ZINC000610057006 480233088 /nfs/dbraw/zinc/23/30/88/480233088.db2.gz XSYZIYZLOSYUMU-UHFFFAOYSA-N -1 0 348.355 2.593 10 30 EFEERM C=CCN(C(=O)c1cc(Br)c(F)cc1[O-])[C@@H](C)COC ZINC000617583968 480288799 /nfs/dbraw/zinc/28/87/99/480288799.db2.gz TWZSQSPUPHKPJH-VIFPVBQESA-N -1 0 346.196 2.957 10 30 EFEERM Cn1cc(C#N)c(=NC(=O)NC(C)(C)Cc2ccccc2Cl)[n-]1 ZINC000610560622 480336864 /nfs/dbraw/zinc/33/68/64/480336864.db2.gz HFFXSYBPFODLTG-UHFFFAOYSA-N -1 0 331.807 2.510 10 30 EFEERM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c(F)c1 ZINC000610710896 480370739 /nfs/dbraw/zinc/37/07/39/480370739.db2.gz DWACWASGJBQJLX-UHFFFAOYSA-N -1 0 332.715 2.561 10 30 EFEERM C=C(C)COc1cccc(NC(=O)CC2(C(=O)[O-])CCOCC2)c1 ZINC000630117318 480552694 /nfs/dbraw/zinc/55/26/94/480552694.db2.gz NDBVCEQROWFQSL-UHFFFAOYSA-N -1 0 333.384 2.852 10 30 EFEERM O=C([O-])[C@@H]1CCC[C@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000634855959 480585220 /nfs/dbraw/zinc/58/52/20/480585220.db2.gz BBBPQXICJKJRQE-ZIAGYGMSSA-N -1 0 339.313 2.674 10 30 EFEERM O=C([O-])[C@H]1CCC[C@@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000634855956 480585381 /nfs/dbraw/zinc/58/53/81/480585381.db2.gz 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C=C(C)C[C@H](NC(=O)c1ccc(N2CCCCCC2)nc1)C(=O)[O-] ZINC000630318257 480668654 /nfs/dbraw/zinc/66/86/54/480668654.db2.gz XVTGRGOYGZAWKO-HNNXBMFYSA-N -1 0 331.416 2.611 10 30 EFEERM C=C(C)C[C@@H](NC(=O)Cc1cccc2ccc(OC)cc21)C(=O)[O-] ZINC000630319773 480670108 /nfs/dbraw/zinc/67/01/08/480670108.db2.gz HSDSEPNMNRFDDV-QGZVFWFLSA-N -1 0 327.380 2.927 10 30 EFEERM C=C(C)C[C@@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)C(=O)[O-] ZINC000630323991 480671651 /nfs/dbraw/zinc/67/16/51/480671651.db2.gz CSFISFLTHYFYPM-QGZVFWFLSA-N -1 0 341.411 2.697 10 30 EFEERM C=C(C)C[C@@H](NC(=O)COc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000630327251 480672683 /nfs/dbraw/zinc/67/26/83/480672683.db2.gz YPQFMRIROPVMLF-LLVKDONJSA-N -1 0 331.290 2.620 10 30 EFEERM C=C(C)C[C@H](NC(=O)NCc1ccccc1Br)C(=O)[O-] ZINC000630468292 480728690 /nfs/dbraw/zinc/72/86/90/480728690.db2.gz GEXWKVYLIPBYHQ-LBPRGKRZSA-N -1 0 341.205 2.668 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NCCCO[C@H](C)c1ccccc1)C(=O)[O-] ZINC000630468684 480729778 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EFEERM C=C(C)C[C@H](NC(=O)NC[C@@H](C)COCc1ccccc1)C(=O)[O-] ZINC000630479347 480738067 /nfs/dbraw/zinc/73/80/67/480738067.db2.gz DQSAUNBGRFYCFE-ZBFHGGJFSA-N -1 0 334.416 2.558 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NCCc1c[nH]c2cc(C)ccc12)C(=O)[O-] ZINC000630480609 480738774 /nfs/dbraw/zinc/73/87/74/480738774.db2.gz RSLVPRGEZOBLIU-MRXNPFEDSA-N -1 0 329.400 2.737 10 30 EFEERM C=C(C)C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC000630481569 480738940 /nfs/dbraw/zinc/73/89/40/480738940.db2.gz NADKYQBJEYTUTL-OWCLPIDISA-N -1 0 332.400 2.625 10 30 EFEERM C=CC(C)(C)CCNC(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)[O-] ZINC000630483972 480741275 /nfs/dbraw/zinc/74/12/75/480741275.db2.gz UWNDFOJNGXZBAS-HNNXBMFYSA-N -1 0 334.416 2.592 10 30 EFEERM C=C(C)C[C@@H](NC(=O)N[C@@H](C)c1ccc2c(c1)CCCO2)C(=O)[O-] ZINC000630485056 480742363 /nfs/dbraw/zinc/74/23/63/480742363.db2.gz ZPZYJXZLOKJYMA-SWLSCSKDSA-N -1 0 332.400 2.791 10 30 EFEERM C=C(C)C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)C(=O)[O-] ZINC000630489552 480744044 /nfs/dbraw/zinc/74/40/44/480744044.db2.gz DHOKJORDVXBFSZ-SPWCGHHHSA-N -1 0 334.803 2.697 10 30 EFEERM C=CCOc1cccc(NC(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])c1 ZINC000630546815 480773551 /nfs/dbraw/zinc/77/35/51/480773551.db2.gz VPUROZHWYDAFJM-CZUORRHYSA-N -1 0 348.399 2.643 10 30 EFEERM C=C(C)C[C@@H](NC(=O)Nc1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000630546839 480774048 /nfs/dbraw/zinc/77/40/48/480774048.db2.gz WCPUKZYDIQVIJQ-SNVBAGLBSA-N -1 0 332.278 2.968 10 30 EFEERM C=C(C)C[C@@H](NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000630546471 480774190 /nfs/dbraw/zinc/77/41/90/480774190.db2.gz RCBMULUETYIYPA-JKSUJKDBSA-N -1 0 348.399 2.785 10 30 EFEERM C=CCC(C)(C)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630651511 480820748 /nfs/dbraw/zinc/82/07/48/480820748.db2.gz SJVGTEWOEBGIKE-SJORKVTESA-N -1 0 344.455 2.823 10 30 EFEERM C=CC1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)CC1 ZINC000630662081 480827914 /nfs/dbraw/zinc/82/79/14/480827914.db2.gz 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/nfs/dbraw/zinc/99/38/58/1396993858.db2.gz HRWBTQDSBWBTQI-UHFFFAOYSA-N -1 0 326.356 2.797 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1c2ccccc2CC[C@H]1F ZINC001471503842 1397178968 /nfs/dbraw/zinc/17/89/68/1397178968.db2.gz NNMSFQYKVNIFBJ-GDBMZVCRSA-N -1 0 325.343 2.723 10 30 EFEERM CC(=O)c1cc(F)c([O-])c(NC(=O)COc2cccc(C#N)c2)c1 ZINC001471979726 1397229384 /nfs/dbraw/zinc/22/93/84/1397229384.db2.gz KVJIMARGCMVCGP-UHFFFAOYSA-N -1 0 328.299 2.623 10 30 EFEERM C=CCOc1cccnc1C(=O)Nc1cc(C(C)=O)cc(F)c1[O-] ZINC001471979650 1397229811 /nfs/dbraw/zinc/22/98/11/1397229811.db2.gz ICVVGGNJADNEOS-UHFFFAOYSA-N -1 0 330.315 2.946 10 30 EFEERM C#CCCCCC(=O)N(C)C1CCN(C(=O)c2ccccc2O)CC1 ZINC001726330466 1426270905 /nfs/dbraw/zinc/27/09/05/1426270905.db2.gz RUALMZANZCXKMX-UHFFFAOYSA-N -1 0 342.439 2.649 10 30 EFEERM Cc1c(Br)c[nH]c(=O)c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC001546332709 1413327519 /nfs/dbraw/zinc/32/75/19/1413327519.db2.gz LFZNEBYALDRQND-UHFFFAOYSA-N -1 0 348.156 2.688 10 30 EFEERM C=CCSCCNC(=O)c1cc(Br)c(F)cc1[O-] ZINC001556168957 1415057011 /nfs/dbraw/zinc/05/70/11/1415057011.db2.gz AELSFVFDHAPRJB-UHFFFAOYSA-N -1 0 334.210 2.943 10 30 EFEERM C=C(C)CO[N-]C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC001557326292 1415120708 /nfs/dbraw/zinc/12/07/08/1415120708.db2.gz PZELLPWJEYBAMZ-SFHVURJKSA-N -1 0 338.407 2.652 10 30 EFEERM C=C[C@@H](C)O[N-]C(=O)[C@]1(C)CC(c2cccc(Cl)c2F)=NO1 ZINC001557326999 1415121192 /nfs/dbraw/zinc/12/11/92/1415121192.db2.gz VPSIHMMHDWARKX-PSLIRLAXSA-N -1 0 326.755 2.985 10 30 EFEERM C=CCCO[N-]C(=O)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001557717571 1415139500 /nfs/dbraw/zinc/13/95/00/1415139500.db2.gz PCULUNTXMJVBMQ-UHFFFAOYSA-N -1 0 341.392 2.661 10 30 EFEERM C=C(C)C[C@@H](CO)NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001559028037 1415218956 /nfs/dbraw/zinc/21/89/56/1415218956.db2.gz XWWHGAGOBRSIMS-VIFPVBQESA-N -1 0 348.624 2.865 10 30 EFEERM Cc1n[nH]c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1[O-] ZINC001565631708 1415407355 /nfs/dbraw/zinc/40/73/55/1415407355.db2.gz WKDVXPKZIKIDBU-JTQLQIEISA-N -1 0 325.155 2.725 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC001566268042 1415537261 /nfs/dbraw/zinc/53/72/61/1415537261.db2.gz PFSWEVLKGCGNCU-UHFFFAOYSA-N -1 0 337.314 2.544 10 30 EFEERM Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])c(C)n1-c1cnn(C)c1 ZINC001567073033 1415924456 /nfs/dbraw/zinc/92/44/56/1415924456.db2.gz NBPTWDMECNKDTD-UHFFFAOYSA-N -1 0 335.367 2.657 10 30 EFEERM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cscc1C#N ZINC001567976213 1416349152 /nfs/dbraw/zinc/34/91/52/1416349152.db2.gz WWODNAGFRWSDHE-UHFFFAOYSA-N -1 0 325.353 2.671 10 30 EFEERM N#CC1(CS(=O)(=O)[N-]C(=O)CC2CCC(F)(F)CC2)CCCC1 ZINC001646035505 1416604573 /nfs/dbraw/zinc/60/45/73/1416604573.db2.gz OMBYCRURSJVLEA-UHFFFAOYSA-N -1 0 348.415 2.732 10 30 EFEERM N#Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000242823247 1419141667 /nfs/dbraw/zinc/14/16/67/1419141667.db2.gz FMBQFHJYPFXPAP-UHFFFAOYSA-N -1 0 333.394 2.614 10 30 EFEERM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(Nc2nnn[n-]2)c1 ZINC000912280555 1423942518 /nfs/dbraw/zinc/94/25/18/1423942518.db2.gz GXIKTZWLLWOLGI-SWLSCSKDSA-N -1 0 326.404 2.808 10 30 EFEERM C=CCCC[C@@H](C(=O)N(C)C[C@@H](C)c1nn[n-]n1)c1ccccc1 ZINC000907349679 1424949354 /nfs/dbraw/zinc/94/93/54/1424949354.db2.gz IYRQXAKAVNHLFX-GDBMZVCRSA-N -1 0 327.432 2.902 10 30 EFEERM C=CCCC[C@H](C(=O)N(C)C[C@@H](C)c1nn[n-]n1)c1ccccc1 ZINC000907349782 1426778505 /nfs/dbraw/zinc/77/85/05/1426778505.db2.gz IYRQXAKAVNHLFX-ZBFHGGJFSA-N -1 0 327.432 2.902 10 30 EFEERM COc1ccc(C=Nn2[n-]nnc2=Nc2cccc3ccccc32)cc1 ZINC001084397723 1446431970 /nfs/dbraw/zinc/43/19/70/1446431970.db2.gz JAYFECOKBVLZHA-UHFFFAOYSA-N -1 0 344.378 2.883 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)Nc2ccc(F)c([C@H](C)O)c2)cc1C#N ZINC000804795692 713470589 /nfs/dbraw/zinc/47/05/89/713470589.db2.gz WVEVTBNCBBJLIL-QMMMGPOBSA-N -1 0 347.371 2.825 10 30 EFEERM O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000048529337 713801846 /nfs/dbraw/zinc/80/18/46/713801846.db2.gz FMESHYMKGPRKBB-KHPPLWFESA-N -1 0 332.337 2.900 10 30 EFEERM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000077879579 714723332 /nfs/dbraw/zinc/72/33/32/714723332.db2.gz HPUXMNMQLKLMBS-NSHDSACASA-N -1 0 334.353 2.990 10 30 EFEERM Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)s1 ZINC000066002501 718022894 /nfs/dbraw/zinc/02/28/94/718022894.db2.gz ZJBQLSKWTPALLJ-UHFFFAOYSA-N -1 0 334.422 2.957 10 30 EFEERM CCc1nc(CC(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)cs1 ZINC000066002562 718023073 /nfs/dbraw/zinc/02/30/73/718023073.db2.gz INCIJFIDPUILSE-UHFFFAOYSA-N -1 0 349.437 2.606 10 30 EFEERM N#C[C@@]1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CCCOC1 ZINC000866862819 715226613 /nfs/dbraw/zinc/22/66/13/715226613.db2.gz LZRZMVLXEYPZOL-AWEZNQCLSA-N -1 0 328.290 2.574 10 30 EFEERM CCCCCNC(=O)C(C#N)=C([O-])c1cc(OC)c(OC)cc1C ZINC000119930705 715340619 /nfs/dbraw/zinc/34/06/19/715340619.db2.gz WEEMAUDUOKYPAW-CQSZACIVSA-N -1 0 332.400 2.641 10 30 EFEERM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)c(F)c1 ZINC000893481175 715937385 /nfs/dbraw/zinc/93/73/85/715937385.db2.gz APWFOJQEXMSPRB-UHFFFAOYSA-N -1 0 339.388 2.602 10 30 EFEERM CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)CCC1 ZINC000176762252 715957804 /nfs/dbraw/zinc/95/78/04/715957804.db2.gz VFRGQGZAQBZGHD-UHFFFAOYSA-N -1 0 334.441 2.721 10 30 EFEERM Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1S(C)(=O)=O ZINC000255742060 717460257 /nfs/dbraw/zinc/46/02/57/717460257.db2.gz QNWOXLNULXIECR-UHFFFAOYSA-N -1 0 334.353 2.763 10 30 EFEERM Cc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000178067532 718246028 /nfs/dbraw/zinc/24/60/28/718246028.db2.gz SYVSLGWZMALMGD-UHFFFAOYSA-N -1 0 348.811 2.780 10 30 EFEERM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)C1(Cl)CC1 ZINC000893236542 720151752 /nfs/dbraw/zinc/15/17/52/720151752.db2.gz GMWSVIRVCZHVJH-UHFFFAOYSA-N -1 0 331.846 2.753 10 30 EFEERM Cc1ccc(OCC(=O)[O-])c2c1[C@@H](C)/C(=C\c1cnn(C)c1)C2=O ZINC000024829225 720218037 /nfs/dbraw/zinc/21/80/37/720218037.db2.gz AHUDEDOQSHGUJG-HOVAHTAHSA-N -1 0 326.352 2.575 10 30 EFEERM CNC(=O)C(C#N)=C([O-])c1sc2nc(C(F)(F)F)ccc2c1C ZINC000123544700 720845271 /nfs/dbraw/zinc/84/52/71/720845271.db2.gz GCJOULWFTJGQBF-MRVPVSSYSA-N -1 0 341.314 2.692 10 30 EFEERM C=CCCC[C@@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)C(=O)OC ZINC000928318641 722169043 /nfs/dbraw/zinc/16/90/43/722169043.db2.gz DQIUDTOWIOKEFV-LLVKDONJSA-N -1 0 334.397 2.744 10 30 EFEERM CCCCS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000048554484 722636699 /nfs/dbraw/zinc/63/66/99/722636699.db2.gz FVOOPAVTJVMKKP-BXUZGUMPSA-N -1 0 338.429 2.716 10 30 EFEERM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)s2)cc1Cl ZINC000750739506 723516784 /nfs/dbraw/zinc/51/67/84/723516784.db2.gz ALVOZHDDEMXSTD-UHFFFAOYSA-N -1 0 340.813 2.700 10 30 EFEERM C=C(C)C[C@H](NCc1cc(Br)cc(F)c1[O-])C(=O)OC ZINC000895443478 724132299 /nfs/dbraw/zinc/13/22/99/724132299.db2.gz KYUBTKXYKMPURE-LBPRGKRZSA-N -1 0 346.196 2.891 10 30 EFEERM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000729148494 725463909 /nfs/dbraw/zinc/46/39/09/725463909.db2.gz BFHIJOFVRJOHEA-WXARJGPPSA-N -1 0 334.759 2.976 10 30 EFEERM Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000915687245 727117032 /nfs/dbraw/zinc/11/70/32/727117032.db2.gz RMIWEMQJPLGGTG-CQSZACIVSA-N -1 0 346.374 2.935 10 30 EFEERM CC1(C)C[C@]1(C#N)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000908299160 727157352 /nfs/dbraw/zinc/15/73/52/727157352.db2.gz MCLKAKDZGIZWDF-GFCCVEGCSA-N -1 0 344.159 2.744 10 30 EFEERM C=CCc1cc(C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)cc(OC)c1OC ZINC000908367629 727171034 /nfs/dbraw/zinc/17/10/34/727171034.db2.gz MZDVZWKHUKBFJU-SWLSCSKDSA-N -1 0 347.411 2.806 10 30 EFEERM C=CCn1ncc2ccc(NC(=O)N[C@@H](CCCC)C(=O)[O-])cc21 ZINC000908632446 727228979 /nfs/dbraw/zinc/22/89/79/727228979.db2.gz DGHTXUDXUSXTHL-AWEZNQCLSA-N -1 0 330.388 2.987 10 30 EFEERM C=CCn1ncc2ccc(NC(=O)N[C@](C)(CCC)C(=O)[O-])cc21 ZINC000908633341 727229142 /nfs/dbraw/zinc/22/91/42/727229142.db2.gz QOPVNKUSBKQLQT-QGZVFWFLSA-N -1 0 330.388 2.987 10 30 EFEERM C=C(C)COc1cccc(NC(=O)N2CCC[C@]2(COC)C(=O)[O-])c1 ZINC000908622594 727232945 /nfs/dbraw/zinc/23/29/45/727232945.db2.gz RYWFUYSSMVJNMB-SFHVURJKSA-N -1 0 348.399 2.739 10 30 EFEERM C=C(C)C[C@H](NC(=O)Nc1nc(CC(F)(F)F)cs1)C(=O)[O-] ZINC000908687294 727241752 /nfs/dbraw/zinc/24/17/52/727241752.db2.gz YWHADYOOFXXASD-QMMMGPOBSA-N -1 0 337.323 2.789 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NCC(C)(C)c1cccc(OC)c1)C(=O)[O-] ZINC000909053145 727314802 /nfs/dbraw/zinc/31/48/02/727314802.db2.gz FWVJVPPTDWSTPX-OAHLLOKOSA-N -1 0 334.416 2.691 10 30 EFEERM C=CCCOCCNC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000909116659 727325030 /nfs/dbraw/zinc/32/50/30/727325030.db2.gz FLBVGQZEUDJYJL-KRWDZBQOSA-N -1 0 342.395 2.857 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NC[C@H](c1cccnc1)C(C)C)C(=O)[O-] ZINC000909149574 727336892 /nfs/dbraw/zinc/33/68/92/727336892.db2.gz JBZIODQNFSSIGI-KBPBESRZSA-N -1 0 339.823 2.716 10 30 EFEERM C=C(C)[C@H](CC(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)[O-])OCC ZINC000909815021 727382907 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C=C(Cl)C[C@H](NC(=O)/C(C)=C/c1ccc(OC)c(F)c1)C(=O)[O-] ZINC000910271056 727425647 /nfs/dbraw/zinc/42/56/47/727425647.db2.gz MGZDJZNLYVHNJJ-PPGNKHEKSA-N -1 0 341.766 2.950 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)c1ccc2c(c1)CCCCC2=O)C(=O)[O-] ZINC000910271640 727425658 /nfs/dbraw/zinc/42/56/58/727425658.db2.gz QWXVQWBVCLJASS-CQSZACIVSA-N -1 0 335.787 2.921 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)Cc1cccc(OC/C=C\C)c1)C(=O)[O-] ZINC000910271972 727425682 /nfs/dbraw/zinc/42/56/82/727425682.db2.gz RIGUBOCWMOCUIZ-ABCZVMIZSA-N -1 0 337.803 2.896 10 30 EFEERM C=C(C)C[C@H](NC(=O)CNc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910288121 727427857 /nfs/dbraw/zinc/42/78/57/727427857.db2.gz WEHVFRNNRFBTOE-LBPRGKRZSA-N -1 0 330.306 2.653 10 30 EFEERM C=C(C)C[C@H](NC(=O)c1cc(Cl)c(O)c(OCC)c1)C(=O)[O-] ZINC000910291125 727430696 /nfs/dbraw/zinc/43/06/96/727430696.db2.gz DNZOPQGVEUJITH-NSHDSACASA-N -1 0 327.764 2.594 10 30 EFEERM C#CCC1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CCCCC1 ZINC000910393581 727438520 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ZINC000908751461 727256734 /nfs/dbraw/zinc/25/67/34/727256734.db2.gz MCSHUGVAQUZRCG-SJORKVTESA-N -1 0 345.443 2.542 10 30 EFEERM C=C(C)C[C@H](NC(=O)NCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000908770927 727260467 /nfs/dbraw/zinc/26/04/67/727260467.db2.gz AKKKRTGKTMXCMU-LBPRGKRZSA-N -1 0 330.306 2.924 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)NC[C@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000908888493 727282298 /nfs/dbraw/zinc/28/22/98/727282298.db2.gz SAAXWVCVBQFOSM-TVQRCGJNSA-N -1 0 328.771 2.824 10 30 EFEERM C=CCCC[C@H](NC(=O)NCCc1csc(C(C)C)n1)C(=O)[O-] ZINC000908917975 727282996 /nfs/dbraw/zinc/28/29/96/727282996.db2.gz GPVBKVKUPJLDPN-ZDUSSCGKSA-N -1 0 339.461 2.918 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)NCC(F)(F)c1ccccc1)C(=O)[O-] ZINC000909088546 727320338 /nfs/dbraw/zinc/32/03/38/727320338.db2.gz ITCCKQVBPUTONU-LLVKDONJSA-N -1 0 332.734 2.673 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NCC1(CCOC)CCCCC1)C(=O)[O-] ZINC000909105440 727329143 /nfs/dbraw/zinc/32/91/43/727329143.db2.gz HTFSOCPPRGCRHM-CQSZACIVSA-N -1 0 326.437 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727373455 /nfs/dbraw/zinc/37/34/55/727373455.db2.gz ZBIFVAYPZBZGPF-NSHDSACASA-N -1 0 339.438 2.586 10 30 EFEERM C#CC[C@H](NC(=O)[C@@H](OCC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000910049318 727408273 /nfs/dbraw/zinc/40/82/73/727408273.db2.gz VMVJXPPMDYJZAI-IRXDYDNUSA-N -1 0 329.396 2.527 10 30 EFEERM C=C(C)[C@@H](CC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)OCC ZINC000910233526 727420719 /nfs/dbraw/zinc/42/07/19/727420719.db2.gz NZJMWFXIBLNUIW-XHDPSFHLSA-N -1 0 339.363 2.987 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)/C=C\c1ccc(O)c(OCC)c1)C(=O)[O-] ZINC000910265105 727424955 /nfs/dbraw/zinc/42/49/55/727424955.db2.gz FJBTXKKOLOWTAJ-HWPRWLFBSA-N -1 0 339.775 2.516 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)CCCn1cnc2ccccc21)C(=O)[O-] ZINC000910265284 727424970 /nfs/dbraw/zinc/42/49/70/727424970.db2.gz CWEFGXPBLGGBIV-ZDUSSCGKSA-N -1 0 335.791 2.529 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)CCCc1ccc(O)c(F)c1)C(=O)[O-] ZINC000910267464 727425387 /nfs/dbraw/zinc/42/53/87/727425387.db2.gz SRZQPLJVCKDOST-LBPRGKRZSA-N -1 0 329.755 2.566 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)CCCc1ccc(O)c(F)c1)C(=O)[O-] ZINC000910267463 727425423 /nfs/dbraw/zinc/42/54/23/727425423.db2.gz SRZQPLJVCKDOST-GFCCVEGCSA-N -1 0 329.755 2.566 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)CCC[C@@H](O)c1ccccc1)C(=O)[O-] ZINC000910270291 727425554 /nfs/dbraw/zinc/42/55/54/727425554.db2.gz HFWQHNINAZAMCQ-ZIAGYGMSSA-N -1 0 325.792 2.602 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)[C@@H](C)c1cn(C)c2ccccc12)C(=O)[O-] ZINC000910271045 727425700 /nfs/dbraw/zinc/42/57/00/727425700.db2.gz MDYBVEJWMMGZLP-FZMZJTMJSA-N -1 0 334.803 2.994 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)[C@H](C)c1cn(C)c2ccccc12)C(=O)[O-] ZINC000910271047 727425769 /nfs/dbraw/zinc/42/57/69/727425769.db2.gz MDYBVEJWMMGZLP-RISCZKNCSA-N -1 0 334.803 2.994 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)Cc1c(C)cc(N(C)C)cc1C)C(=O)[O-] ZINC000910272096 727425891 /nfs/dbraw/zinc/42/58/91/727425891.db2.gz SEAYRZKNNCWOLG-OAHLLOKOSA-N -1 0 338.835 2.624 10 30 EFEERM C=C(C)C[C@H](NC(=O)c1cc(C)cc(Br)c1)C(=O)[O-] ZINC000910292923 727430882 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325.792 2.689 10 30 EFEERM C=CCCC[C@@H](NC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C(=O)[O-] ZINC000910918250 727472011 /nfs/dbraw/zinc/47/20/11/727472011.db2.gz JCWYZDDOFVNTOZ-OAHLLOKOSA-N -1 0 345.399 2.930 10 30 EFEERM C=CCCC[C@H](NC(=O)c1cccnc1N1CCCCC1)C(=O)[O-] ZINC000910916553 727472056 /nfs/dbraw/zinc/47/20/56/727472056.db2.gz YADJWYPAFYAKMS-HNNXBMFYSA-N -1 0 331.416 2.611 10 30 EFEERM N#CCc1cccc(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC000911038298 727488703 /nfs/dbraw/zinc/48/87/03/727488703.db2.gz YUMOZPZTXDMNMK-ZDUSSCGKSA-N -1 0 341.392 2.537 10 30 EFEERM COc1cc(/C=C/C(=O)c2scnc2C)ccc1OCC(=O)[O-] ZINC000915988531 727646028 /nfs/dbraw/zinc/64/60/28/727646028.db2.gz ZJTRTKJXVZGPNE-HWKANZROSA-N -1 0 333.365 2.820 10 30 EFEERM CCc1cccc2c1NC(=O)C2=N[N-]c1c(F)c(F)nc(F)c1F ZINC000733076010 727658328 /nfs/dbraw/zinc/65/83/28/727658328.db2.gz BBVWDRHANRRRAJ-UHFFFAOYSA-N -1 0 338.264 2.969 10 30 EFEERM C=CCOc1cccc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)c1 ZINC000057124059 728068337 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C=C(C)C[C@@H](NC(=O)NCCc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000630467316 480728866 /nfs/dbraw/zinc/72/88/66/480728866.db2.gz AEEQOUCBCZHSJL-OAHLLOKOSA-N -1 0 333.363 2.568 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000630469070 480730161 /nfs/dbraw/zinc/73/01/61/480730161.db2.gz WNGNIIZCFUOHSY-GFCCVEGCSA-N -1 0 330.306 2.924 10 30 EFEERM C=C(C)C[C@H](NC(=O)NCc1cc(Br)cs1)C(=O)[O-] ZINC000630471871 480732996 /nfs/dbraw/zinc/73/29/96/480732996.db2.gz HDXOIPPSLIUOAX-JTQLQIEISA-N -1 0 347.234 2.729 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NCCCCOc1ccc(F)cc1)C(=O)[O-] ZINC000630473525 480733364 /nfs/dbraw/zinc/73/33/64/480733364.db2.gz ZKYSXZIKSXHDGW-OAHLLOKOSA-N -1 0 338.379 2.703 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NCc1ccccc1OCC1CC1)C(=O)[O-] ZINC000630475419 480734540 /nfs/dbraw/zinc/73/45/40/480734540.db2.gz FZSDUUSKNDABLG-OAHLLOKOSA-N -1 0 332.400 2.694 10 30 EFEERM C=C(C)C[C@H](NC(=O)NCc1ccc(Cl)cc1OC)C(=O)[O-] ZINC000630476392 480734710 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10 30 EFEERM N#Cc1cccc([C@H]([N-]S(=O)(=O)CCC2CC2)C(F)(F)F)c1 ZINC000867898259 1304008447 /nfs/dbraw/zinc/00/84/47/1304008447.db2.gz CZOHLCLVHSTIHI-ZDUSSCGKSA-N -1 0 332.347 2.881 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]OC/C=C/Cl ZINC000868469139 1304309328 /nfs/dbraw/zinc/30/93/28/1304309328.db2.gz HOXYYDWPQXMVDE-BRAIEQGRSA-N -1 0 339.219 2.823 10 30 EFEERM C=C(C)CO[N-]C(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C ZINC000869153401 1304634489 /nfs/dbraw/zinc/63/44/89/1304634489.db2.gz SBEFFNXIBRGTKZ-OAHLLOKOSA-N -1 0 348.399 2.682 10 30 EFEERM C=C[C@@H](C)O[N-]C(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C ZINC000869154757 1304635270 /nfs/dbraw/zinc/63/52/70/1304635270.db2.gz XTADLJPEKQIEPN-IAQYHMDHSA-N -1 0 348.399 2.681 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCC1CCC1 ZINC000869306270 1304708978 /nfs/dbraw/zinc/70/89/78/1304708978.db2.gz YYKPOEILWWKWKG-GFCCVEGCSA-N -1 0 332.828 2.870 10 30 EFEERM CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000870112801 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C=CCOCCNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000679588075 549156568 /nfs/dbraw/zinc/15/65/68/549156568.db2.gz LIYDNDUVBVUQFH-UHFFFAOYSA-N -1 0 329.400 2.634 10 30 EFEERM O=[N+]([O-])c1ccc([O-])c(/C=N/CC[C@@H]2COc3ccccc3O2)c1 ZINC000764413753 576455813 /nfs/dbraw/zinc/45/58/13/576455813.db2.gz KYZVMDVAGNYWPR-YFEUJDIGSA-N -1 0 328.324 2.949 10 30 EFEERM Cc1cccc(C(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)c1Cl ZINC000755074807 575537981 /nfs/dbraw/zinc/53/79/81/575537981.db2.gz AVJLXEHSDSEIRU-UHFFFAOYSA-N -1 0 348.811 2.947 10 30 EFEERM COc1ccc(CNC(=O)c2cc(F)c(F)c([O-])c2F)cc1C#N ZINC000755557386 575602009 /nfs/dbraw/zinc/60/20/09/575602009.db2.gz ITQWUTIEOSNJIF-UHFFFAOYSA-N -1 0 336.269 2.620 10 30 EFEERM C[C@@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000755582480 575603930 /nfs/dbraw/zinc/60/39/30/575603930.db2.gz NZSAOQZOPQQJGX-ZDUSSCGKSA-N -1 0 336.457 2.967 10 30 EFEERM COC(=O)c1ccc(NN=Cc2cc(F)c([O-])c(F)c2)c(OC)c1 ZINC000756897736 575798265 /nfs/dbraw/zinc/79/82/65/575798265.db2.gz 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575921861 /nfs/dbraw/zinc/92/18/61/575921861.db2.gz IYDQNLVZOUPOCM-GFCCVEGCSA-N -1 0 349.312 2.868 10 30 EFEERM CCc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)cc1 ZINC000760387208 576016531 /nfs/dbraw/zinc/01/65/31/576016531.db2.gz AQCKYGQXHULSQH-UHFFFAOYSA-N -1 0 334.441 2.783 10 30 EFEERM CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000760389645 576016902 /nfs/dbraw/zinc/01/69/02/576016902.db2.gz LAZQCIXECTZJRT-CYBMUJFWSA-N -1 0 326.462 2.733 10 30 EFEERM N#CC1(CS(=O)(=O)[N-]C(=O)C2CCC(F)(F)CC2)CCCCC1 ZINC000760388914 576016914 /nfs/dbraw/zinc/01/69/14/576016914.db2.gz HCKGEWIAEYFGNU-UHFFFAOYSA-N -1 0 348.415 2.732 10 30 EFEERM CCCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)CCC1 ZINC000760400719 576018115 /nfs/dbraw/zinc/01/81/15/576018115.db2.gz OMWJKRHFFZPMNX-UHFFFAOYSA-N -1 0 326.462 2.877 10 30 EFEERM C[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000760401467 576018194 /nfs/dbraw/zinc/01/81/94/576018194.db2.gz JOEMPBBCXZKDOY-OAHLLOKOSA-N -1 0 348.468 2.785 10 30 EFEERM 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723881092 /nfs/dbraw/zinc/88/10/92/723881092.db2.gz KWFYYBADGGSDLW-UHFFFAOYSA-N -1 0 348.156 2.859 10 30 EFEERM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc3sccc3s2)c1 ZINC000918484467 728881721 /nfs/dbraw/zinc/88/17/21/728881721.db2.gz ZPNNWUVEPGQZRG-UHFFFAOYSA-N -1 0 348.430 2.953 10 30 EFEERM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000152765917 726251752 /nfs/dbraw/zinc/25/17/52/726251752.db2.gz KSLBKLKEXAMNRH-UHFFFAOYSA-N -1 0 345.211 2.708 10 30 EFEERM C=CCC[C@H](NC(=O)NCc1cccc(Cl)c1OC)C(=O)[O-] ZINC000929020894 726270744 /nfs/dbraw/zinc/27/07/44/726270744.db2.gz BJSAPRIZIMXMOM-LBPRGKRZSA-N -1 0 326.780 2.567 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)N[C@H](CCC)c1ccccn1)C(=O)[O-] ZINC000929027938 726331742 /nfs/dbraw/zinc/33/17/42/726331742.db2.gz FZNJYVFXCBOIOX-CHWSQXEVSA-N -1 0 325.796 2.818 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)N[C@@H](CCC)c1ccccn1)C(=O)[O-] ZINC000929027947 726331743 /nfs/dbraw/zinc/33/17/43/726331743.db2.gz FZNJYVFXCBOIOX-STQMWFEESA-N -1 0 325.796 2.818 10 30 EFEERM 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C=CCCC[C@H](NC(=O)NCc1ccc2c(n1)CCCC2)C(=O)[O-] ZINC000909066183 727317827 /nfs/dbraw/zinc/31/78/27/727317827.db2.gz NCYKOSLOLLUXSY-INIZCTEOSA-N -1 0 331.416 2.569 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NC[C@@H]1CCCN(c2ccccc2)C1)C(=O)[O-] ZINC000909099582 727322618 /nfs/dbraw/zinc/32/26/18/727322618.db2.gz ZDZCDMMMZJWBCA-DOTOQJQBSA-N -1 0 345.443 2.622 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NCC1(CCOC)CCCCC1)C(=O)[O-] ZINC000909105987 727329248 /nfs/dbraw/zinc/32/92/48/727329248.db2.gz PNAVWSYVSKADHZ-ZDUSSCGKSA-N -1 0 346.855 2.868 10 30 EFEERM C=CCCC[C@@H](NC(=O)NC[C@H]1CC12CCSCC2)C(=O)[O-] ZINC000909108930 727330057 /nfs/dbraw/zinc/33/00/57/727330057.db2.gz KOZGHZHUDWFBHB-CHWSQXEVSA-N -1 0 326.462 2.628 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)NCc1c(F)cccc1SC)C(=O)[O-] ZINC000909148393 727336511 /nfs/dbraw/zinc/33/65/11/727336511.db2.gz LENCQPDZCFUGME-LLVKDONJSA-N -1 0 346.811 2.943 10 30 EFEERM C=CCC[C@@H](NC(=O)c1ccc2c(c1)nc(C(F)F)n2C)C(=O)[O-] ZINC000909717371 727368124 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C=CCC[C@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)C(=O)[O-] ZINC000630484975 480742138 /nfs/dbraw/zinc/74/21/38/480742138.db2.gz NOFSHZCDGFYQKL-BYNSBNAKSA-N -1 0 334.803 2.697 10 30 EFEERM C=C(C)C[C@H](NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000630546469 480773443 /nfs/dbraw/zinc/77/34/43/480773443.db2.gz RCBMULUETYIYPA-HOTGVXAUSA-N -1 0 348.399 2.785 10 30 EFEERM C=CCOc1cccc(NC(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])c1 ZINC000630546816 480773747 /nfs/dbraw/zinc/77/37/47/480773747.db2.gz VPUROZHWYDAFJM-XJKSGUPXSA-N -1 0 348.399 2.643 10 30 EFEERM C=C(C)C[C@@H](NC(=O)Nc1ccc2c(cnn2C(F)F)c1)C(=O)[O-] ZINC000630548032 480775134 /nfs/dbraw/zinc/77/51/34/480775134.db2.gz SHJQNOICJFCERO-LLVKDONJSA-N -1 0 338.314 2.972 10 30 EFEERM C=C(C)CN(CC)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630650678 480820227 /nfs/dbraw/zinc/82/02/27/480820227.db2.gz PJTNXLHEPQCYAW-IRXDYDNUSA-N -1 0 330.428 2.529 10 30 EFEERM C=CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630671673 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727311665 /nfs/dbraw/zinc/31/16/65/727311665.db2.gz ALEKWAGEZFOCOR-GJZGRUSLSA-N -1 0 338.448 2.692 10 30 EFEERM C=CCC1(CNC(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])CCCC1 ZINC000909024230 727311725 /nfs/dbraw/zinc/31/17/25/727311725.db2.gz ALEKWAGEZFOCOR-CABCVRRESA-N -1 0 338.448 2.692 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NC1CCC(O)(c2ccccc2)CC1)C(=O)[O-] ZINC000909057924 727315563 /nfs/dbraw/zinc/31/55/63/727315563.db2.gz YIQZHVSSQSCEGD-KOHRHEQBSA-N -1 0 346.427 2.535 10 30 EFEERM C=C(C)C[C@H](NC(=O)NCc1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000909059708 727316172 /nfs/dbraw/zinc/31/61/72/727316172.db2.gz ODPZPZVWWQMMIW-NSHDSACASA-N -1 0 346.305 2.646 10 30 EFEERM C=CCCC[C@@H](NC(=O)NCc1ccc2c(n1)CCCC2)C(=O)[O-] ZINC000909066184 727317915 /nfs/dbraw/zinc/31/79/15/727317915.db2.gz NCYKOSLOLLUXSY-MRXNPFEDSA-N -1 0 331.416 2.569 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NCCc1ccc(SC)cc1)C(=O)[O-] ZINC000909078640 727323919 /nfs/dbraw/zinc/32/39/19/727323919.db2.gz JGMFFIMDWXSKTM-ZDUSSCGKSA-N -1 0 342.848 2.846 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NCc1nc(C(C)C)cs1)C(=O)[O-] ZINC000909110480 727330527 /nfs/dbraw/zinc/33/05/27/727330527.db2.gz GMIFVKSCRFMJEI-VIFPVBQESA-N -1 0 331.825 2.662 10 30 EFEERM C=C(C)C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(OCC)cc1)C(=O)[O-] ZINC000909215552 727345998 /nfs/dbraw/zinc/34/59/98/727345998.db2.gz IQTUOVXRDIILKP-XHSDSOJGSA-N -1 0 332.400 2.660 10 30 EFEERM C#Cc1cncc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c1 ZINC000909789982 727378539 /nfs/dbraw/zinc/37/85/39/727378539.db2.gz NUHSJPOJQDDQNV-APWZRJJASA-N -1 0 348.402 2.756 10 30 EFEERM C=CC[C@@H](C(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-])c1ccccc1 ZINC000909897161 727394310 /nfs/dbraw/zinc/39/43/10/727394310.db2.gz ZZIBDGHXCTZUBB-HZPDHXFCSA-N -1 0 331.412 2.875 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)C[C@H](c1ccc(O)cc1)C1CC1)C(=O)[O-] ZINC000910270805 727425580 /nfs/dbraw/zinc/42/55/80/727425580.db2.gz JTYWYOYNQFDPGI-GJZGRUSLSA-N -1 0 337.803 2.988 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)[C@H](C)c1cn(C)c2ccccc12)C(=O)[O-] ZINC000910271043 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COCCCNC(=O)C(C#N)=C([O-])c1cc2cc(Cl)ccc2o1 ZINC000125132453 715985367 /nfs/dbraw/zinc/98/53/67/715985367.db2.gz KKKDNGYCYSRZMQ-LBPRGKRZSA-N -1 0 334.759 2.561 10 30 EFEERM CCC(CC)S(=O)(=O)[N-]C(=O)c1sc([C@@H](C)OC)nc1C ZINC000079153392 723587145 /nfs/dbraw/zinc/58/71/45/723587145.db2.gz JPYAZXFGLZMYQP-SECBINFHSA-N -1 0 334.463 2.982 10 30 EFEERM CCOc1ccccc1CCC(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000052794373 716610303 /nfs/dbraw/zinc/61/03/03/716610303.db2.gz BUEJJUHNIHVXRF-UHFFFAOYSA-N -1 0 340.445 2.705 10 30 EFEERM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000077880267 718636051 /nfs/dbraw/zinc/63/60/51/718636051.db2.gz WMZGVGJDHMCCBZ-SNVBAGLBSA-N -1 0 349.368 2.573 10 30 EFEERM C=CCC1(S(=O)(=O)[N-]C(=O)CC(C)(C)CC(F)(F)F)CC1 ZINC000893033760 719499533 /nfs/dbraw/zinc/49/95/33/719499533.db2.gz HMDYFAKVXWRNMI-UHFFFAOYSA-N -1 0 327.368 2.910 10 30 EFEERM Cc1ccc(C(C)C)cc1OCC(=O)C(C#N)=C([O-])c1nccn1C ZINC000122983411 720454814 /nfs/dbraw/zinc/45/48/14/720454814.db2.gz 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724018002 /nfs/dbraw/zinc/01/80/02/724018002.db2.gz BCNUXTKZAKUJKJ-OAHLLOKOSA-N -1 0 345.443 2.592 10 30 EFEERM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000907048886 726854129 /nfs/dbraw/zinc/85/41/29/726854129.db2.gz MTHOKXBSFFKAAM-OKILXGFUSA-N -1 0 335.425 2.873 10 30 EFEERM C#C[C@@H](CCC)NC(=O)C(F)(F)c1ncccc1Br ZINC000907706629 726996909 /nfs/dbraw/zinc/99/69/09/726996909.db2.gz FKJQUCMVINEDGZ-VIFPVBQESA-N -1 0 331.160 2.854 10 30 EFEERM C=CC[C@@H](C(=O)N[C@H](C)C1(C(=O)[O-])CCOCC1)c1ccccc1 ZINC000907918961 727053677 /nfs/dbraw/zinc/05/36/77/727053677.db2.gz HNYMBVBIKIFONM-GDBMZVCRSA-N -1 0 331.412 2.732 10 30 EFEERM C=CCn1ncc2ccc(NC(=O)N[C@@H](CC3CC3)C(=O)[O-])cc21 ZINC000908633280 727229086 /nfs/dbraw/zinc/22/90/86/727229086.db2.gz OFQLGTUGFSDBAG-AWEZNQCLSA-N -1 0 328.372 2.597 10 30 EFEERM C=CCn1ncc2ccc(NC(=O)NC3(C(=O)[O-])CCCC3)cc21 ZINC000908633319 727229090 /nfs/dbraw/zinc/22/90/90/727229090.db2.gz PUCRCSAFNHTIAD-UHFFFAOYSA-N -1 0 328.372 2.741 10 30 EFEERM C=CCn1ncc2ccc(NC(=O)N[C@@](C)(C(=O)[O-])C3CC3)cc21 ZINC000908633044 727229116 /nfs/dbraw/zinc/22/91/16/727229116.db2.gz LGTGZWJGTFBVMY-QGZVFWFLSA-N -1 0 328.372 2.597 10 30 EFEERM C=CCn1ncc2ccc(NC(=O)N([C@@H](C)C(=O)[O-])C3CC3)cc21 ZINC000908633569 727229222 /nfs/dbraw/zinc/22/92/22/727229222.db2.gz VUXXTQJEDMGOMP-NSHDSACASA-N -1 0 328.372 2.692 10 30 EFEERM C=C(C)C[C@@H](NC(=O)Nc1nc(CC(F)(F)F)cs1)C(=O)[O-] ZINC000908687290 727241790 /nfs/dbraw/zinc/24/17/90/727241790.db2.gz YWHADYOOFXXASD-MRVPVSSYSA-N -1 0 337.323 2.789 10 30 EFEERM C=CC(C)(C)CCNC(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC000908717029 727250831 /nfs/dbraw/zinc/25/08/31/727250831.db2.gz FSBXXDSRCNOWDR-HNNXBMFYSA-N -1 0 332.400 2.819 10 30 EFEERM C=CCN(CCc1ccccc1)C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC000908759170 727258071 /nfs/dbraw/zinc/25/80/71/727258071.db2.gz AEEPZDYYFLWNIY-UHFFFAOYSA-N -1 0 341.411 2.619 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NCCc1csc(C(C)C)n1)C(=O)[O-] ZINC000908917437 727282770 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C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000870833024 1305614822 /nfs/dbraw/zinc/61/48/22/1305614822.db2.gz JQZGXRJWLQHBFF-ZJUUUORDSA-N -1 0 325.352 2.520 10 30 EFEERM C=CC1(S(=O)(=O)[N-]C(=O)c2ccc(C)c(Br)c2)CC1 ZINC000870834480 1305615774 /nfs/dbraw/zinc/61/57/74/1305615774.db2.gz FPKTTWWXPGUHBX-UHFFFAOYSA-N -1 0 344.230 2.536 10 30 EFEERM C=CC1(S(=O)(=O)[N-]C(=O)/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000870833950 1305616065 /nfs/dbraw/zinc/61/60/65/1305616065.db2.gz LDGPAFGKVVBATC-KHPPLWFESA-N -1 0 325.817 2.908 10 30 EFEERM C=CC1(S(=O)(=O)[N-]C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000870835880 1305617509 /nfs/dbraw/zinc/61/75/09/1305617509.db2.gz MIWOYYVBPQZOEP-UHFFFAOYSA-N -1 0 337.294 2.623 10 30 EFEERM C=CC1(S(=O)(=O)[N-]C(=O)c2c(CC)onc2-c2ccccc2)CC1 ZINC000870836835 1305617794 /nfs/dbraw/zinc/61/77/94/1305617794.db2.gz OHQFDZMQVODUAI-UHFFFAOYSA-N -1 0 346.408 2.682 10 30 EFEERM C=CC1(S(=O)(=O)[N-]C(=O)CCc2cccc3ccccc32)CC1 ZINC000870840321 1305620625 /nfs/dbraw/zinc/62/06/25/1305620625.db2.gz MRGRFFKNQODXRP-UHFFFAOYSA-N -1 0 329.421 2.937 10 30 EFEERM CC(C)c1occc1C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000796608390 1306758059 /nfs/dbraw/zinc/75/80/59/1306758059.db2.gz JUXSZGLTCUFNHO-UHFFFAOYSA-N -1 0 332.381 2.534 10 30 EFEERM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2coc3cc(F)ccc32)c1 ZINC000796625812 1306962344 /nfs/dbraw/zinc/96/23/44/1306962344.db2.gz LKXLALXGTJUHKY-UHFFFAOYSA-N -1 0 344.323 2.562 10 30 EFEERM C=CCC1(C(=O)[N-]S(=O)(=O)c2cc(C)cc(C)c2OC)CCC1 ZINC000800414798 1307811467 /nfs/dbraw/zinc/81/14/67/1307811467.db2.gz DAWJGGORFRENPS-UHFFFAOYSA-N -1 0 337.441 2.863 10 30 EFEERM C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000800416721 1307814363 /nfs/dbraw/zinc/81/43/63/1307814363.db2.gz SMGDNNBPZKZWGJ-ZDUSSCGKSA-N -1 0 325.430 2.719 10 30 EFEERM O=C([O-])CCCOc1ccc(C(=O)/C=C/c2cnn(CCF)c2)cc1 ZINC000901426593 1310461668 /nfs/dbraw/zinc/46/16/68/1310461668.db2.gz MRGNGFGMUUWLDS-FPYGCLRLSA-N -1 0 346.358 2.992 10 30 EFEERM Cn1nc2c(c1/C=C/C(=O)c1csc(C(=O)[O-])c1)CSCC2 ZINC000901473347 1310541476 /nfs/dbraw/zinc/54/14/76/1310541476.db2.gz DPAAZXATXBZFQN-NSCUHMNNSA-N -1 0 334.422 2.865 10 30 EFEERM O=C(/C=C\c1cn(C[C@H]2CCOC2)nn1)c1ccc([O-])cc1Cl ZINC000901579094 1310692459 /nfs/dbraw/zinc/69/24/59/1310692459.db2.gz PCOBDYWTKUAEIJ-PNDGHQIGSA-N -1 0 333.775 2.570 10 30 EFEERM COc1cc(C#N)ccc1[N-]S(=O)(=O)CC1Cc2ccccc2C1 ZINC000901658055 1310836392 /nfs/dbraw/zinc/83/63/92/1310836392.db2.gz WFDKMVMQJXGMJN-UHFFFAOYSA-N -1 0 342.420 2.724 10 30 EFEERM CC1(C)CCC[C@H](CS(=O)(=O)[N-]c2ccc(F)cc2C#N)O1 ZINC000901665126 1310847361 /nfs/dbraw/zinc/84/73/61/1310847361.db2.gz GDPHNLOZSPRJIC-CYBMUJFWSA-N -1 0 326.393 2.787 10 30 EFEERM Cn1cc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)c(C2CC2)n1 ZINC000901668641 1310858516 /nfs/dbraw/zinc/85/85/16/1310858516.db2.gz HDEXBWREYCDWOH-UHFFFAOYSA-N -1 0 330.413 2.554 10 30 EFEERM CC(C)n1cc(Cl)c([N-]S(=O)(=O)c2ccsc2C#N)n1 ZINC000901712802 1310925528 /nfs/dbraw/zinc/92/55/28/1310925528.db2.gz HOLDQASMVJYKLQ-UHFFFAOYSA-N -1 0 330.822 2.851 10 30 EFEERM Cn1nc2c(c1S(=O)(=O)[N-]c1ccc(CCC#N)cc1)CCCC2 ZINC000901740631 1310971536 /nfs/dbraw/zinc/97/15/36/1310971536.db2.gz MIYGDCCYCSSHGW-UHFFFAOYSA-N -1 0 344.440 2.556 10 30 EFEERM N#Cc1cc(F)cc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2)c1 ZINC000901766995 1311019483 /nfs/dbraw/zinc/01/94/83/1311019483.db2.gz XQEUWSFQCVEHQE-UHFFFAOYSA-N -1 0 334.376 2.810 10 30 EFEERM N#CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000901772187 1311025179 /nfs/dbraw/zinc/02/51/79/1311025179.db2.gz JETYODDLPQRYPX-VIFPVBQESA-N -1 0 330.690 2.602 10 30 EFEERM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccnn1C1CCC1 ZINC000901895373 1311164384 /nfs/dbraw/zinc/16/43/84/1311164384.db2.gz LUWRIHSMXQFCPZ-UHFFFAOYSA-N -1 0 349.387 2.560 10 30 EFEERM C=CCn1ncc2ccc([N-]S(=O)(=O)c3cn(C(C)C)cn3)cc21 ZINC000901954961 1311237420 /nfs/dbraw/zinc/23/74/20/1311237420.db2.gz XHYRYHRSMASYPC-UHFFFAOYSA-N -1 0 345.428 2.801 10 30 EFEERM C=CCn1cc2ccc([N-]S(=O)(=O)c3cn(C(C)C)cn3)cc2n1 ZINC000901964777 1311251195 /nfs/dbraw/zinc/25/11/95/1311251195.db2.gz CRAJCIZRFKNYLK-UHFFFAOYSA-N -1 0 345.428 2.801 10 30 EFEERM C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC[C@@H]1C(=O)[O-] ZINC000902175791 1311509855 /nfs/dbraw/zinc/50/98/55/1311509855.db2.gz FSUODYHCBWICHU-PBHICJAKSA-N -1 0 340.423 2.939 10 30 EFEERM C#C[C@@H](C)[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902923959 1312213367 /nfs/dbraw/zinc/21/33/67/1312213367.db2.gz VFFPDSWWQDULTG-ZCFIWIBFSA-N -1 0 326.652 2.984 10 30 EFEERM CO[C@H](CS(=O)(=O)[N-]c1cc(C#N)cc(C)n1)c1ccc(F)cc1 ZINC000903141464 1312401519 /nfs/dbraw/zinc/40/15/19/1312401519.db2.gz SWSVZYGKTQZYPR-OAHLLOKOSA-N -1 0 349.387 2.530 10 30 EFEERM Cc1cccc(S(=O)(=O)[N-]c2ccnn2CC2CCC2)c1C#N ZINC000903197538 1312452575 /nfs/dbraw/zinc/45/25/75/1312452575.db2.gz QJRAXQGTTKPRJR-UHFFFAOYSA-N -1 0 330.413 2.664 10 30 EFEERM COc1ccccc1CO[N-]C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000803357802 1312545992 /nfs/dbraw/zinc/54/59/92/1312545992.db2.gz XRMQFSBSFWJOAT-UHFFFAOYSA-N -1 0 340.354 2.986 10 30 EFEERM C=C(C)[C@@H](CO)Sc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1 ZINC001164622179 1312552430 /nfs/dbraw/zinc/55/24/30/1312552430.db2.gz QZOAAKIFQDBDNQ-CQSZACIVSA-N -1 0 343.408 2.759 10 30 EFEERM C=C(C)Cn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001263319809 1316530163 /nfs/dbraw/zinc/53/01/63/1316530163.db2.gz CRPZFCGDROAWGK-AWEZNQCLSA-N -1 0 344.463 2.833 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)CCCCc1cccc(O)c1)C(=O)[O-] ZINC001263631494 1316552612 /nfs/dbraw/zinc/55/26/12/1316552612.db2.gz QSSCZHZZICUTBD-CQSZACIVSA-N -1 0 325.792 2.817 10 30 EFEERM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1sccc1CC#N ZINC001264363330 1316605079 /nfs/dbraw/zinc/60/50/79/1316605079.db2.gz XPZHFMSYZUGKPS-UHFFFAOYSA-N -1 0 344.421 2.797 10 30 EFEERM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001264907549 1316673530 /nfs/dbraw/zinc/67/35/30/1316673530.db2.gz WGLGENZYBAZGNG-UHFFFAOYSA-N -1 0 348.362 2.700 10 30 EFEERM COc1ccc2nc(NC(=O)c3[n-]c(=O)c(C#N)cc3C)sc2c1 ZINC001290299560 1321896712 /nfs/dbraw/zinc/89/67/12/1321896712.db2.gz GLMZVWKCKOHQHI-UHFFFAOYSA-N -1 0 340.364 2.838 10 30 EFEERM CC(C)CO[N-]C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001306822231 1321897013 /nfs/dbraw/zinc/89/70/13/1321897013.db2.gz WEGZGQXSIAGOBG-CYBMUJFWSA-N -1 0 327.425 2.667 10 30 EFEERM N#Cc1cccc(COc2cccc(NC(=O)c3c[n-]ncc3=O)c2)c1 ZINC001290948140 1321972032 /nfs/dbraw/zinc/97/20/32/1321972032.db2.gz AZQGTTMRJGWASR-UHFFFAOYSA-N -1 0 346.346 2.885 10 30 EFEERM C=CCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC001291849406 1322017903 /nfs/dbraw/zinc/01/79/03/1322017903.db2.gz HLRYJRFXAJPMRJ-UHFFFAOYSA-N -1 0 332.306 2.839 10 30 EFEERM COc1cccc2cc(CNC(=O)c3[n-]c(=O)c(C#N)cc3C)oc21 ZINC001292734196 1322111296 /nfs/dbraw/zinc/11/12/96/1322111296.db2.gz UNKVDVTVARXDPC-UHFFFAOYSA-N -1 0 337.335 2.652 10 30 EFEERM C=CCO[N-]C(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1 ZINC001297989702 1323404097 /nfs/dbraw/zinc/40/40/97/1323404097.db2.gz BYQGJFYGVNVGCT-GFCCVEGCSA-N -1 0 338.205 2.516 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1nc(-c2cccs2)ns1 ZINC001298832809 1323618208 /nfs/dbraw/zinc/61/82/08/1323618208.db2.gz ULYIZVKZEAPZDI-UHFFFAOYSA-N -1 0 343.393 2.800 10 30 EFEERM COc1cccc(CO[C@@H](C)C(=O)[N-]Oc2cccc(C#N)c2)c1 ZINC001302372101 1324575640 /nfs/dbraw/zinc/57/56/40/1324575640.db2.gz USGVMWMLEIPLMX-ZDUSSCGKSA-N -1 0 326.352 2.582 10 30 EFEERM N#Cc1cccc(O[N-]C(=O)[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC001302373684 1324576475 /nfs/dbraw/zinc/57/64/75/1324576475.db2.gz KCLXVWFURBPJEQ-CQSZACIVSA-N -1 0 325.343 2.634 10 30 EFEERM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001309676783 1324881120 /nfs/dbraw/zinc/88/11/20/1324881120.db2.gz FVBJDHMARKWLAT-WCQYABFASA-N -1 0 340.401 2.714 10 30 EFEERM C#CC1(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CCCC1 ZINC001309798283 1324886686 /nfs/dbraw/zinc/88/66/86/1324886686.db2.gz XPEDGSYXULCBNH-UHFFFAOYSA-N -1 0 333.331 2.635 10 30 EFEERM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC001309820122 1324887947 /nfs/dbraw/zinc/88/79/47/1324887947.db2.gz BBHPFISZXDQGMU-KYZUINATSA-N -1 0 335.322 2.713 10 30 EFEERM CCN(CC[N-]C(=O)C(F)F)Cc1c(F)c(F)c(F)c(F)c1F ZINC001317474959 1328060187 /nfs/dbraw/zinc/06/01/87/1328060187.db2.gz FJRSKJDKEDUFPX-UHFFFAOYSA-N -1 0 346.246 2.585 10 30 EFEERM C=CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC001322603068 1329471302 /nfs/dbraw/zinc/47/13/02/1329471302.db2.gz WBQUAHWNUCVYCZ-SRVKXCTJSA-N -1 0 343.301 2.834 10 30 EFEERM C=C(C)C(C)(C)C(=O)Nc1ncc(S(=O)(=O)NC(C)(C)C)s1 ZINC001331494600 1330843846 /nfs/dbraw/zinc/84/38/46/1330843846.db2.gz ZPZATRJQHBSJSJ-UHFFFAOYSA-N -1 0 345.490 2.761 10 30 EFEERM C=CC[C@@H](NC(=O)NCCc1c[nH]c2c1cccc2Cl)C(=O)[O-] ZINC001331845548 1330880458 /nfs/dbraw/zinc/88/04/58/1330880458.db2.gz LJRQCWFOKQQEKR-CYBMUJFWSA-N -1 0 335.791 2.692 10 30 EFEERM C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001338992746 1331766557 /nfs/dbraw/zinc/76/65/57/1331766557.db2.gz NHNQCRRVKXDYOX-CYBMUJFWSA-N -1 0 338.415 2.768 10 30 EFEERM C=CCn1c(-c2nc(Cl)n[nH]2)nnc1N1Cc2ccccc2[C@H]1C ZINC001339212758 1331818816 /nfs/dbraw/zinc/81/88/16/1331818816.db2.gz ZFGCSZPRQXEDJT-SNVBAGLBSA-N -1 0 341.806 2.984 10 30 EFEERM C=CCCC1(CNC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)CCCC1 ZINC001339823687 1332104824 /nfs/dbraw/zinc/10/48/24/1332104824.db2.gz XOPJIDURUZHQSO-GOSISDBHSA-N -1 0 338.448 2.646 10 30 EFEERM C#C[C@@H](NC(=O)NC[C@@H](CC)C(=O)[O-])c1ccc(Cl)cc1F ZINC001340566071 1332198001 /nfs/dbraw/zinc/19/80/01/1332198001.db2.gz AGUPMIJLMUCIHM-NOZJJQNGSA-N -1 0 326.755 2.563 10 30 EFEERM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H](C(C)C)C1 ZINC001342248694 1332323701 /nfs/dbraw/zinc/32/37/01/1332323701.db2.gz VGARLINWZZMSNQ-CQSZACIVSA-N -1 0 344.463 2.926 10 30 EFEERM C=CCNC(=O)C(C#N)=C([O-])c1ccc(Br)c(CC)c1 ZINC001343589205 1332360225 /nfs/dbraw/zinc/36/02/25/1332360225.db2.gz CECPSIFPZXJOLW-LBPRGKRZSA-N -1 0 335.201 2.636 10 30 EFEERM N#CC(C(=O)COC1CC1)=C([O-])c1sccc1Br ZINC001343955114 1332393459 /nfs/dbraw/zinc/39/34/59/1332393459.db2.gz WKDSUZUGMWERIR-MRVPVSSYSA-N -1 0 328.187 2.581 10 30 EFEERM C=CC[C@H](NC(=O)c1c[nH]c2cccc(Br)c12)C(=O)[O-] ZINC001344553857 1332462863 /nfs/dbraw/zinc/46/28/63/1332462863.db2.gz VLQJYWWXGHTSIB-NSHDSACASA-N -1 0 337.173 2.690 10 30 EFEERM CC(=O)c1cncc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c1 ZINC001346450548 1332642670 /nfs/dbraw/zinc/64/26/70/1332642670.db2.gz QBSSPUKKDPJISG-QGZVFWFLSA-N -1 0 332.359 2.908 10 30 EFEERM COCCCOc1ccc(C([O-])=C(C#N)c2ncc(F)cc2F)cn1 ZINC001347993200 1332791226 /nfs/dbraw/zinc/79/12/26/1332791226.db2.gz MSESLKDXZUIQNZ-CYBMUJFWSA-N -1 0 347.321 2.660 10 30 EFEERM COCCCOc1ccc(C([O-])=C(C#N)c2ncc(F)cc2F)cn1 ZINC001347993216 1332791330 /nfs/dbraw/zinc/79/13/30/1332791330.db2.gz MSESLKDXZUIQNZ-ZDUSSCGKSA-N -1 0 347.321 2.660 10 30 EFEERM N#CCCCC[C@@H](N)c1nc(C2(c3ccc(C(=O)[O-])cc3)CC2)no1 ZINC001349844371 1333005016 /nfs/dbraw/zinc/00/50/16/1333005016.db2.gz DCRWDQFDVVMQSQ-CQSZACIVSA-N -1 0 340.383 2.931 10 30 EFEERM C=CCCC[C@@H](C(=O)N1CC[C@@H](c2nnn[n-]2)C1)c1ccccc1 ZINC001350225594 1333051012 /nfs/dbraw/zinc/05/10/12/1333051012.db2.gz VLLMOJRBUAWUKH-HZPDHXFCSA-N -1 0 325.416 2.656 10 30 EFEERM C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCC[C@@H](C2CCC2)C1 ZINC001351761334 1333282325 /nfs/dbraw/zinc/28/23/25/1333282325.db2.gz UXZDUAPHEPOTPE-CQSZACIVSA-N -1 0 342.447 2.587 10 30 EFEERM C=CCn1c(-c2nc(Cl)n[nH]2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001352094430 1333382941 /nfs/dbraw/zinc/38/29/41/1333382941.db2.gz YANAMWOMMIBAMG-MNOVXSKESA-N -1 0 333.827 2.672 10 30 EFEERM C=CCn1c(-c2nc(Cl)n[nH]2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001352094429 1333383328 /nfs/dbraw/zinc/38/33/28/1333383328.db2.gz YANAMWOMMIBAMG-GHMZBOCLSA-N -1 0 333.827 2.672 10 30 EFEERM C=C1CN(C(=O)c2sccc2S(=O)(=O)[N-]c2ccc(C)cc2)C1 ZINC001300667326 1334408636 /nfs/dbraw/zinc/40/86/36/1334408636.db2.gz VXPJAVDRJZLDGY-UHFFFAOYSA-N -1 0 348.449 2.869 10 30 EFEERM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)Cc1ccc(C)o1 ZINC001355888006 1334898171 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C=C(C)C[C@H](NC(=O)c1cccc(OCCCOC)c1C)C(=O)[O-] ZINC000910292426 727430717 /nfs/dbraw/zinc/43/07/17/727430717.db2.gz GEAXPYZWPGCFPP-HNNXBMFYSA-N -1 0 335.400 2.560 10 30 EFEERM C=C(C)C[C@H](NC(=O)Cc1nc(-c2ccco2)c(C)s1)C(=O)[O-] ZINC000910293463 727430945 /nfs/dbraw/zinc/43/09/45/727430945.db2.gz ZIPNXMWFLPGZHM-NSHDSACASA-N -1 0 334.397 2.790 10 30 EFEERM C=CCOCCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000910403753 727436994 /nfs/dbraw/zinc/43/69/94/727436994.db2.gz KXYBIWOKCGZAPX-CQSZACIVSA-N -1 0 325.792 2.955 10 30 EFEERM C=CC[C@H](C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC000910615418 727453455 /nfs/dbraw/zinc/45/34/55/727453455.db2.gz KIKGMTXMYBYGDO-RXCRORICSA-N -1 0 343.423 2.875 10 30 EFEERM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC000910596634 727454252 /nfs/dbraw/zinc/45/42/52/727454252.db2.gz ZSJCWVVXDYGUAS-MWLCHTKSSA-N -1 0 343.301 2.721 10 30 EFEERM C=CCCC[C@@H](NC(=O)C1(c2ccc(C)cc2)CCOCC1)C(=O)[O-] ZINC000910912836 727471563 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C#CC1([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CCCC1 ZINC001561866605 1415328105 /nfs/dbraw/zinc/32/81/05/1415328105.db2.gz OJGLEATXGKQPFG-UHFFFAOYSA-N -1 0 339.285 2.606 10 30 EFEERM CCC[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)c1nn[n-]n1 ZINC000859946575 1428965747 /nfs/dbraw/zinc/96/57/47/1428965747.db2.gz ZEFFNMLSPBZBHL-HNNXBMFYSA-N -1 0 338.415 2.541 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)Nc1ccc(COCC)cc1)C(=O)[O-] ZINC001646056874 1416606654 /nfs/dbraw/zinc/60/66/54/1416606654.db2.gz YDSWYXBKNQXCBC-ZDUSSCGKSA-N -1 0 326.780 2.940 10 30 EFEERM C=CCCCn1c(C)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001690472313 1417215588 /nfs/dbraw/zinc/21/55/88/1417215588.db2.gz KGVMYRNWLGOZDQ-UHFFFAOYSA-N -1 0 344.444 2.899 10 30 EFEERM C#C[C@@H]1CCCCN1C(=O)c1cc(Br)cc(F)c1[O-] ZINC000890658801 713283154 /nfs/dbraw/zinc/28/31/54/713283154.db2.gz TXIMUJFXHGQHBW-SNVBAGLBSA-N -1 0 326.165 2.922 10 30 EFEERM O=C1[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCCN1c1ccccc1 ZINC000255075939 713611506 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C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000077879580 718627441 /nfs/dbraw/zinc/62/74/41/718627441.db2.gz HPUXMNMQLKLMBS-LLVKDONJSA-N -1 0 334.353 2.990 10 30 EFEERM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000077880266 718636057 /nfs/dbraw/zinc/63/60/57/718636057.db2.gz WMZGVGJDHMCCBZ-JTQLQIEISA-N -1 0 349.368 2.573 10 30 EFEERM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000077882507 718650234 /nfs/dbraw/zinc/65/02/34/718650234.db2.gz ZCKJNRBMRDYFKR-LLVKDONJSA-N -1 0 334.353 2.990 10 30 EFEERM Cc1csc(C(C#N)=C([O-])COC(=O)[C@]23CCO[C@H]2CCCC3)n1 ZINC000924223623 718776327 /nfs/dbraw/zinc/77/63/27/718776327.db2.gz SYJZCGFFAYGUEB-HACGYAERSA-N -1 0 348.424 2.520 10 30 EFEERM C=CCS(=O)(=O)[N-]C(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1 ZINC000892883696 719259129 /nfs/dbraw/zinc/25/91/29/719259129.db2.gz ZKRCWFXBQSYNNJ-HAQNSBGRSA-N -1 0 342.486 2.611 10 30 EFEERM C=CCCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)c1ccccc1 ZINC000892925995 719279269 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N#C[C@@]1(C(=O)NCc2cc(=O)[nH]c(C3CCC3)n2)CC2CCC1CC2 ZINC000913695756 725822836 /nfs/dbraw/zinc/82/28/36/725822836.db2.gz PZNGVWJTVRNBKP-JSORRYRYSA-N -1 0 340.427 2.786 10 30 EFEERM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1 ZINC000907098175 726859972 /nfs/dbraw/zinc/85/99/72/726859972.db2.gz VGIZTEDOEZRZCM-SECBINFHSA-N -1 0 335.809 2.743 10 30 EFEERM N#CC1CCC(C[N-]S(=O)(=O)c2occc2Br)CC1 ZINC000915220753 726902626 /nfs/dbraw/zinc/90/26/26/726902626.db2.gz DFMLSOARGPVBKR-UHFFFAOYSA-N -1 0 347.234 2.650 10 30 EFEERM C=CCc1cccc(C(C)C)c1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC000907676903 726989251 /nfs/dbraw/zinc/98/92/51/726989251.db2.gz NEBAUGRSYDMMEP-UHFFFAOYSA-N -1 0 344.415 2.960 10 30 EFEERM C=CC1(CC(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCCCC1 ZINC000907691045 726993375 /nfs/dbraw/zinc/99/33/75/726993375.db2.gz REDDKYHLEOEZTD-CQSZACIVSA-N -1 0 346.431 2.666 10 30 EFEERM C=CCSc1ccccc1C(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1 ZINC000907920022 727053919 /nfs/dbraw/zinc/05/39/19/727053919.db2.gz NYZRHQNEKBRTLB-ZDUSSCGKSA-N -1 0 349.452 2.964 10 30 EFEERM Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000915687244 727117066 /nfs/dbraw/zinc/11/70/66/727117066.db2.gz RMIWEMQJPLGGTG-AWEZNQCLSA-N -1 0 346.374 2.935 10 30 EFEERM C=CCn1ncc2ccc(NC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])cc21 ZINC000908633675 727229464 /nfs/dbraw/zinc/22/94/64/727229464.db2.gz ZZBHCGLZIWLKBX-PEYYIBSZSA-N -1 0 340.383 2.692 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)Nc1cnn([C@H](C)C2CC2)c1)C(=O)[O-] ZINC000908685315 727241520 /nfs/dbraw/zinc/24/15/20/727241520.db2.gz FQTISLINUZVKHJ-SKDRFNHKSA-N -1 0 326.784 2.571 10 30 EFEERM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1c2cccc(C)c2C[C@H]1C(=O)[O-] ZINC000908704219 727248364 /nfs/dbraw/zinc/24/83/64/727248364.db2.gz QCUMIUPLYKYWSN-JQFCIGGWSA-N -1 0 344.411 2.502 10 30 EFEERM C=CCCC[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)[O-] ZINC000908747621 727254439 /nfs/dbraw/zinc/25/44/39/727254439.db2.gz OCUHPXNRGPUYMT-LSDHHAIUSA-N -1 0 349.431 2.525 10 30 EFEERM C=C(C)C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)[O-] ZINC000908751455 727256686 /nfs/dbraw/zinc/25/66/86/727256686.db2.gz MCSHUGVAQUZRCG-DLBZAZTESA-N -1 0 345.443 2.542 10 30 EFEERM C=CCN(CC(F)(F)F)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000908756990 727257678 /nfs/dbraw/zinc/25/76/78/727257678.db2.gz PJFZKZUIULHDJD-UHFFFAOYSA-N -1 0 340.301 2.986 10 30 EFEERM C=CCC1(CNC(=O)N[C@H](CC2CCOCC2)C(=O)[O-])CCCC1 ZINC000909025155 727311987 /nfs/dbraw/zinc/31/19/87/727311987.db2.gz PBWYPSJOIYSTBP-OAHLLOKOSA-N -1 0 338.448 2.692 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NCc1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000909059707 727316198 /nfs/dbraw/zinc/31/61/98/727316198.db2.gz ODPZPZVWWQMMIW-LLVKDONJSA-N -1 0 346.305 2.646 10 30 EFEERM C=C(C)C[C@H](NC(=O)NC[C@H]1CCCN(c2ccccc2)C1)C(=O)[O-] ZINC000909099585 727322665 /nfs/dbraw/zinc/32/26/65/727322665.db2.gz ZDZCDMMMZJWBCA-WBVHZDCISA-N -1 0 345.443 2.622 10 30 EFEERM C=CCCC[C@H](NC(=O)NCc1nc(C(C)C)cs1)C(=O)[O-] ZINC000909110915 727330792 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EFEERM C=C(C)C[C@@H](NC(=O)NCCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000630475062 480733451 /nfs/dbraw/zinc/73/34/51/480733451.db2.gz CRZXPSLPLKDNOU-LLVKDONJSA-N -1 0 339.461 2.702 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NCc1sccc1Br)C(=O)[O-] ZINC000630474654 480733892 /nfs/dbraw/zinc/73/38/92/480733892.db2.gz PVDGJQADJNIDMZ-SECBINFHSA-N -1 0 347.234 2.729 10 30 EFEERM C=C(C)C[C@H](NC(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1)C(=O)[O-] ZINC000630477896 480737384 /nfs/dbraw/zinc/73/73/84/480737384.db2.gz BUXWNRHHHMYNEF-ILXRZTDVSA-N -1 0 326.437 2.689 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NC[C@H](C)Cc1ccc(OC)cc1)C(=O)[O-] ZINC000630479689 480738022 /nfs/dbraw/zinc/73/80/22/480738022.db2.gz SSFSAHPHLVRTNL-CZUORRHYSA-N -1 0 334.416 2.592 10 30 EFEERM C=CC(C)(C)CCNC(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000630483215 480741176 /nfs/dbraw/zinc/74/11/76/480741176.db2.gz MGHWHHXDOXICPK-OAHLLOKOSA-N -1 0 332.400 2.649 10 30 EFEERM C=CC(C)(C)CCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC000630482857 480741354 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EFEERM C=CCCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630671671 480834764 /nfs/dbraw/zinc/83/47/64/480834764.db2.gz ZWLDTAOGAYAKGQ-JQHSSLGASA-N -1 0 344.455 2.965 10 30 EFEERM C=C[C@@H](CC(=O)N1CCC[C@@H](c2n[n-]c(=N)o2)C1)c1ccccc1 ZINC000636220172 480863964 /nfs/dbraw/zinc/86/39/64/480863964.db2.gz USVPCJQHIIPMBS-DZGCQCFKSA-N -1 0 326.400 2.548 10 30 EFEERM C=CC[C@@H]1N(C(=O)NCC2(C(=O)[O-])CCOCC2)CCCC1(C)C ZINC000646168926 481138315 /nfs/dbraw/zinc/13/83/15/481138315.db2.gz ZFLIWDSKDNBEBV-AWEZNQCLSA-N -1 0 338.448 2.644 10 30 EFEERM C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000659063637 481197317 /nfs/dbraw/zinc/19/73/17/481197317.db2.gz BNXWPWVXDWPXEY-BBRMVZONSA-N -1 0 344.411 2.883 10 30 EFEERM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000659063756 481198569 /nfs/dbraw/zinc/19/85/69/481198569.db2.gz DXHNQFUUDNMHST-RISCZKNCSA-N -1 0 348.374 2.714 10 30 EFEERM C=CCCC(C)(C)CNC(=O)N=c1[n-]nc(-c2c[nH]nc2C)s1 ZINC000640036228 481713772 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10 30 EFEERM C=CCCOCC(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000910068134 727409864 /nfs/dbraw/zinc/40/98/64/727409864.db2.gz GYYICQVDXMDIHI-KRWDZBQOSA-N -1 0 327.380 2.544 10 30 EFEERM C=CCCC[C@@H](C(=O)N1CC[C@](OC)(C(=O)[O-])C1)c1ccccc1 ZINC000910223122 727419852 /nfs/dbraw/zinc/41/98/52/727419852.db2.gz WNTMCZPVJQSJQV-VQIMIIECSA-N -1 0 331.412 2.829 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)c1ccc(N(CC)CCC)nc1)C(=O)[O-] ZINC000910266488 727425152 /nfs/dbraw/zinc/42/51/52/727425152.db2.gz MAQJPIPIMRULID-CYBMUJFWSA-N -1 0 339.823 2.644 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)CCc1ncc(C(C)(C)C)o1)C(=O)[O-] ZINC000910267082 727425206 /nfs/dbraw/zinc/42/52/06/727425206.db2.gz RDMLBWWDIIAIPE-SNVBAGLBSA-N -1 0 328.796 2.617 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)c1sc(CC2CC2)nc1C)C(=O)[O-] ZINC000910270055 727425521 /nfs/dbraw/zinc/42/55/21/727425521.db2.gz GSONGVFBVXQRDZ-SNVBAGLBSA-N -1 0 328.821 2.730 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)CCC[C@H](O)c1ccccc1)C(=O)[O-] ZINC000910270288 727425527 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341.816 2.595 10 30 EFEERM C=C(C)C[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)[O-] ZINC000910286226 727427827 /nfs/dbraw/zinc/42/78/27/727427827.db2.gz GKEKFVYRNNZCLM-HNNXBMFYSA-N -1 0 327.384 2.638 10 30 EFEERM C=C(C)C[C@@H](NC(=O)Cc1nc(-c2ccco2)c(C)s1)C(=O)[O-] ZINC000910293462 727430866 /nfs/dbraw/zinc/43/08/66/727430866.db2.gz ZIPNXMWFLPGZHM-LLVKDONJSA-N -1 0 334.397 2.790 10 30 EFEERM C=C(C)C[C@H](NC(=O)CN(CC)Cc1ccccc1Cl)C(=O)[O-] ZINC000910294360 727431082 /nfs/dbraw/zinc/43/10/82/727431082.db2.gz QCUOOODAVNCLEW-HNNXBMFYSA-N -1 0 338.835 2.698 10 30 EFEERM C=C(C)C[C@H](NC(=O)c1ccc2c(c1)nc(C(F)F)n2C)C(=O)[O-] ZINC000910296065 727431300 /nfs/dbraw/zinc/43/13/00/727431300.db2.gz ZQIIRIWFYUBTDM-NSHDSACASA-N -1 0 337.326 2.660 10 30 EFEERM C=CCCC[C@@H](C(=O)N1CCO[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000910331307 727431613 /nfs/dbraw/zinc/43/16/13/727431613.db2.gz NHJYTUMCYBXLFE-APWZRJJASA-N -1 0 331.412 2.829 10 30 EFEERM C=C[C@](C)(CCOC)C(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000910383508 727437823 /nfs/dbraw/zinc/43/78/23/727437823.db2.gz RCYUABFQZOASKH-LJQANCHMSA-N -1 0 347.411 2.507 10 30 EFEERM C=CCSc1ccccc1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000910485818 727445733 /nfs/dbraw/zinc/44/57/33/727445733.db2.gz BYKLBAQUEPXVMV-JQWIXIFHSA-N -1 0 327.352 2.660 10 30 EFEERM C=CCCC[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1C)C(=O)[O-] ZINC000910914920 727471804 /nfs/dbraw/zinc/47/18/04/727471804.db2.gz PRLXTDXNPAZDRS-OAHLLOKOSA-N -1 0 345.374 2.859 10 30 EFEERM C=CCCC[C@@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)C(=O)[O-] ZINC000910914622 727471817 /nfs/dbraw/zinc/47/18/17/727471817.db2.gz JDBWQNICMHTDFE-OAHLLOKOSA-N -1 0 330.384 2.574 10 30 EFEERM C=CCCC[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)C(=O)[O-] ZINC000910914439 727471818 /nfs/dbraw/zinc/47/18/18/727471818.db2.gz HIKKITKQNYVNEU-AWEZNQCLSA-N -1 0 330.388 2.552 10 30 EFEERM C=CCCC[C@H](NC(=O)Cc1coc2cc(OC)ccc12)C(=O)[O-] ZINC000910915666 727471875 /nfs/dbraw/zinc/47/18/75/727471875.db2.gz PFSCBCQGHWRBHX-HNNXBMFYSA-N -1 0 331.368 2.910 10 30 EFEERM C=CCCC[C@H](NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1)C(=O)[O-] ZINC000910916223 727471943 /nfs/dbraw/zinc/47/19/43/727471943.db2.gz UIAVJEUROGYABJ-RCBQFDQVSA-N -1 0 344.411 2.820 10 30 EFEERM C=CCCC[C@H](NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)C(=O)[O-] ZINC000910916219 727471949 /nfs/dbraw/zinc/47/19/49/727471949.db2.gz UIAVJEUROGYABJ-KCXAZCMYSA-N -1 0 344.411 2.820 10 30 EFEERM C=CCCC[C@@H](NC(=O)c1cn(-c2cccc(F)c2)nc1C)C(=O)[O-] ZINC000910917226 727472009 /nfs/dbraw/zinc/47/20/09/727472009.db2.gz OCEWTEYECZMTBA-MRXNPFEDSA-N -1 0 345.374 2.859 10 30 EFEERM C=CCCC[C@H](NC(=O)C[C@H](c1ncc[nH]1)c1ccccc1)C(=O)[O-] ZINC000910925197 727472367 /nfs/dbraw/zinc/47/23/67/727472367.db2.gz JLHKJNNUYRYXLC-HOTGVXAUSA-N -1 0 341.411 2.857 10 30 EFEERM C=CCCC[C@H](NC(=O)c1sc([C@H](C)OC)nc1C)C(=O)[O-] ZINC000910924840 727472384 /nfs/dbraw/zinc/47/23/84/727472384.db2.gz FIIJITUCMJDSRC-QWRGUYRKSA-N -1 0 326.418 2.698 10 30 EFEERM C=CCCC[C@@H](NC(=O)Cn1cc(-c2ccccc2)c(C)n1)C(=O)[O-] ZINC000910925715 727472446 /nfs/dbraw/zinc/47/24/46/727472446.db2.gz NVTKLUJTHWDDPB-QGZVFWFLSA-N -1 0 341.411 2.784 10 30 EFEERM N#CCc1ccc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)cc1 ZINC000911018108 727481980 /nfs/dbraw/zinc/48/19/80/727481980.db2.gz ROTMCEBSQXRXGU-UHFFFAOYSA-N -1 0 340.301 2.622 10 30 EFEERM C=CCC1(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)CCOCC1 ZINC000911021407 727482397 /nfs/dbraw/zinc/48/23/97/727482397.db2.gz PBUFZBSZEYDBKV-UHFFFAOYSA-N -1 0 349.349 2.615 10 30 EFEERM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000911747767 727592901 /nfs/dbraw/zinc/59/29/01/727592901.db2.gz ONBKJILZOIHODJ-UHFFFAOYSA-N -1 0 342.399 2.776 10 30 EFEERM CCC(C#N)(CC)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912869502 727753059 /nfs/dbraw/zinc/75/30/59/727753059.db2.gz VTXYHFLBJGRRAN-UHFFFAOYSA-N -1 0 339.399 2.853 10 30 EFEERM CCOc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC000054801383 727880312 /nfs/dbraw/zinc/88/03/12/727880312.db2.gz NECMRRAYEBCYFL-UHFFFAOYSA-N -1 0 344.392 2.792 10 30 EFEERM Cc1ncccc1/C=C/C(=O)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000171418748 728534628 /nfs/dbraw/zinc/53/46/28/728534628.db2.gz OXVGZPITIDINKE-GQCTYLIASA-N -1 0 338.407 2.824 10 30 EFEERM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)c2coc3ccccc23)cc1 ZINC000172017758 728562976 /nfs/dbraw/zinc/56/29/76/728562976.db2.gz WZELPWHODQYESM-UHFFFAOYSA-N -1 0 340.360 2.564 10 30 EFEERM N#Cc1cccc(S(=O)(=O)[N-]C(=O)CC/C=C/c2ccccc2)c1 ZINC000172660357 728602010 /nfs/dbraw/zinc/60/20/10/728602010.db2.gz HEGPTNLNTKAGRR-RUDMXATFSA-N -1 0 340.404 2.857 10 30 EFEERM Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000069567470 729002717 /nfs/dbraw/zinc/00/27/17/729002717.db2.gz RGMCRBAYPHWQPC-UHFFFAOYSA-N -1 0 332.356 2.840 10 30 EFEERM CC(C)C(=O)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000920547933 729199078 /nfs/dbraw/zinc/19/90/78/729199078.db2.gz WXYLUYDCEDHTLE-OAHLLOKOSA-N -1 0 348.449 2.864 10 30 EFEERM C[C@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000920789149 729231022 /nfs/dbraw/zinc/23/10/22/729231022.db2.gz BMVJXZQOIVWVTO-BBRMVZONSA-N -1 0 334.441 2.721 10 30 EFEERM CCCCCNC(=O)C(C#N)=C([O-])c1sc([C@H](C)OC)nc1C ZINC000175096678 729476476 /nfs/dbraw/zinc/47/64/76/729476476.db2.gz LBFWHFVCTASKKO-NWDGAFQWSA-N -1 0 337.445 2.788 10 30 EFEERM CCCCCNC(=O)C(C#N)=C([O-])c1sc([C@@H](C)OC)nc1C ZINC000175096627 729476631 /nfs/dbraw/zinc/47/66/31/729476631.db2.gz LBFWHFVCTASKKO-NEPJUHHUSA-N -1 0 337.445 2.788 10 30 EFEERM CO[C@H](C)c1nc(C)c(C([O-])=C(C#N)C(=O)NC2CCCC2)s1 ZINC000175119041 729477618 /nfs/dbraw/zinc/47/76/18/729477618.db2.gz LLASBWJCBGZOCO-ZYHUDNBSSA-N -1 0 335.429 2.540 10 30 EFEERM C#CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000180732454 729766133 /nfs/dbraw/zinc/76/61/33/729766133.db2.gz BABBTUICXXJTJJ-UHFFFAOYSA-N -1 0 333.331 2.704 10 30 EFEERM C=CC(C)(C)CCCNC(=O)N[C@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C ZINC000871646353 939260824 /nfs/dbraw/zinc/26/08/24/939260824.db2.gz JYULCURVMQOVRR-ACJLOTCBSA-N -1 0 340.464 2.936 10 30 EFEERM C=CC(C)(C)CCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC000871646520 939260916 /nfs/dbraw/zinc/26/09/16/939260916.db2.gz MGDFXOVEMGAATL-ILXRZTDVSA-N -1 0 340.464 2.936 10 30 EFEERM C=CCC[C@@H](NC(=O)N[C@]1(C(=O)[O-])CCSC1)c1ccccc1 ZINC000929045384 939801786 /nfs/dbraw/zinc/80/17/86/939801786.db2.gz QSAQMOICLKGHRB-RHSMWYFYSA-N -1 0 334.441 2.953 10 30 EFEERM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](F)C2)cc1Cl ZINC001647231503 1089139319 /nfs/dbraw/zinc/13/93/19/1089139319.db2.gz AWBQXVUYVPGLEQ-MWLCHTKSSA-N -1 0 344.795 2.545 10 30 EFEERM C#Cc1ccccc1CC(=O)Nc1nccc(Br)c1[O-] ZINC001648159759 1089954718 /nfs/dbraw/zinc/95/47/18/1089954718.db2.gz BBCLDKCLDDBQTH-UHFFFAOYSA-N -1 0 331.169 2.712 10 30 EFEERM C#CCO[N-]C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C ZINC001584292170 1092139655 /nfs/dbraw/zinc/13/96/55/1092139655.db2.gz LMBFYGGIUPVJBU-KFWWJZLASA-N -1 0 336.432 2.626 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1ncc(-c2ccccc2)o1 ZINC001584785822 1092284530 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C[C@H](CO[N-]C(=O)[C@H](CC#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC001596401600 1094530193 /nfs/dbraw/zinc/53/01/93/1094530193.db2.gz PIKLXABDCHZABC-UKRRQHHQSA-N -1 0 347.415 2.645 10 30 EFEERM N#Cc1ccc([O-])c(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001598128007 1094658381 /nfs/dbraw/zinc/65/83/81/1094658381.db2.gz FZJYZOJUHTZHNZ-UHFFFAOYSA-N -1 0 329.287 2.882 10 30 EFEERM C=CCn1ncc2ccc(NC(=O)c3ccc4oc(=O)nc-4[n-]3)cc21 ZINC001598316433 1094669348 /nfs/dbraw/zinc/66/93/48/1094669348.db2.gz QQWGHCMARDGFDM-UHFFFAOYSA-N -1 0 335.323 2.716 10 30 EFEERM CCOC(=O)CCCCCCCNC(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001620994675 1094693348 /nfs/dbraw/zinc/69/33/48/1094693348.db2.gz CTHHSCDYQJIWNH-UHFFFAOYSA-N -1 0 347.415 2.601 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)Oc2ccc(C(C)=O)cc2F)cc1C#N ZINC001125789351 1094693522 /nfs/dbraw/zinc/69/35/22/1094693522.db2.gz CGBZCYAFLZBZGZ-UHFFFAOYSA-N -1 0 346.339 2.942 10 30 EFEERM C=CCC1(C(=O)[N-]S(=O)(=O)C2Cc3ccccc3C2)CCCC1 ZINC000893682753 1095828895 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C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1)C(=O)[O-] ZINC000871650215 1287190927 /nfs/dbraw/zinc/19/09/27/1287190927.db2.gz SXXFLRIFBOOGBL-MWLCHTKSSA-N -1 0 345.321 2.880 10 30 EFEERM C=C(C)C[C@@H](NC(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1)C(=O)[O-] ZINC000871651941 1287192473 /nfs/dbraw/zinc/19/24/73/1287192473.db2.gz UMWLRRNSBXMDDC-GXSJLCMTSA-N -1 0 345.321 2.880 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)c1noc2c1CC(C)(C)CC2)C(=O)[O-] ZINC000872739685 1289349188 /nfs/dbraw/zinc/34/91/88/1289349188.db2.gz DDXFRMCEXXXUPQ-JTQLQIEISA-N -1 0 326.780 2.515 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)COc1cc(Cl)ccc1C)C(=O)[O-] ZINC000872740795 1289350236 /nfs/dbraw/zinc/35/02/36/1289350236.db2.gz OABKLJZORLLYKR-NSHDSACASA-N -1 0 332.183 2.739 10 30 EFEERM C#CC[C@H]1CCCN(C(=O)C[C@@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000872981537 1289499228 /nfs/dbraw/zinc/49/92/28/1289499228.db2.gz DLYMERREBRQHBW-YWZLYKJASA-N -1 0 325.408 2.607 10 30 EFEERM C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1F ZINC000873563564 1289926438 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C=CCCc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC000903560576 1312868468 /nfs/dbraw/zinc/86/84/68/1312868468.db2.gz FBYNESGXVKFLRV-CABCVRRESA-N -1 0 337.441 2.727 10 30 EFEERM C=CCCS(=O)(=O)N1CC[C@H](C2(C(=O)[O-])CC2)c2ccccc21 ZINC000882789742 1293321289 /nfs/dbraw/zinc/32/12/89/1293321289.db2.gz DNWDYUUQZQZPHD-AWEZNQCLSA-N -1 0 335.425 2.751 10 30 EFEERM [O-]C(=[NH+]c1nnc(Cc2ccccc2)[n-]1)N1CCc2ccccc2C1 ZINC000048353736 1293709289 /nfs/dbraw/zinc/70/92/89/1293709289.db2.gz QOCLKYIKLCPUJV-UHFFFAOYSA-N -1 0 333.395 2.999 10 30 EFEERM CC(C)[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000776138563 1296591200 /nfs/dbraw/zinc/59/12/00/1296591200.db2.gz OGWCRABSEQIXIL-AWEZNQCLSA-N -1 0 340.420 2.561 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC001413025082 1297425120 /nfs/dbraw/zinc/42/51/20/1297425120.db2.gz GTRDSKKPIWSVTI-OAHLLOKOSA-N -1 0 325.343 2.914 10 30 EFEERM C#C[C@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccc(Cl)cc1 ZINC000854235998 1300481547 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C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000860772079 1301915693 /nfs/dbraw/zinc/91/56/93/1301915693.db2.gz OPYFKJVHRDJMIS-CABCVRRESA-N -1 0 337.416 2.874 10 30 EFEERM C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C)C(=O)[O-] ZINC000863422036 1302609660 /nfs/dbraw/zinc/60/96/60/1302609660.db2.gz ZAMRQAXBHJYTTO-JTQLQIEISA-N -1 0 338.212 2.523 10 30 EFEERM N#CCc1cccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c1 ZINC000794585091 1302774995 /nfs/dbraw/zinc/77/49/95/1302774995.db2.gz PLBCYBFXUQUCBH-UHFFFAOYSA-N -1 0 330.413 2.865 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)COc1ccc(Cl)c(C)c1)C(=O)[O-] ZINC000864183614 1302805845 /nfs/dbraw/zinc/80/58/45/1302805845.db2.gz SNWBYGHXSIDJTB-LBPRGKRZSA-N -1 0 332.183 2.739 10 30 EFEERM C=CCOC[C@@H](NC(=O)/C=C\c1ccsc1C(F)(F)F)C(=O)[O-] ZINC000864146776 1302794641 /nfs/dbraw/zinc/79/46/41/1302794641.db2.gz XXZJLCHQGIICDR-UMBAGQNISA-N -1 0 349.330 2.552 10 30 EFEERM C=CCOC[C@H](NC(=O)/C=C\c1ccsc1C(F)(F)F)C(=O)[O-] ZINC000864146777 1302794813 /nfs/dbraw/zinc/79/48/13/1302794813.db2.gz XXZJLCHQGIICDR-XOULXFPDSA-N -1 0 349.330 2.552 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)C[C@@H](C)c1ccccc1OC)C(=O)[O-] ZINC000864183777 1302804862 /nfs/dbraw/zinc/80/48/62/1302804862.db2.gz MJVIWXRYMCYCKY-ZWNOBZJWSA-N -1 0 325.792 2.901 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)[O-] ZINC000864184188 1302804987 /nfs/dbraw/zinc/80/49/87/1302804987.db2.gz LEUFIBPBUNCRMX-CABZTGNLSA-N -1 0 332.183 2.819 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)[C@H](C)CCOc1ccccc1)C(=O)[O-] ZINC000864183949 1302805091 /nfs/dbraw/zinc/80/50/91/1302805091.db2.gz NRCRKMTYAOAJQQ-BXUZGUMPSA-N -1 0 325.792 2.804 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)c1ccc(N2CCC(C)=N2)cc1)C(=O)[O-] ZINC000864184130 1302805138 /nfs/dbraw/zinc/80/51/38/1302805138.db2.gz WHJNOWXRVXFEIR-AWEZNQCLSA-N -1 0 335.791 2.598 10 30 EFEERM C=CCc1cc(C(=O)N[C@H](CC(=C)C)C(=O)[O-])cc(OC)c1OC ZINC000864187758 1302806345 /nfs/dbraw/zinc/80/63/45/1302806345.db2.gz OIUSVQCFZAOZOO-CQSZACIVSA-N -1 0 333.384 2.582 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)CCCc1c(F)cccc1F)C(=O)[O-] ZINC000864186866 1302806417 /nfs/dbraw/zinc/80/64/17/1302806417.db2.gz YTSJANDHPZKCEW-ZDUSSCGKSA-N -1 0 331.746 3.000 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)[C@@H](C)OCc1ccccc1C)C(=O)[O-] ZINC000864186680 1302806968 /nfs/dbraw/zinc/80/69/68/1302806968.db2.gz UUJMFYBRAYOCRX-TZMCWYRMSA-N -1 0 325.792 2.612 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NCc1ccc(SC)cc1)C(=O)[O-] ZINC000864521107 1302958440 /nfs/dbraw/zinc/95/84/40/1302958440.db2.gz KTYXYDXNSJYXEK-LBPRGKRZSA-N -1 0 328.821 2.804 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)NCCCOc1ccccc1C)C(=O)[O-] ZINC000864520910 1302958544 /nfs/dbraw/zinc/95/85/44/1302958544.db2.gz CCWUOFRCQXPMLO-CYBMUJFWSA-N -1 0 340.807 2.659 10 30 EFEERM C=C(C)C[C@H](NC(=O)NCc1csc(Br)c1)C(=O)[O-] ZINC000864523449 1302960134 /nfs/dbraw/zinc/96/01/34/1302960134.db2.gz JARQPUHDGMUMTR-VIFPVBQESA-N -1 0 347.234 2.729 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)N[C@H]1CCc2ccc(F)cc21)C(=O)[O-] ZINC000864525189 1302961999 /nfs/dbraw/zinc/96/19/99/1302961999.db2.gz TUSYFZWCVRRBBH-STQMWFEESA-N -1 0 326.755 2.708 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)NCCCc1cccc(F)c1)C(=O)[O-] ZINC000864525074 1302962448 /nfs/dbraw/zinc/96/24/48/1302962448.db2.gz QLVNPXFWYQPWEF-CYBMUJFWSA-N -1 0 328.771 2.653 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NC[C@@H](C)Cc1cccs1)C(=O)[O-] ZINC000864527408 1302963655 /nfs/dbraw/zinc/96/36/55/1302963655.db2.gz ZZHPXWAADSBSCT-CABZTGNLSA-N -1 0 330.837 2.822 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)NC[C@H](OCC)c1ccccc1)C(=O)[O-] ZINC000864528056 1302963672 /nfs/dbraw/zinc/96/36/72/1302963672.db2.gz LGUZVYHAFWOFFB-KGLIPLIRSA-N -1 0 340.807 2.659 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)NCc1ccc(C)cc1OCC)C(=O)[O-] ZINC000864528547 1302964754 /nfs/dbraw/zinc/96/47/54/1302964754.db2.gz QWXDPLTVRQPEKN-CYBMUJFWSA-N -1 0 340.807 2.789 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NCC1([C@@H]2CCCCO2)CCC1)C(=O)[O-] ZINC000864544777 1302969198 /nfs/dbraw/zinc/96/91/98/1302969198.db2.gz XWMKOMAPRHKWDG-STQMWFEESA-N -1 0 344.839 2.621 10 30 EFEERM N#Cc1cc(-c2cccc3c2OCCO3)ccc1N1CC(C(=O)[O-])C1 ZINC000864612106 1302997308 /nfs/dbraw/zinc/99/73/08/1302997308.db2.gz SSDIFRYZYPZANY-UHFFFAOYSA-N -1 0 336.347 2.517 10 30 EFEERM CCc1ccc(NC(=S)N2CCc3[n-]c(=O)c(C#N)cc3C2)cc1 ZINC000865250576 1303201330 /nfs/dbraw/zinc/20/13/30/1303201330.db2.gz GELNERXIJLZBFY-UHFFFAOYSA-N -1 0 338.436 2.976 10 30 EFEERM COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)c(C)c1OC ZINC000794923150 1303657507 /nfs/dbraw/zinc/65/75/07/1303657507.db2.gz MIHLVZRAGWEPCJ-UHFFFAOYSA-N -1 0 329.356 2.942 10 30 EFEERM N#CCC1(CNC(=O)c2cc(Br)cc(F)c2[O-])CC1 ZINC000867979098 1304055201 /nfs/dbraw/zinc/05/52/01/1304055201.db2.gz FMHGRNVVHMRDKL-UHFFFAOYSA-N -1 0 327.153 2.717 10 30 EFEERM C=CCN(C(C)C)S(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC001208586760 1313968451 /nfs/dbraw/zinc/96/84/51/1313968451.db2.gz KCNSEDQVYANOSC-UHFFFAOYSA-N -1 0 339.335 2.876 10 30 EFEERM N#Cc1cccc([C@H](NC(=O)CCCCC(=O)[O-])C(F)(F)F)c1 ZINC000868467993 1304308546 /nfs/dbraw/zinc/30/85/46/1304308546.db2.gz PQRTXAPVVZFPPG-AWEZNQCLSA-N -1 0 328.290 2.923 10 30 EFEERM C=C[C@@H](C)O[N-]C(=O)[C@@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C ZINC000869154756 1304634998 /nfs/dbraw/zinc/63/49/98/1304634998.db2.gz XTADLJPEKQIEPN-ABAIWWIYSA-N -1 0 348.399 2.681 10 30 EFEERM C=C[C@H](C)O[N-]C(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C ZINC000869154759 1304635301 /nfs/dbraw/zinc/63/53/01/1304635301.db2.gz XTADLJPEKQIEPN-XHDPSFHLSA-N -1 0 348.399 2.681 10 30 EFEERM N#CC1(C(=O)OCc2cc(=O)[nH]c(-c3ccccc3)n2)CC2(CC2)C1 ZINC000869614357 1304878558 /nfs/dbraw/zinc/87/85/58/1304878558.db2.gz VJAZHADYIOTPSB-UHFFFAOYSA-N -1 0 335.363 2.976 10 30 EFEERM Cc1csc(C(C#N)=C([O-])COC(=O)C2(C(F)F)CCC2)n1 ZINC000869710205 1304925657 /nfs/dbraw/zinc/92/56/57/1304925657.db2.gz IKWFDOKWNOLIIO-VIFPVBQESA-N -1 0 328.340 2.606 10 30 EFEERM C=CCS(=O)(=O)[N-]C(=O)Cc1csc2sc(CC)cc12 ZINC000870257054 1305229007 /nfs/dbraw/zinc/22/90/07/1305229007.db2.gz PGZZXOQHHDVSHB-UHFFFAOYSA-N -1 0 329.468 2.700 10 30 EFEERM CC(C)[C@](C)(Cc1ccccc1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000870281749 1305239445 /nfs/dbraw/zinc/23/94/45/1305239445.db2.gz NUMDZHKGAUZFHR-KRWDZBQOSA-N -1 0 348.468 2.641 10 30 EFEERM CC(C)(C)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000870288736 1305243359 /nfs/dbraw/zinc/24/33/59/1305243359.db2.gz WVOUJCWTPWZHSH-CHWSQXEVSA-N -1 0 326.462 2.589 10 30 EFEERM CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)CCC#N)[C@H](c2ccccc2)C1 ZINC000870350515 1305277334 /nfs/dbraw/zinc/27/73/34/1305277334.db2.gz CXIZTZROWOCYBO-HOTGVXAUSA-N -1 0 348.468 2.956 10 30 EFEERM COCC=CC(=O)C(C#N)=C([O-])c1sccc1Br ZINC000870455342 1305331044 /nfs/dbraw/zinc/33/10/44/1305331044.db2.gz YYPOMCWCZGWVAH-YAJNLLPGSA-N -1 0 328.187 2.605 10 30 EFEERM CCC(C)(C)CS(=O)(=O)[N-]C(=O)c1cc2ccccc2n1CC#N ZINC000870659088 1305478707 /nfs/dbraw/zinc/47/87/07/1305478707.db2.gz KMOZRIWJMZAODN-UHFFFAOYSA-N -1 0 347.440 2.661 10 30 EFEERM C[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)N(C(=O)OC(C)(C)C)C1CC1 ZINC000870691057 1305503924 /nfs/dbraw/zinc/50/39/24/1305503924.db2.gz YRYKEEIXLMSYKN-LBPRGKRZSA-N -1 0 345.399 2.756 10 30 EFEERM C=CC1(S(=O)(=O)[N-]C(=O)CCCOc2ccc(C)c(C)c2)CC1 ZINC000870833705 1305614563 /nfs/dbraw/zinc/61/45/63/1305614563.db2.gz AQBMJOYFJIOKGT-UHFFFAOYSA-N -1 0 337.441 2.627 10 30 EFEERM C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)Cc2ccccc2Cl)CC1 ZINC000870834258 1305616008 /nfs/dbraw/zinc/61/60/08/1305616008.db2.gz TVDNYVBBERFTIH-NSHDSACASA-N -1 0 327.833 2.683 10 30 EFEERM C=CC1(S(=O)(=O)[N-]C(=O)CCCOc2ccc(C)cc2C)CC1 ZINC000870834138 1305616253 /nfs/dbraw/zinc/61/62/53/1305616253.db2.gz PFKSBVUTSYBHBM-UHFFFAOYSA-N -1 0 337.441 2.627 10 30 EFEERM C=CC1(S(=O)(=O)[N-]C(=O)C[C@H](C)c2c[nH]c3ccccc32)CC1 ZINC000870837136 1305617618 /nfs/dbraw/zinc/61/76/18/1305617618.db2.gz YHHMMSVPDSMTKW-LBPRGKRZSA-N -1 0 332.425 2.826 10 30 EFEERM N#CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000796625440 1306964733 /nfs/dbraw/zinc/96/47/33/1306964733.db2.gz JBEHWRRKGLBVTJ-QGZVFWFLSA-N -1 0 342.420 2.720 10 30 EFEERM C#CCCCCCC(=O)[N-]S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000800415522 1307812992 /nfs/dbraw/zinc/81/29/92/1307812992.db2.gz SLFLKWKPGAREBB-UHFFFAOYSA-N -1 0 337.441 2.701 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1)C(=O)[O-] ZINC000900315716 1307946435 /nfs/dbraw/zinc/94/64/35/1307946435.db2.gz WHLTVEUJFKXDNL-CHWSQXEVSA-N -1 0 343.210 2.702 10 30 EFEERM C=CCCC[C@H](NC(=O)Nc1cc2c(cc1Cl)OCO2)C(=O)[O-] ZINC000900346012 1308022358 /nfs/dbraw/zinc/02/23/58/1308022358.db2.gz AQSRMUJAMPREKG-JTQLQIEISA-N -1 0 340.763 3.000 10 30 EFEERM C=CCCC[C@@H](NC(=O)Nc1cc(OC)cc(OC)c1C)C(=O)[O-] ZINC000900350038 1308033058 /nfs/dbraw/zinc/03/30/58/1308033058.db2.gz WNKVWBVSBYCWCI-CYBMUJFWSA-N -1 0 336.388 2.943 10 30 EFEERM C=CCCc1ccccc1NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC000800626323 1308176827 /nfs/dbraw/zinc/17/68/27/1308176827.db2.gz GXHIUUAREXKAKX-UHFFFAOYSA-N -1 0 330.306 2.744 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2ccccc2C(C)(C)C1 ZINC001413267795 1309222263 /nfs/dbraw/zinc/22/22/63/1309222263.db2.gz QXYQZWGGEZTCCS-UHFFFAOYSA-N -1 0 335.407 2.943 10 30 EFEERM Cn1nc2c(c1/C=C/C(=O)c1ccc(C(=O)[O-])s1)CSCC2 ZINC000901452095 1310501902 /nfs/dbraw/zinc/50/19/02/1310501902.db2.gz LLVRXMGRXVKFFA-NSCUHMNNSA-N -1 0 334.422 2.865 10 30 EFEERM N#CC1(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CC2(CC2)C1 ZINC000901570989 1310683557 /nfs/dbraw/zinc/68/35/57/1310683557.db2.gz UXGVBIQKDURTJF-HNNXBMFYSA-N -1 0 326.396 2.663 10 30 EFEERM O=C(/C=C/c1cn(C[C@H]2CCOC2)nn1)c1ccc([O-])cc1Cl ZINC000901579093 1310692390 /nfs/dbraw/zinc/69/23/90/1310692390.db2.gz PCOBDYWTKUAEIJ-CLUFZFBRSA-N -1 0 333.775 2.570 10 30 EFEERM COc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H]1CCCC(C)(C)O1 ZINC000901613707 1310759198 /nfs/dbraw/zinc/75/91/98/1310759198.db2.gz PAJRNPXNYOZELV-ZDUSSCGKSA-N -1 0 338.429 2.656 10 30 EFEERM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C1 ZINC000901658083 1310836176 /nfs/dbraw/zinc/83/61/76/1310836176.db2.gz XKYGGPSOGUGUGE-HOCLYGCPSA-N -1 0 340.423 2.939 10 30 EFEERM CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000901664819 1310847596 /nfs/dbraw/zinc/84/75/96/1310847596.db2.gz ZDCFULCCSJRVOT-UHFFFAOYSA-N -1 0 332.429 2.800 10 30 EFEERM Cn1nc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)cc1C1CC1 ZINC000901668622 1310858631 /nfs/dbraw/zinc/85/86/31/1310858631.db2.gz GRTDOGWGYJNAOD-UHFFFAOYSA-N -1 0 330.413 2.554 10 30 EFEERM C=CCNC(=O)C(C#N)=C([O-])c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000780305436 1311093355 /nfs/dbraw/zinc/09/33/55/1311093355.db2.gz JFOHUBNRIVMFOV-JTQLQIEISA-N -1 0 347.346 2.713 10 30 EFEERM C=CCNC(=O)C(C#N)=C([O-])c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000780305437 1311093524 /nfs/dbraw/zinc/09/35/24/1311093524.db2.gz JFOHUBNRIVMFOV-SNVBAGLBSA-N -1 0 347.346 2.713 10 30 EFEERM CCCCN(O)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001161832474 1311983763 /nfs/dbraw/zinc/98/37/63/1311983763.db2.gz NRTVXALDTZIREC-LBPRGKRZSA-N -1 0 335.791 2.582 10 30 EFEERM C#C[C@H](C)[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902923958 1312213771 /nfs/dbraw/zinc/21/37/71/1312213771.db2.gz VFFPDSWWQDULTG-LURJTMIESA-N -1 0 326.652 2.984 10 30 EFEERM C=CCCc1ccc(S(=O)(=O)N[C@@H](CC(=C)Cl)C(=O)[O-])cc1 ZINC000902988303 1312264288 /nfs/dbraw/zinc/26/42/88/1312264288.db2.gz UEWMCFZTJZGEFG-AWEZNQCLSA-N -1 0 343.832 2.679 10 30 EFEERM Cc1ccc(-c2cc(NC(=O)c3[n-]c(=O)c(C#N)cc3C)n[nH]2)s1 ZINC001163893511 1312403150 /nfs/dbraw/zinc/40/31/50/1312403150.db2.gz ZFSIXIFSBJKMHM-UHFFFAOYSA-N -1 0 339.380 2.980 10 30 EFEERM CC(=O)c1nc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)sc1C ZINC000903142714 1312403603 /nfs/dbraw/zinc/40/36/03/1312403603.db2.gz HDVWSSDZSXZYEG-UHFFFAOYSA-N -1 0 349.437 2.662 10 30 EFEERM C=CCN(Cc1ccccc1)C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001290478992 1321916254 /nfs/dbraw/zinc/91/62/54/1321916254.db2.gz LIQBHXCNXXIBSN-UHFFFAOYSA-N -1 0 335.363 2.858 10 30 EFEERM C=CC[C@@H](NC(=O)c1ncc(Br)cc1[O-])c1ccncc1 ZINC001293576876 1322290099 /nfs/dbraw/zinc/29/00/99/1322290099.db2.gz IMUWNSIJPYJSMO-GFCCVEGCSA-N -1 0 348.200 2.992 10 30 EFEERM N#Cc1ccc([O-])c(NC(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 ZINC001295829235 1322789023 /nfs/dbraw/zinc/78/90/23/1322789023.db2.gz ZAFCRBUKYNKGGT-UHFFFAOYSA-N -1 0 343.726 2.500 10 30 EFEERM N#Cc1cccc(ONC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC001302373196 1324575549 /nfs/dbraw/zinc/57/55/49/1324575549.db2.gz CHNUMYYDQGNSJK-UHFFFAOYSA-N -1 0 334.291 2.738 10 30 EFEERM C=C(C)C[C@H](CO)NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001306890564 1324728935 /nfs/dbraw/zinc/72/89/35/1324728935.db2.gz VGTYDFQGLSBECQ-SECBINFHSA-N -1 0 348.624 2.865 10 30 EFEERM C=CC[C@@H](CC)NS(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC001309450516 1324870619 /nfs/dbraw/zinc/87/06/19/1324870619.db2.gz SXDGPPMKNLKJSP-SECBINFHSA-N -1 0 339.335 2.924 10 30 EFEERM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc2sccc2s1 ZINC001317917970 1328441251 /nfs/dbraw/zinc/44/12/51/1328441251.db2.gz WQUUPCFJDWWOFL-UHFFFAOYSA-N -1 0 348.430 2.953 10 30 EFEERM COCCCNN=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001322447027 1329459256 /nfs/dbraw/zinc/45/92/56/1329459256.db2.gz VEDGMJYHEUSFFE-UHFFFAOYSA-N -1 0 342.395 2.924 10 30 EFEERM C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001338870005 1331749972 /nfs/dbraw/zinc/74/99/72/1331749972.db2.gz SREBHYKSJINYIB-LBPRGKRZSA-N -1 0 336.399 2.651 10 30 EFEERM C=CC[C@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC001339754345 1331951279 /nfs/dbraw/zinc/95/12/79/1331951279.db2.gz OIMSCHDDWNFPMB-NSHDSACASA-N -1 0 332.278 2.779 10 30 EFEERM C=CCCC1(CNC(=O)N2CC[C@](COC)(C(=O)[O-])C2)CCCC1 ZINC001339823689 1332104835 /nfs/dbraw/zinc/10/48/35/1332104835.db2.gz XOPJIDURUZHQSO-SFHVURJKSA-N -1 0 338.448 2.646 10 30 EFEERM C=C(C)Cn1c(-c2nc(Cl)n[nH]2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001341755139 1332282230 /nfs/dbraw/zinc/28/22/30/1332282230.db2.gz CGVPAYSRKZMUFB-GHMZBOCLSA-N -1 0 335.843 2.775 10 30 EFEERM C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001342180987 1332314316 /nfs/dbraw/zinc/31/43/16/1332314316.db2.gz UGVWOOXADHUAFJ-UONOGXRCSA-N -1 0 342.447 2.587 10 30 EFEERM C=CC[C@@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)C(=O)[O-] ZINC001344126151 1332404549 /nfs/dbraw/zinc/40/45/49/1332404549.db2.gz YPPKSMFGUDOAGG-GFCCVEGCSA-N -1 0 327.302 2.883 10 30 EFEERM Cn1ccc(=O)c(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)c1 ZINC001345222963 1332523482 /nfs/dbraw/zinc/52/34/82/1332523482.db2.gz JWBQKHSFNSDVHK-GFCCVEGCSA-N -1 0 340.404 2.531 10 30 EFEERM Cn1ccc(=O)c(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)c1 ZINC001345222973 1332523709 /nfs/dbraw/zinc/52/37/09/1332523709.db2.gz JWBQKHSFNSDVHK-LBPRGKRZSA-N -1 0 340.404 2.531 10 30 EFEERM C#CCSCC(=O)C(C#N)=C([O-])c1sccc1Br ZINC001346449273 1332642790 /nfs/dbraw/zinc/64/27/90/1332642790.db2.gz HFBUKNWMVOWGBF-MRVPVSSYSA-N -1 0 342.239 2.769 10 30 EFEERM C=C(CC(C)C)C(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC001348244025 1332815822 /nfs/dbraw/zinc/81/58/22/1332815822.db2.gz OFPHJZVKDQRDBU-CYBMUJFWSA-N -1 0 337.786 2.800 10 30 EFEERM C=CCn1c(-c2nc(Cl)n[nH]2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001352094393 1333383499 /nfs/dbraw/zinc/38/34/99/1333383499.db2.gz XPBCSUBTWODUBW-LLVKDONJSA-N -1 0 333.827 2.672 10 30 EFEERM C=CCN(Cc1ccccc1)c1nnc(-c2cc(=O)n(C)[n-]2)n1CC ZINC001352820402 1333748867 /nfs/dbraw/zinc/74/88/67/1333748867.db2.gz MLDWEFAGGMWIIY-UHFFFAOYSA-N -1 0 338.415 2.597 10 30 EFEERM CC(C)Oc1ccccc1C(F)(F)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000848371310 1334698514 /nfs/dbraw/zinc/69/85/14/1334698514.db2.gz SSOLVGWHYOSUIF-UHFFFAOYSA-N -1 0 345.309 2.671 10 30 EFEERM C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848593968 1334809268 /nfs/dbraw/zinc/80/92/68/1334809268.db2.gz WHRSUIYCSZNSCZ-BHYGNILZSA-N -1 0 342.439 2.967 10 30 EFEERM C=C(C)Cn1c(-c2nc(Cl)n[nH]2)nnc1N1CC(C)(C)C[C@@H]1C ZINC001355978454 1334923109 /nfs/dbraw/zinc/92/31/09/1334923109.db2.gz WESOJLWNHGDSKM-JTQLQIEISA-N -1 0 335.843 2.918 10 30 EFEERM C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCCC2(CCCC2)C1 ZINC001355989263 1334925770 /nfs/dbraw/zinc/92/57/70/1334925770.db2.gz FXGLLFDZUQZYOP-UHFFFAOYSA-N -1 0 342.447 2.731 10 30 EFEERM C=C(C)Cn1c(-c2cc(=O)n(C)[n-]2)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001356434049 1335035475 /nfs/dbraw/zinc/03/54/75/1335035475.db2.gz TZLXDYZZNNVFCZ-OLZOCXBDSA-N -1 0 330.436 2.585 10 30 EFEERM C=C(C)Cn1c(-c2cc(=O)n(C)[n-]2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001356434050 1335035524 /nfs/dbraw/zinc/03/55/24/1335035524.db2.gz TZLXDYZZNNVFCZ-QWHCGFSZSA-N -1 0 330.436 2.585 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)NCc2nc(C(C)(C)C)co2)cc1C#N ZINC001361563044 1336182596 /nfs/dbraw/zinc/18/25/96/1336182596.db2.gz DFZZPFBWNALANP-UHFFFAOYSA-N -1 0 346.412 2.596 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)N(C)Cc2cc(C#N)cs2)cc1C#N ZINC001361659480 1336253507 /nfs/dbraw/zinc/25/35/07/1336253507.db2.gz JZJOPZXKKDWTSK-UHFFFAOYSA-N -1 0 344.421 2.586 10 30 EFEERM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=[S@]1(=O)CCc2ccccc21 ZINC001361667374 1336258233 /nfs/dbraw/zinc/25/82/33/1336258233.db2.gz AOAHYHXMIGKRGY-NSYGIPOTSA-N -1 0 349.415 2.850 10 30 EFEERM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001361678717 1336266279 /nfs/dbraw/zinc/26/62/79/1336266279.db2.gz UFBFSYOOXLBICH-CQSZACIVSA-N -1 0 339.395 2.781 10 30 EFEERM COCCN(C(=O)c1[n-]c(=O)c(C#N)cc1C)[C@H](C)c1ccccc1 ZINC001361690233 1336274973 /nfs/dbraw/zinc/27/49/73/1336274973.db2.gz CBZPOCCLNHDZTM-CQSZACIVSA-N -1 0 339.395 2.817 10 30 EFEERM COCCN(C(=O)c1[n-]c(=O)c(C#N)cc1C)[C@@H](C)c1ccccc1 ZINC001361690231 1336275004 /nfs/dbraw/zinc/27/50/04/1336275004.db2.gz CBZPOCCLNHDZTM-AWEZNQCLSA-N -1 0 339.395 2.817 10 30 EFEERM N#Cc1csc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)n1 ZINC001361691202 1336275323 /nfs/dbraw/zinc/27/53/23/1336275323.db2.gz KXRNYWDASSKXKY-UHFFFAOYSA-N -1 0 329.278 2.701 10 30 EFEERM CCCN(Cc1ccc(C#N)cc1)C(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001361788485 1336336391 /nfs/dbraw/zinc/33/63/91/1336336391.db2.gz PFFCNGQTXNBWPI-UHFFFAOYSA-N -1 0 334.379 2.891 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC001361798703 1336342834 /nfs/dbraw/zinc/34/28/34/1336342834.db2.gz QNHQGZDNXHHLTA-UHFFFAOYSA-N -1 0 325.343 2.911 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC001361862459 1336382137 /nfs/dbraw/zinc/38/21/37/1336382137.db2.gz GYBZWRKFAZYEAG-UHFFFAOYSA-N -1 0 339.273 2.765 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1nc2c(s1)CCCCC2 ZINC001361878786 1336393078 /nfs/dbraw/zinc/39/30/78/1336393078.db2.gz DAVSPIRKIMXMBO-UHFFFAOYSA-N -1 0 328.397 2.945 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)Nc2nc(C3CC3)c(C)o2)cc1C#N ZINC001361882454 1336395206 /nfs/dbraw/zinc/39/52/06/1336395206.db2.gz FZAGNUXZOUMOQO-UHFFFAOYSA-N -1 0 330.369 2.807 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(C)(C)c1ccccc1F ZINC001361891789 1336400882 /nfs/dbraw/zinc/40/08/82/1336400882.db2.gz UGIHFBDHNYJFEL-UHFFFAOYSA-N -1 0 327.359 2.814 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2cccc(F)c2[C@H]1C ZINC001362007597 1336461380 /nfs/dbraw/zinc/46/13/80/1336461380.db2.gz PCROUIAFHRFCLM-LLVKDONJSA-N -1 0 325.343 2.866 10 30 EFEERM COc1ccc([C@H](C)NC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1F ZINC001362024473 1336469158 /nfs/dbraw/zinc/46/91/58/1336469158.db2.gz NPKQXFUVHWABBS-JTQLQIEISA-N -1 0 329.331 2.606 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(Cc2ccccc2Cl)C1 ZINC001362068098 1336487392 /nfs/dbraw/zinc/48/73/92/1336487392.db2.gz QMKFDCNQDYYRGM-UHFFFAOYSA-N -1 0 341.798 2.935 10 30 EFEERM N#Cc1ccc(CNC(=O)C(F)(F)c2ccccc2C#N)c(F)c1 ZINC001362136215 1336518642 /nfs/dbraw/zinc/51/86/42/1336518642.db2.gz GFTQRJHDLCXBDM-UHFFFAOYSA-N -1 0 329.281 2.977 10 30 EFEERM COc1ccccc1[C@H]1CCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001362213191 1336556604 /nfs/dbraw/zinc/55/66/04/1336556604.db2.gz NBCROISCPYKRLL-OAHLLOKOSA-N -1 0 337.379 2.953 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(Cc1ccc(O)cc1)CC1CC1 ZINC001362234888 1336567187 /nfs/dbraw/zinc/56/71/87/1336567187.db2.gz OJJXOIPKXPFAGF-UHFFFAOYSA-N -1 0 337.379 2.725 10 30 EFEERM COc1cccc(C2=CCN(C(=O)c3[n-]c(=O)c(C#N)cc3C)C2)c1 ZINC001362274606 1336583328 /nfs/dbraw/zinc/58/33/28/1336583328.db2.gz AOQSURGAKYJOGG-UHFFFAOYSA-N -1 0 335.363 2.515 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 ZINC001362438919 1336611163 /nfs/dbraw/zinc/61/11/63/1336611163.db2.gz CUTVQJWHSYKCOA-MRXNPFEDSA-N -1 0 349.390 2.845 10 30 EFEERM CO[C@@H](CNC(=O)c1[n-]c(=O)c(C#N)cc1C)c1ccccc1Cl ZINC001362462082 1336621087 /nfs/dbraw/zinc/62/10/87/1336621087.db2.gz CFGMHOVWDXASDF-AWEZNQCLSA-N -1 0 345.786 2.738 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C2CC2)c2c(C)cccc21 ZINC001362504543 1336637233 /nfs/dbraw/zinc/63/72/33/1336637233.db2.gz MMNDXZSJQZSVNQ-UHFFFAOYSA-N -1 0 348.406 2.905 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cccc(N=S(C)(C)=O)c1 ZINC001362718533 1336715518 /nfs/dbraw/zinc/71/55/18/1336715518.db2.gz TVJFPROFYMXRKD-UHFFFAOYSA-N -1 0 344.396 2.579 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC001362766766 1336733752 /nfs/dbraw/zinc/73/37/52/1336733752.db2.gz DAQALWSOYAJZRK-IVMMDQJWSA-N -1 0 339.782 2.689 10 30 EFEERM CSCc1ccc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1 ZINC001362797859 1336746214 /nfs/dbraw/zinc/74/62/14/1336746214.db2.gz CWMOGWPGTCZUAU-UHFFFAOYSA-N -1 0 327.409 2.760 10 30 EFEERM N#Cc1cccc([C@H]2CN(C(=O)c3s[n-]c(=O)c3Cl)CCO2)c1 ZINC001362817100 1336752987 /nfs/dbraw/zinc/75/29/87/1336752987.db2.gz VBYWNSVSJAGORP-LLVKDONJSA-N -1 0 349.799 2.587 10 30 EFEERM COc1ccc(C)cc1[C@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001362818625 1336753565 /nfs/dbraw/zinc/75/35/65/1336753565.db2.gz MJPPTARWWCYUAP-LBPRGKRZSA-N -1 0 325.368 2.775 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](c2ccccc2F)C1 ZINC001363306595 1336867288 /nfs/dbraw/zinc/86/72/88/1336867288.db2.gz LHTUIOOXYXCQDY-LBPRGKRZSA-N -1 0 325.343 2.736 10 30 EFEERM N#Cc1c[n-]n2c1nc(CN1CCCCC[C@@H]1C(F)(F)F)cc2=O ZINC001363328670 1336877294 /nfs/dbraw/zinc/87/72/94/1336877294.db2.gz KYIWOQBPSYLOPH-GFCCVEGCSA-N -1 0 339.321 2.613 10 30 EFEERM COc1cc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)ccc1OC(F)F ZINC001363495145 1336902885 /nfs/dbraw/zinc/90/28/85/1336902885.db2.gz YXGVYBXFMZBKOP-UHFFFAOYSA-N -1 0 349.293 2.830 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cc(Cl)c2c(c1)OCCO2 ZINC001363769635 1337033444 /nfs/dbraw/zinc/03/34/44/1337033444.db2.gz FCHXFGNAXUUKIX-UHFFFAOYSA-N -1 0 345.742 2.644 10 30 EFEERM Cc1ccc(C2CCN(C(=O)c3[n-]c(=O)c(C#N)cc3C)CC2)cn1 ZINC001417690655 1373156223 /nfs/dbraw/zinc/15/62/23/1373156223.db2.gz YKSXVOXCSZNUEO-UHFFFAOYSA-N -1 0 336.395 2.691 10 30 EFEERM COC(=O)c1cc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)ccc1Cl ZINC001418260813 1373825575 /nfs/dbraw/zinc/82/55/75/1373825575.db2.gz AMQQCFKAWDKJRK-UHFFFAOYSA-N -1 0 345.742 2.660 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC001418278400 1373850788 /nfs/dbraw/zinc/85/07/88/1373850788.db2.gz RXBXFPXQGSZPFG-GFCCVEGCSA-N -1 0 339.370 2.908 10 30 EFEERM CCC(CC)c1nnc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)s1 ZINC001433621193 1386936958 /nfs/dbraw/zinc/93/69/58/1386936958.db2.gz MZUPWJRJKXPGTR-UHFFFAOYSA-N -1 0 331.401 2.975 10 30 EFEERM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])c2ccccc2n(C)c1=O ZINC001447048114 1391673431 /nfs/dbraw/zinc/67/34/31/1391673431.db2.gz IKQWUDJUYVZZCV-UHFFFAOYSA-N -1 0 333.347 2.677 10 30 EFEERM COC[C@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)c1ccc(Cl)cc1 ZINC001448620239 1392115910 /nfs/dbraw/zinc/11/59/10/1392115910.db2.gz XVVJJCLJRXNSDI-AWEZNQCLSA-N -1 0 345.786 2.738 10 30 EFEERM N#Cc1ccc2c(c1)CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC001452409120 1392901342 /nfs/dbraw/zinc/90/13/42/1392901342.db2.gz VMINYRFIYJIIRY-UHFFFAOYSA-N -1 0 343.726 2.981 10 30 EFEERM N#CCc1cccc(NC(=O)c2ccc(Br)cc2[O-])n1 ZINC001455178907 1394573473 /nfs/dbraw/zinc/57/34/73/1394573473.db2.gz SXFSBLYIBBYDRX-UHFFFAOYSA-N -1 0 332.157 2.868 10 30 EFEERM C#C[C@@H](C)NC(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1 ZINC001457774114 1395324212 /nfs/dbraw/zinc/32/42/12/1395324212.db2.gz OYLGUSYATJAKIH-OAHLLOKOSA-N -1 0 345.402 2.774 10 30 EFEERM N#Cc1ccc(F)cc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001458405218 1395460849 /nfs/dbraw/zinc/46/08/49/1395460849.db2.gz LVBWQSMWANNUJR-JTQLQIEISA-N -1 0 329.297 2.592 10 30 EFEERM Cc1nc2c(s1)[C@@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)CCC2 ZINC001466316686 1396746948 /nfs/dbraw/zinc/74/69/48/1396746948.db2.gz ATCBJEDMULQWCZ-LBPRGKRZSA-N -1 0 328.397 2.540 10 30 EFEERM C=CCC(CC=C)C(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC001466724147 1396777890 /nfs/dbraw/zinc/77/78/90/1396777890.db2.gz KXGHYPYEGYVAMU-CQSZACIVSA-N -1 0 349.797 2.966 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1c2ccccc2CC[C@@H]1F ZINC001471503844 1397178844 /nfs/dbraw/zinc/17/88/44/1397178844.db2.gz NNMSFQYKVNIFBJ-HOCLYGCPSA-N -1 0 325.343 2.723 10 30 EFEERM CC#CCNC(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1 ZINC001472538892 1397261198 /nfs/dbraw/zinc/26/11/98/1397261198.db2.gz LCJSGKKWYKYLKY-UHFFFAOYSA-N -1 0 345.402 2.775 10 30 EFEERM CS(C)(=O)=Nc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC001546333036 1413377494 /nfs/dbraw/zinc/37/74/94/1413377494.db2.gz SQUGDKVDNITBTP-UHFFFAOYSA-N -1 0 329.381 2.875 10 30 EFEERM N#Cc1ccc([O-])c(NC(=O)Cc2nc(C(F)(F)F)cs2)c1 ZINC001546334178 1413443394 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C=CC[C@@H](C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1 ZINC000908116555 727100792 /nfs/dbraw/zinc/10/07/92/727100792.db2.gz IKCATPYSODICRC-HUUCEWRRSA-N -1 0 339.395 2.892 10 30 EFEERM C=CCOc1ccc(C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)cc1OC ZINC000908367746 727171117 /nfs/dbraw/zinc/17/11/17/727171117.db2.gz NOVKYPLMJASIGM-GXTWGEPZSA-N -1 0 333.384 2.633 10 30 EFEERM C=CCn1ncc2ccc(NC(=O)N[C@H](CC3CC3)C(=O)[O-])cc21 ZINC000908633281 727229217 /nfs/dbraw/zinc/22/92/17/727229217.db2.gz OFQLGTUGFSDBAG-CQSZACIVSA-N -1 0 328.372 2.597 10 30 EFEERM C=CCCC[C@@H](NC(=O)Nc1ncc(Br)s1)C(=O)[O-] ZINC000908646650 727234002 /nfs/dbraw/zinc/23/40/02/727234002.db2.gz NYUXBEYNCGNFOS-SSDOTTSWSA-N -1 0 348.222 2.837 10 30 EFEERM C=CCCC[C@H](NC(=O)Nc1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000908655391 727236393 /nfs/dbraw/zinc/23/63/93/727236393.db2.gz NWXAIAIKLHNMGJ-INIZCTEOSA-N -1 0 342.399 2.862 10 30 EFEERM C=CCCSCCNC(=O)N1c2cccc(C)c2C[C@@H]1C(=O)[O-] ZINC000908707737 727248856 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C=C(Cl)C[C@@H](NC(=O)CCC[C@H](O)c1ccccc1)C(=O)[O-] ZINC000910270289 727425587 /nfs/dbraw/zinc/42/55/87/727425587.db2.gz HFWQHNINAZAMCQ-KGLIPLIRSA-N -1 0 325.792 2.602 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)[C@@H](C)c1cn(C)c2ccccc12)C(=O)[O-] ZINC000910271049 727425646 /nfs/dbraw/zinc/42/56/46/727425646.db2.gz MDYBVEJWMMGZLP-SMDDNHRTSA-N -1 0 334.803 2.994 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)Cc1nc(C(C)C)c(C)s1)C(=O)[O-] ZINC000910271990 727425915 /nfs/dbraw/zinc/42/59/15/727425915.db2.gz RNEDWFHPYNXBHS-SNVBAGLBSA-N -1 0 330.837 2.829 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)Cc1cc(Cl)cc2c1OCC2)C(=O)[O-] ZINC000910272356 727425930 /nfs/dbraw/zinc/42/59/30/727425930.db2.gz VHPOWBKNZIBSJC-GFCCVEGCSA-N -1 0 344.194 2.529 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)c1cnn(CCC(C)C)c1C)C(=O)[O-] ZINC000910272137 727425963 /nfs/dbraw/zinc/42/59/63/727425963.db2.gz SMRVBLJZCHIXCW-CYBMUJFWSA-N -1 0 327.812 2.563 10 30 EFEERM C=C(C)C[C@@H](NC(=O)c1cc(C)cc(Br)c1)C(=O)[O-] ZINC000910292922 727430983 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EFEERM C=CCCC[C@H](NC(=O)C(C)(C)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000910914509 727471811 /nfs/dbraw/zinc/47/18/11/727471811.db2.gz LFELXRXRMRBXDS-AWEZNQCLSA-N -1 0 347.411 2.661 10 30 EFEERM C=CCCC[C@H](NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1)C(=O)[O-] ZINC000910915722 727471858 /nfs/dbraw/zinc/47/18/58/727471858.db2.gz QJGUFUCZWHMTNH-WQVCFCJDSA-N -1 0 344.411 2.820 10 30 EFEERM C=CCCC[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1)C(=O)[O-] ZINC000910916221 727471918 /nfs/dbraw/zinc/47/19/18/727471918.db2.gz UIAVJEUROGYABJ-MAZHCROVSA-N -1 0 344.411 2.820 10 30 EFEERM C=CCCC[C@H](NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1)C(=O)[O-] ZINC000910915720 727471933 /nfs/dbraw/zinc/47/19/33/727471933.db2.gz QJGUFUCZWHMTNH-MAZHCROVSA-N -1 0 344.411 2.820 10 30 EFEERM C=CCCC[C@H](NC(=O)c1cn(-c2cccc(F)c2)nc1C)C(=O)[O-] ZINC000910917225 727472006 /nfs/dbraw/zinc/47/20/06/727472006.db2.gz OCEWTEYECZMTBA-INIZCTEOSA-N -1 0 345.374 2.859 10 30 EFEERM C=CCCC[C@H](NC(=O)c1cccc(OC)c1OC(F)F)C(=O)[O-] ZINC000910918392 727472044 /nfs/dbraw/zinc/47/20/44/727472044.db2.gz JFYJGAMWKAXAEK-NSHDSACASA-N -1 0 343.326 2.836 10 30 EFEERM C=CCCC[C@H](NC(=O)c1cnn(-c2ccccc2)c1C)C(=O)[O-] ZINC000910919592 727472155 /nfs/dbraw/zinc/47/21/55/727472155.db2.gz YNPBJELLAZPLSM-INIZCTEOSA-N -1 0 327.384 2.720 10 30 EFEERM C=CCCC[C@H](NC(=O)c1ccc(OCC(F)(F)F)cn1)C(=O)[O-] ZINC000910925163 727472312 /nfs/dbraw/zinc/47/23/12/727472312.db2.gz IJOZMGRPYFMFIR-LBPRGKRZSA-N -1 0 346.305 2.562 10 30 EFEERM C=CCCC[C@@H](NC(=O)C[C@H](c1ncc[nH]1)c1ccccc1)C(=O)[O-] ZINC000910925199 727472347 /nfs/dbraw/zinc/47/23/47/727472347.db2.gz JLHKJNNUYRYXLC-JKSUJKDBSA-N -1 0 341.411 2.857 10 30 EFEERM C=C(CC)CNS(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC000916157333 727661853 /nfs/dbraw/zinc/66/18/53/727661853.db2.gz KKRRDNGCQWZCDN-UHFFFAOYSA-N -1 0 325.308 2.535 10 30 EFEERM C=C(C)[C@@H](CC(=O)Nc1nccc(Br)c1[O-])OCC ZINC000913026138 727769944 /nfs/dbraw/zinc/76/99/44/727769944.db2.gz IYDNSNQDCSGPJC-SNVBAGLBSA-N -1 0 329.194 2.860 10 30 EFEERM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)cc2C)c(C)s1 ZINC000129633075 727966565 /nfs/dbraw/zinc/96/65/65/727966565.db2.gz QLNBMPNKNFOTKL-UHFFFAOYSA-N -1 0 334.422 2.664 10 30 EFEERM N#Cc1c(=O)[n-]c(N2CCCCC2)nc1-c1ccc(Br)o1 ZINC000223966731 728070588 /nfs/dbraw/zinc/07/05/88/728070588.db2.gz UOUKETBGPZAKDX-UHFFFAOYSA-N -1 0 349.188 2.654 10 30 EFEERM O=C([N-]S(=O)(=O)Cc1ccccc1)c1cc(-c2ccccc2)n[nH]1 ZINC000069612455 729057051 /nfs/dbraw/zinc/05/70/51/729057051.db2.gz NRYMRSTYALKMHS-UHFFFAOYSA-N -1 0 341.392 2.911 10 30 EFEERM C[C@@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000920789245 729230865 /nfs/dbraw/zinc/23/08/65/729230865.db2.gz HAUYQGKMDGNSLZ-KGLIPLIRSA-N -1 0 334.441 2.721 10 30 EFEERM C[C@@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000920789154 729230992 /nfs/dbraw/zinc/23/09/92/729230992.db2.gz BMVJXZQOIVWVTO-CZUORRHYSA-N -1 0 334.441 2.721 10 30 EFEERM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179813462 729632192 /nfs/dbraw/zinc/63/21/92/729632192.db2.gz RBPWIFPWZAZDOL-UHFFFAOYSA-N -1 0 340.404 2.669 10 30 EFEERM C#C[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccc(Cl)cc1 ZINC001570082128 1085936905 /nfs/dbraw/zinc/93/69/05/1085936905.db2.gz WXQSMRQKSNUYNO-LLVKDONJSA-N -1 0 327.727 2.686 10 30 EFEERM N#CC1(c2ccc(C(=O)Nc3cccc(Cc4nn[nH]n4)c3)cc2)CC1 ZINC001570109355 1085957005 /nfs/dbraw/zinc/95/70/05/1085957005.db2.gz SSYSQRKSBMDQCI-UHFFFAOYSA-N -1 0 344.378 2.598 10 30 EFEERM N#CCc1ccc(CNC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC001570705341 1086472128 /nfs/dbraw/zinc/47/21/28/1086472128.db2.gz GCNQWRJXRISOSG-UHFFFAOYSA-N -1 0 332.363 2.574 10 30 EFEERM C=C(Br)CNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001646723523 1088167630 /nfs/dbraw/zinc/16/76/30/1088167630.db2.gz UOCCPQDDHAHRPX-NWDGAFQWSA-N -1 0 339.189 2.507 10 30 EFEERM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](F)C2)cc1Cl ZINC001647231504 1089139038 /nfs/dbraw/zinc/13/90/38/1089139038.db2.gz AWBQXVUYVPGLEQ-ONGXEEELSA-N -1 0 344.795 2.545 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)CCc1nc2ccccc2s1)C(=O)[O-] ZINC001647327617 1089259088 /nfs/dbraw/zinc/25/90/88/1089259088.db2.gz LZRGOLRLSFUXIC-NSHDSACASA-N -1 0 338.816 2.941 10 30 EFEERM CCCCNc1nc(CC(=O)[N-]Oc2cccc(C#N)c2)cs1 ZINC001648729196 1092259866 /nfs/dbraw/zinc/25/98/66/1092259866.db2.gz BWWZMFLOUINGAH-UHFFFAOYSA-N -1 0 330.413 2.879 10 30 EFEERM C[C@H](Sc1n[nH]c(=O)[n-]1)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000588514632 1092755379 /nfs/dbraw/zinc/75/53/79/1092755379.db2.gz COULMIAMBZFPPU-ADVUTCEVSA-N -1 0 344.440 2.872 10 30 EFEERM N#Cc1cccc(O[N-]C(=O)c2nc(Br)ccc2F)c1 ZINC001587208832 1092790755 /nfs/dbraw/zinc/79/07/55/1092790755.db2.gz PZGKQRRGCANFLN-UHFFFAOYSA-N -1 0 336.120 2.579 10 30 EFEERM N#Cc1cccc(O[N-]C(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC001587208494 1092791381 /nfs/dbraw/zinc/79/13/81/1092791381.db2.gz BAEXSUFGVYHURU-AWEZNQCLSA-N -1 0 336.269 2.721 10 30 EFEERM C=C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1ccccc1 ZINC001587283243 1092798542 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C=C(C)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1F)C(=O)OCC ZINC001622506519 1099519330 /nfs/dbraw/zinc/51/93/30/1099519330.db2.gz PKRSDPHIJTUWDO-LBPRGKRZSA-N -1 0 349.811 2.655 10 30 EFEERM C=CCO[N-]C(=O)Cn1c2ccccc2nc1-c1scnc1C ZINC001624256530 1099677659 /nfs/dbraw/zinc/67/76/59/1099677659.db2.gz YIEAGLFJHIWJJX-UHFFFAOYSA-N -1 0 328.397 2.702 10 30 EFEERM CC[C@H](C)CO[N-]C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC001625216890 1099782814 /nfs/dbraw/zinc/78/28/14/1099782814.db2.gz RUXKSAVAXVRGRY-STQMWFEESA-N -1 0 327.425 2.667 10 30 EFEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](Cc1ccccc1)c1ncco1 ZINC001627605185 1100015002 /nfs/dbraw/zinc/01/50/02/1100015002.db2.gz PWFCWSQHHUOSFF-OAHLLOKOSA-N -1 0 348.362 2.669 10 30 EFEERM C#C[C@@H](NC(=O)c1ncc(Br)cc1[O-])c1ccc(F)cc1 ZINC001628256689 1100083220 /nfs/dbraw/zinc/08/32/20/1100083220.db2.gz BHISORWATDCXKK-GFCCVEGCSA-N -1 0 349.159 2.793 10 30 EFEERM C=C(CC)CNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC001629924072 1100260201 /nfs/dbraw/zinc/26/02/01/1100260201.db2.gz 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10 30 EFEERM Cc1c(C#N)c(=NC(=O)[C@@H](C)c2cccc(Br)c2)[n-]n1C ZINC000592648133 478982278 /nfs/dbraw/zinc/98/22/78/478982278.db2.gz AVZNDDSOXUPQMY-VIFPVBQESA-N -1 0 347.216 2.527 10 30 EFEERM Cc1c(C#N)c(=NC(=O)[C@@H](C)c2ccc(Br)cc2)[n-]n1C ZINC000592654658 478983323 /nfs/dbraw/zinc/98/33/23/478983323.db2.gz SJJKEZOHYJWYPQ-VIFPVBQESA-N -1 0 347.216 2.527 10 30 EFEERM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000528910552 478983398 /nfs/dbraw/zinc/98/33/98/478983398.db2.gz SDEVPGYKIKRVAI-UHFFFAOYSA-N -1 0 345.424 2.678 10 30 EFEERM Cc1cc(Nc2cnn(C(C)(C)C(=O)[O-])c2)cc(C#N)c1[N+](=O)[O-] ZINC000595978158 479087194 /nfs/dbraw/zinc/08/71/94/479087194.db2.gz KZUQBSOVHVMEHX-UHFFFAOYSA-N -1 0 329.316 2.535 10 30 EFEERM N#Cc1cnc2ccc(OC(F)F)cc2c1NCC1(C(=O)[O-])CCC1 ZINC000595978552 479087741 /nfs/dbraw/zinc/08/77/41/479087741.db2.gz YNZNAAWDRVMSKK-UHFFFAOYSA-N -1 0 347.321 2.797 10 30 EFEERM CCc1cc(S(=O)(=O)[N-]c2ncccc2C#N)c(C)cc1OC ZINC000601964337 479097545 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C=C(C)C[C@@H](NC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C)C(=O)[O-] ZINC000630477611 480736186 /nfs/dbraw/zinc/73/61/86/480736186.db2.gz JVUGHOXRGIUXIK-BXUZGUMPSA-N -1 0 336.436 2.726 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NC[C@@H](OC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000630477873 480736883 /nfs/dbraw/zinc/73/68/83/480736883.db2.gz LGPNDTNAIZSMSR-ZIAGYGMSSA-N -1 0 340.807 2.746 10 30 EFEERM C=C(C)C[C@H](NC(=O)NC[C@@H]1SCCc2ccccc21)C(=O)[O-] ZINC000630478394 480737261 /nfs/dbraw/zinc/73/72/61/480737261.db2.gz IXUDFKOSXXUVGV-GJZGRUSLSA-N -1 0 334.441 2.736 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NCc1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000630482051 480740446 /nfs/dbraw/zinc/74/04/46/480740446.db2.gz APKXCGRAWIVYCX-LLVKDONJSA-N -1 0 346.305 2.646 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NCc1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000630493401 480747093 /nfs/dbraw/zinc/74/70/93/480747093.db2.gz KIBPOLZMRWBVGX-SECBINFHSA-N -1 0 336.335 2.986 10 30 EFEERM C=C(C)C[C@H](NC(=O)NCc1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000630493425 480747497 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342.779 2.559 10 30 EFEERM CC(C)Cn1ncc2cc(C(=O)Nc3cc(C#N)ccc3[O-])cnc21 ZINC000748411558 1313912951 /nfs/dbraw/zinc/91/29/51/1313912951.db2.gz SUMCMBGTSPTHLW-UHFFFAOYSA-N -1 0 335.367 2.917 10 30 EFEERM C=C(C)CO[N-]C(=O)[C@@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C ZINC000869153400 1304634471 /nfs/dbraw/zinc/63/44/71/1304634471.db2.gz SBEFFNXIBRGTKZ-HNNXBMFYSA-N -1 0 348.399 2.682 10 30 EFEERM C#CC[C@@H]1CCN(C(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC000869395100 1304757566 /nfs/dbraw/zinc/75/75/66/1304757566.db2.gz ZBTLWFKGHLTHBT-SECBINFHSA-N -1 0 326.165 2.779 10 30 EFEERM CCC(C)(C)CS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000870662054 1305481455 /nfs/dbraw/zinc/48/14/55/1305481455.db2.gz IBPIDAHDWIHHRE-UHFFFAOYSA-N -1 0 336.457 2.718 10 30 EFEERM CC[C@H](C(=O)[N-]Oc1cccc(C#N)c1)N(C)C(=O)OC(C)(C)C ZINC000870689993 1305502091 /nfs/dbraw/zinc/50/20/91/1305502091.db2.gz GQAURKULPVKGBK-CQSZACIVSA-N -1 0 333.388 2.614 10 30 EFEERM C[C@@]1(C(=O)[N-]Oc2cccc(C#N)c2)CCCN1C(=O)c1ccccc1 ZINC000870692855 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ZINC000048554488 722636638 /nfs/dbraw/zinc/63/66/38/722636638.db2.gz FVOOPAVTJVMKKP-RISCZKNCSA-N -1 0 338.429 2.716 10 30 EFEERM C=C(C)[C@H](CC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1)OCC ZINC000909502561 723832392 /nfs/dbraw/zinc/83/23/92/723832392.db2.gz FXRMZAKWKVZLMT-QWRGUYRKSA-N -1 0 326.418 2.698 10 30 EFEERM CC(C)[C@H](Oc1ccccc1C#N)C(=O)[N-]OCc1cccnc1 ZINC000152650134 726204437 /nfs/dbraw/zinc/20/44/37/726204437.db2.gz CRTORDUBQJRHCR-KRWDZBQOSA-N -1 0 325.368 2.605 10 30 EFEERM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1 ZINC000907300239 726910592 /nfs/dbraw/zinc/91/05/92/726910592.db2.gz MIKIMESIDQOLSN-UHFFFAOYSA-N -1 0 335.809 2.600 10 30 EFEERM C=C[C@H](CC(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1)c1ccccc1 ZINC000907910535 727051332 /nfs/dbraw/zinc/05/13/32/727051332.db2.gz GLNBGRBMSCGAFM-LSDHHAIUSA-N -1 0 331.412 2.732 10 30 EFEERM C=CCc1ccc(OCC(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)c(OC)c1 ZINC000908364259 727170505 /nfs/dbraw/zinc/17/05/05/727170505.db2.gz CRJPQAZBKFANSC-LSDHHAIUSA-N -1 0 347.411 2.562 10 30 EFEERM C=CCn1ncc2ccc(NC(=O)N[C@](C)(C(=O)[O-])C3CC3)cc21 ZINC000908633043 727229228 /nfs/dbraw/zinc/22/92/28/727229228.db2.gz LGTGZWJGTFBVMY-KRWDZBQOSA-N -1 0 328.372 2.597 10 30 EFEERM C=CCn1ncc2ccc(NC(=O)N3CC[C@@H](C)C[C@H]3C(=O)[O-])cc21 ZINC000908633646 727229413 /nfs/dbraw/zinc/22/94/13/727229413.db2.gz YRNJHUFQNGDXFP-WBMJQRKESA-N -1 0 342.399 2.939 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)Nc1nc2c(s1)CCCC2)C(=O)[O-] ZINC000908636035 727229801 /nfs/dbraw/zinc/22/98/01/727229801.db2.gz NVLLGZMKWLJWJE-SECBINFHSA-N -1 0 329.809 2.739 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)Nc1cnn([C@@H](C)C2CC2)c1)C(=O)[O-] ZINC000908685311 727241595 /nfs/dbraw/zinc/24/15/95/727241595.db2.gz FQTISLINUZVKHJ-CABZTGNLSA-N -1 0 326.784 2.571 10 30 EFEERM C=CCCC[C@@H](NC(=O)Nc1nc2c(s1)CSCC2)C(=O)[O-] ZINC000908677911 727245161 /nfs/dbraw/zinc/24/51/61/727245161.db2.gz JDTSAHREOXBNAY-SNVBAGLBSA-N -1 0 341.458 2.863 10 30 EFEERM C=CCCSCCNC(=O)N1c2cccc(C)c2C[C@H]1C(=O)[O-] ZINC000908707736 727248961 /nfs/dbraw/zinc/24/89/61/727248961.db2.gz JDLRVVQSKZEIGM-HNNXBMFYSA-N -1 0 334.441 2.830 10 30 EFEERM C=C(C)C[C@H](NC(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C)C(=O)[O-] ZINC000908751961 727256740 /nfs/dbraw/zinc/25/67/40/727256740.db2.gz IBJJVNWAVROLNN-DLBZAZTESA-N -1 0 347.459 2.570 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000908770926 727260351 /nfs/dbraw/zinc/26/03/51/727260351.db2.gz AKKKRTGKTMXCMU-GFCCVEGCSA-N -1 0 330.306 2.924 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NC[C@@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000908888492 727282114 /nfs/dbraw/zinc/28/21/14/727282114.db2.gz SAAXWVCVBQFOSM-RNCFNFMXSA-N -1 0 328.771 2.824 10 30 EFEERM C=CCCC[C@H](NC(=O)NCc1cccc2cccnc21)C(=O)[O-] ZINC000908911214 727287112 /nfs/dbraw/zinc/28/71/12/727287112.db2.gz WRDVPGWIXAKOPL-HNNXBMFYSA-N -1 0 327.384 2.844 10 30 EFEERM C=C(C)C[C@H](NC(=O)NCC(C)(C)c1cccc(OC)c1)C(=O)[O-] ZINC000909053141 727314730 /nfs/dbraw/zinc/31/47/30/727314730.db2.gz FWVJVPPTDWSTPX-HNNXBMFYSA-N -1 0 334.416 2.691 10 30 EFEERM C=CCCC[C@H](NC(=O)N[C@@H]1CCO[C@H](CC(C)C)C1)C(=O)[O-] ZINC000909108192 727329836 /nfs/dbraw/zinc/32/98/36/727329836.db2.gz QHQHFSBRYXKDKT-KFWWJZLASA-N -1 0 326.437 2.689 10 30 EFEERM C=CCCC[C@@H](NC(=O)NC[C@@H]1CC12CCSCC2)C(=O)[O-] ZINC000909108932 727330130 /nfs/dbraw/zinc/33/01/30/727330130.db2.gz KOZGHZHUDWFBHB-QWHCGFSZSA-N -1 0 326.462 2.628 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)NCc1c(F)cccc1SC)C(=O)[O-] ZINC000909148395 727336495 /nfs/dbraw/zinc/33/64/95/727336495.db2.gz LENCQPDZCFUGME-NSHDSACASA-N -1 0 346.811 2.943 10 30 EFEERM C=C(C)C[C@H](NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO)C(=O)[O-] ZINC000909161482 727339918 /nfs/dbraw/zinc/33/99/18/727339918.db2.gz LHUZMFFLGMBNIP-HOTGVXAUSA-N -1 0 348.443 2.507 10 30 EFEERM C=C(C)C[C@H](NC(=O)NCCC1CC(OC(C)(C)C)C1)C(=O)[O-] ZINC000909203834 727343862 /nfs/dbraw/zinc/34/38/62/727343862.db2.gz OFXKRSQPASHGLD-RUXDESIVSA-N -1 0 326.437 2.689 10 30 EFEERM C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000909238556 727350916 /nfs/dbraw/zinc/35/09/16/727350916.db2.gz QBTACSVKSPXJRA-BBWFWOEESA-N -1 0 346.427 2.825 10 30 EFEERM C=CCCC[C@@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)c1ccccc1 ZINC000909285190 727359192 /nfs/dbraw/zinc/35/91/92/727359192.db2.gz WYIZHRRVQDUVGW-MRXNPFEDSA-N -1 0 331.412 2.565 10 30 EFEERM C=CCC[C@H](NC(=O)c1noc2c1CCc1ccccc1-2)C(=O)[O-] ZINC000909713578 727366281 /nfs/dbraw/zinc/36/62/81/727366281.db2.gz GCNGHXXAHJYQEP-AWEZNQCLSA-N -1 0 326.352 2.589 10 30 EFEERM C=CCC[C@@H](NC(=O)c1noc2c1CCc1ccccc1-2)C(=O)[O-] ZINC000909713580 727366424 /nfs/dbraw/zinc/36/64/24/727366424.db2.gz GCNGHXXAHJYQEP-CQSZACIVSA-N -1 0 326.352 2.589 10 30 EFEERM C=CCC[C@H](NC(=O)c1ccc2c(c1)nc(C(F)F)n2C)C(=O)[O-] ZINC000909717369 727368024 /nfs/dbraw/zinc/36/80/24/727368024.db2.gz YVRBLQNOJVVHRY-JTQLQIEISA-N -1 0 337.326 2.660 10 30 EFEERM C=C(C)[C@@H](CC(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)[O-])OCC ZINC000909815022 727382828 /nfs/dbraw/zinc/38/28/28/727382828.db2.gz DJZQWOXGVMSLHN-HUUCEWRRSA-N -1 0 339.819 2.823 10 30 EFEERM C=C1CCC(C(=O)N2CCC(n3ncc(C(=O)[O-])c3C)CC2)CC1 ZINC000909817917 727383622 /nfs/dbraw/zinc/38/36/22/727383622.db2.gz HIDHANSNQPVSLZ-UHFFFAOYSA-N -1 0 331.416 2.800 10 30 EFEERM C#CC[C@H](NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000910045420 727407833 /nfs/dbraw/zinc/40/78/33/727407833.db2.gz DEIFWNGHDBFWCW-LBPRGKRZSA-N -1 0 327.302 2.733 10 30 EFEERM C=C(C)[C@@H](CC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)OCC ZINC000910208283 727421193 /nfs/dbraw/zinc/42/11/93/727421193.db2.gz GWYADYFIKHZSOQ-MRXNPFEDSA-N -1 0 335.375 2.780 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)c1cc(C2CCCCC2)n[nH]1)C(=O)[O-] ZINC000910264703 727424985 /nfs/dbraw/zinc/42/49/85/727424985.db2.gz COLHLGHHLRTXRZ-CYBMUJFWSA-N -1 0 325.796 2.783 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)c1ccn(C2CCCCC2)n1)C(=O)[O-] ZINC000910270048 727425468 /nfs/dbraw/zinc/42/54/68/727425468.db2.gz GRZSCMCPZQHRGD-CYBMUJFWSA-N -1 0 325.796 2.714 10 30 EFEERM C=C(Cl)C[C@H](NC(=O)c1ccc(OC2CC2)cc1OC)C(=O)[O-] ZINC000910269442 727425586 /nfs/dbraw/zinc/42/55/86/727425586.db2.gz BMECUVAXBKNRLB-ZDUSSCGKSA-N -1 0 339.775 2.562 10 30 EFEERM C=C(Cl)C[C@@H](NC(=O)C[C@@H]1CCc2sccc2C1=O)C(=O)[O-] ZINC000910272324 727425838 /nfs/dbraw/zinc/42/58/38/727425838.db2.gz URBNDSDMFOUKKK-GXSJLCMTSA-N -1 0 341.816 2.595 10 30 EFEERM C=C(C)C[C@@H](NC(=O)c1cc(Cl)c(O)c(OCC)c1)C(=O)[O-] ZINC000910291124 727430780 /nfs/dbraw/zinc/43/07/80/727430780.db2.gz DNZOPQGVEUJITH-LLVKDONJSA-N -1 0 327.764 2.594 10 30 EFEERM C=CCCC[C@@H](C(=O)N1CCO[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000910331310 727431675 /nfs/dbraw/zinc/43/16/75/727431675.db2.gz NHJYTUMCYBXLFE-VQIMIIECSA-N -1 0 331.412 2.829 10 30 EFEERM C=CCCC[C@@H](NC(=O)c1cccc(OC[C@H]2CCCO2)c1)C(=O)[O-] ZINC000910914125 727471640 /nfs/dbraw/zinc/47/16/40/727471640.db2.gz IELCESUICSGOLN-IAGOWNOFSA-N -1 0 347.411 2.784 10 30 EFEERM C=CCCC[C@H](NC(=O)Cc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000910913737 727471708 /nfs/dbraw/zinc/47/17/08/727471708.db2.gz BJIKHYZGRRKNHY-ZDUSSCGKSA-N -1 0 325.792 2.817 10 30 EFEERM C=CCCC[C@@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)C(=O)[O-] ZINC000910914294 727471783 /nfs/dbraw/zinc/47/17/83/727471783.db2.gz FZXLKHLMSYVUPJ-MRXNPFEDSA-N -1 0 349.402 2.800 10 30 EFEERM C=CCCC[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)[O-] ZINC000910914770 727471809 /nfs/dbraw/zinc/47/18/09/727471809.db2.gz JUCIAPNVXZNXLB-HNNXBMFYSA-N -1 0 330.384 2.574 10 30 EFEERM C=CCCC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000910916360 727471908 /nfs/dbraw/zinc/47/19/08/727471908.db2.gz VGDOXQHIEMLIEY-CFRMROPGSA-N -1 0 333.384 2.643 10 30 EFEERM C=CCCC[C@@H](NC(=O)Cc1c(C)nn(CC(C)C)c1C)C(=O)[O-] ZINC000910919235 727472146 /nfs/dbraw/zinc/47/21/46/727472146.db2.gz VBYGZWWPDFKFJL-MRXNPFEDSA-N -1 0 335.448 2.624 10 30 EFEERM C=CCCC[C@H](NC(=O)c1cc(-c2csc(C)n2)c[nH]1)C(=O)[O-] ZINC000910919534 727472151 /nfs/dbraw/zinc/47/21/51/727472151.db2.gz WWMPFIANKKDZIY-LBPRGKRZSA-N -1 0 333.413 2.986 10 30 EFEERM C=CCCC[C@H](NC(=O)C(F)(F)c1ccccc1OC)C(=O)[O-] ZINC000910922626 727472201 /nfs/dbraw/zinc/47/22/01/727472201.db2.gz LKTVYDHIVLRJSZ-LBPRGKRZSA-N -1 0 327.327 2.713 10 30 EFEERM C=CCCC[C@@H](NC(=O)c1sc([C@H](C)OC)nc1C)C(=O)[O-] ZINC000910924841 727472324 /nfs/dbraw/zinc/47/23/24/727472324.db2.gz FIIJITUCMJDSRC-WDEREUQCSA-N -1 0 326.418 2.698 10 30 EFEERM C=CCCC[C@H](NC(=O)c1sc([C@@H](C)OC)nc1C)C(=O)[O-] ZINC000910924839 727472400 /nfs/dbraw/zinc/47/24/00/727472400.db2.gz FIIJITUCMJDSRC-MNOVXSKESA-N -1 0 326.418 2.698 10 30 EFEERM C=C1CC(C)(C(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)C1 ZINC000911316924 727527721 /nfs/dbraw/zinc/52/77/21/727527721.db2.gz CXRGMKZZYWMAFX-CQSZACIVSA-N -1 0 328.412 2.778 10 30 EFEERM CCCN(CCC)c1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1 ZINC000916303952 727675176 /nfs/dbraw/zinc/67/51/76/727675176.db2.gz WEVLUPCRKBITAO-UHFFFAOYSA-N -1 0 345.472 2.744 10 30 EFEERM O=[N+]([O-])c1cc(CN=Nc2c(F)c(F)nc(F)c2F)ccc1[O-] ZINC000916326629 727675576 /nfs/dbraw/zinc/67/55/76/727675576.db2.gz GBLQRMJHYIBQHU-UHFFFAOYSA-N -1 0 330.197 2.698 10 30 EFEERM O=[N+]([O-])c1ccc([O-])c(CN=Nc2c(F)c(F)nc(F)c2F)c1 ZINC000916325334 727675650 /nfs/dbraw/zinc/67/56/50/727675650.db2.gz ILRFBGAGCJWGFC-UHFFFAOYSA-N -1 0 330.197 2.698 10 30 EFEERM O=C([O-])COc1cccc(C(=O)/C=C\c2cnn(-c3ccccc3)n2)c1 ZINC000916549332 727697037 /nfs/dbraw/zinc/69/70/37/727697037.db2.gz LVTRVYQFVIPSRQ-KTKRTIGZSA-N -1 0 349.346 2.627 10 30 EFEERM C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1)CC(C)(C)C ZINC000916777947 727736660 /nfs/dbraw/zinc/73/66/60/727736660.db2.gz YMPIVCOZACEDSV-CYBMUJFWSA-N -1 0 336.457 2.967 10 30 EFEERM Cc1nn(C)c(C)c1[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000060766383 728422883 /nfs/dbraw/zinc/42/28/83/728422883.db2.gz YRKVRJIKLFJAPQ-LLVKDONJSA-N -1 0 335.429 2.627 10 30 EFEERM C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000171796382 728553722 /nfs/dbraw/zinc/55/37/22/728553722.db2.gz ZEULFZDPBXSMPM-FMIVXFBMSA-N -1 0 344.367 2.606 10 30 EFEERM COc1ccc(F)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000069567527 729002785 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Cn1cnc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)n1 ZINC000354987250 242018467 /nfs/dbraw/zinc/01/84/67/242018467.db2.gz DRVPOBLKQNKEPJ-QMMMGPOBSA-N -1 0 345.334 2.707 10 30 EFEERM Cc1nn(C)c(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1C(F)F ZINC000414442704 244165282 /nfs/dbraw/zinc/16/52/82/244165282.db2.gz MIBXJWBAZORLBP-UHFFFAOYSA-N -1 0 340.355 2.647 10 30 EFEERM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416939962 244924202 /nfs/dbraw/zinc/92/42/02/244924202.db2.gz OBYNSFPFCRXUBN-GFCCVEGCSA-N -1 0 330.413 2.761 10 30 EFEERM C=C(C)C[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1OC ZINC000263264373 245374934 /nfs/dbraw/zinc/37/49/34/245374934.db2.gz KMCVSQHIFPHNPW-IUODEOHRSA-N -1 0 335.400 2.938 10 30 EFEERM C=CCC1(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)CCOCC1 ZINC000425235910 247009233 /nfs/dbraw/zinc/00/92/33/247009233.db2.gz DTKAHOBGQLNOLT-MRXNPFEDSA-N -1 0 331.412 2.652 10 30 EFEERM CSCCc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 ZINC000427208269 247329373 /nfs/dbraw/zinc/32/93/73/247329373.db2.gz CNDUKQABLLEZBT-UHFFFAOYSA-N -1 0 347.465 2.968 10 30 EFEERM Cc1ncc(S(=O)(=O)[N-]c2ccccc2N(C)C(C)C)cc1C#N ZINC000427782936 247394019 /nfs/dbraw/zinc/39/40/19/247394019.db2.gz LKMPJBFAVVSHJM-UHFFFAOYSA-N -1 0 344.440 2.907 10 30 EFEERM CSCC[C@H](C)N(C)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000434391526 248148948 /nfs/dbraw/zinc/14/89/48/248148948.db2.gz SJRBGHYBZWLIPC-VIFPVBQESA-N -1 0 325.459 2.594 10 30 EFEERM CC(=Cc1ncc(C(F)(F)F)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435338721 248226865 /nfs/dbraw/zinc/22/68/65/248226865.db2.gz IMTSULCDXUXCLZ-UTCJRWHESA-N -1 0 326.303 2.986 10 30 EFEERM N#CCc1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442830035 250127243 /nfs/dbraw/zinc/12/72/43/250127243.db2.gz XANRRSOXCXTFBT-UHFFFAOYSA-N -1 0 341.314 2.967 10 30 EFEERM CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000095394268 218325581 /nfs/dbraw/zinc/32/55/81/218325581.db2.gz FCAQHJDWHSRGLZ-QMMMGPOBSA-N -1 0 339.385 2.932 10 30 EFEERM C=C(C)C[C@H]1N(c2ccccc2C)C(=O)[C@H]2[C@H](C(=O)[O-])[C@@H]3C=C[C@]12O3 ZINC000005981980 210572408 /nfs/dbraw/zinc/57/24/08/210572408.db2.gz INFSPPRSFZBLBY-HRJHHYPFSA-N -1 0 339.391 2.701 10 30 EFEERM Cc1nn(C)c(C)c1C=CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000096404470 218754228 /nfs/dbraw/zinc/75/42/28/218754228.db2.gz AEOJCTIZCKUYPJ-HJWRWDBZSA-N -1 0 337.376 2.535 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)Nc2cc3n[nH]cc3c(C)c2)cc1C#N ZINC000347590249 142240954 /nfs/dbraw/zinc/24/09/54/142240954.db2.gz SNSRZEATCUDLLV-UHFFFAOYSA-N -1 0 339.380 2.818 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)cc1C#N ZINC000348079662 142318238 /nfs/dbraw/zinc/31/82/38/142318238.db2.gz QEONUKAXYDXJKM-QWHCGFSZSA-N -1 0 349.456 2.704 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)cc1C#N ZINC000349756559 142355336 /nfs/dbraw/zinc/35/53/36/142355336.db2.gz IHRAZMKCCDGIBV-UHFFFAOYSA-N -1 0 345.428 2.945 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)NC[C@H](C)c2ncc(C)s2)cc1C#N ZINC000349858877 142369155 /nfs/dbraw/zinc/36/91/55/142369155.db2.gz SGECBHNKPFSFFI-QMMMGPOBSA-N -1 0 348.453 2.679 10 30 EFEERM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)c(F)c1 ZINC000342582324 145153616 /nfs/dbraw/zinc/15/36/16/145153616.db2.gz GVLVEKBTPAFHPB-CQSZACIVSA-N -1 0 348.374 2.672 10 30 EFEERM N#Cc1ccc(CC(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000344313650 145418330 /nfs/dbraw/zinc/41/83/30/145418330.db2.gz ZEUWPIBDBIQPAU-UHFFFAOYSA-N -1 0 326.406 2.741 10 30 EFEERM Cc1cn2cc([N-]S(=O)(=O)c3cccc(Cl)c3C#N)ccc2n1 ZINC000350741818 146086275 /nfs/dbraw/zinc/08/62/75/146086275.db2.gz REBPSWKLSQEXCL-UHFFFAOYSA-N -1 0 346.799 2.969 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)NC2(Cc3ccccc3)CC2)cc1C#N ZINC000356406343 147236013 /nfs/dbraw/zinc/23/60/13/147236013.db2.gz LGMUQVQDZOSNNJ-UHFFFAOYSA-N -1 0 339.420 2.886 10 30 EFEERM N#Cc1ncccc1S(=O)(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000365406941 149390024 /nfs/dbraw/zinc/39/00/24/149390024.db2.gz UJPWOYJCDMLRHW-QGZVFWFLSA-N -1 0 339.376 2.614 10 30 EFEERM N#Cc1c(F)cccc1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000376936926 151794458 /nfs/dbraw/zinc/79/44/58/151794458.db2.gz HQBGVGZUOQUJRJ-UHFFFAOYSA-N -1 0 330.369 2.952 10 30 EFEERM CC1(c2nc(=NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)s[n-]2)CC1 ZINC000529696751 266984934 /nfs/dbraw/zinc/98/49/34/266984934.db2.gz LZXWPQJMAKFOLI-UHFFFAOYSA-N -1 0 342.399 2.693 10 30 EFEERM COc1cccc(-c2nc(=NC(=O)c3ccc(C#N)s3)s[n-]2)c1 ZINC000487276815 267650654 /nfs/dbraw/zinc/65/06/54/267650654.db2.gz DYVMQGVNZDQENO-UHFFFAOYSA-N -1 0 342.405 2.821 10 30 EFEERM Cn1cc([N-]S(=O)(=O)c2ccc(C#N)o2)c(C2CCCCC2)n1 ZINC000296754897 267806689 /nfs/dbraw/zinc/80/66/89/267806689.db2.gz PYUTYEGBELMDHA-UHFFFAOYSA-N -1 0 334.401 2.733 10 30 EFEERM CC(C)(C)n1cnc(=NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[n-]1 ZINC000416991219 278582848 /nfs/dbraw/zinc/58/28/48/278582848.db2.gz XSYJTNFGFJRUMH-OAHLLOKOSA-N -1 0 338.415 2.526 10 30 EFEERM CN(C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000071822565 289227380 /nfs/dbraw/zinc/22/73/80/289227380.db2.gz MGWNKWXWCBTQGN-NXEZZACHSA-N -1 0 336.335 2.572 10 30 EFEERM N#C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCN1C1CC1 ZINC000371327783 303162288 /nfs/dbraw/zinc/16/22/88/303162288.db2.gz OWZSSOYNNQLPTC-CYBMUJFWSA-N -1 0 326.227 2.871 10 30 EFEERM N#Cc1cc(C(=O)c2ccccc2[O-])cn2c(=O)c3ccccc3nc12 ZINC000007714888 303180091 /nfs/dbraw/zinc/18/00/91/303180091.db2.gz GNPBYEXDHOXBSQ-UHFFFAOYSA-N -1 0 341.326 2.656 10 30 EFEERM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC[C@@H]2C2CC2)c1 ZINC000408493472 303205278 /nfs/dbraw/zinc/20/52/78/303205278.db2.gz APLZGGPVINQILC-CVEARBPZSA-N -1 0 332.425 2.580 10 30 EFEERM Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1cccc(C#N)c1 ZINC000134531928 310642736 /nfs/dbraw/zinc/64/27/36/310642736.db2.gz PCEPBCFOLBMRDJ-QGZVFWFLSA-N -1 0 332.363 2.531 10 30 EFEERM Cc1cc(C)c(NS(=O)(=O)Cc2cccc(C#N)c2)c(C(=O)[O-])c1 ZINC000324939062 311242582 /nfs/dbraw/zinc/24/25/82/311242582.db2.gz WVHVZOZJZFNDLG-UHFFFAOYSA-N -1 0 344.392 2.815 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)NCC(C)(C)C(F)(F)F)cc1C#N ZINC000549120072 318166489 /nfs/dbraw/zinc/16/64/89/318166489.db2.gz RMSMIYQDGJOKQK-UHFFFAOYSA-N -1 0 333.335 2.699 10 30 EFEERM Cc1ncc(S(=O)(=O)[N-]c2ccc(C3CCC3)cn2)cc1C#N ZINC000562706802 318688064 /nfs/dbraw/zinc/68/80/64/318688064.db2.gz YQTZPVCQGRUDCB-UHFFFAOYSA-N -1 0 328.397 2.725 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)NC[C@@H]2CC23CCSCC3)cc1C#N ZINC000569346614 319372350 /nfs/dbraw/zinc/37/23/50/319372350.db2.gz CHYYDLKRAYEUJZ-NSHDSACASA-N -1 0 349.481 2.644 10 30 EFEERM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)ccc1C#N ZINC000578110949 320173181 /nfs/dbraw/zinc/17/31/81/320173181.db2.gz PMOOKLXQMAZDBQ-UHFFFAOYSA-N -1 0 344.392 2.983 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)N2CCc3c2cccc3Cl)cc1C#N ZINC000155656856 472589360 /nfs/dbraw/zinc/58/93/60/472589360.db2.gz RISDJLWLMKMDCY-UHFFFAOYSA-N -1 0 345.811 2.825 10 30 EFEERM Cn1cc(-c2ncc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)s2)cn1 ZINC000112222409 473249626 /nfs/dbraw/zinc/24/96/26/473249626.db2.gz JAOBKMXNBYBYBL-LLVKDONJSA-N -1 0 348.391 2.910 10 30 EFEERM CCn1nc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1C1CC1 ZINC000531180291 468033921 /nfs/dbraw/zinc/03/39/21/468033921.db2.gz BXEZMSQAVYCFIL-UHFFFAOYSA-N -1 0 343.412 2.727 10 30 EFEERM CC(C)(C)n1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cn1 ZINC000096179245 473323306 /nfs/dbraw/zinc/32/33/06/473323306.db2.gz LHYFXHITERIIDE-FPLPWBNLSA-N -1 0 328.368 2.998 10 30 EFEERM C=C(C)Cc1c(C)[n-]n(S(=O)(=O)c2ccc(Cl)cc2)c1=O ZINC000000130713 471327138 /nfs/dbraw/zinc/32/71/38/471327138.db2.gz GXJYJOFCMRDCBT-ZDUSSCGKSA-N -1 0 326.805 2.829 10 30 EFEERM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000622134952 479920948 /nfs/dbraw/zinc/92/09/48/479920948.db2.gz SBVXNHJHGRUAAP-WFASDCNBSA-N -1 0 327.384 2.895 10 30 EFEERM C=CCNC(=O)CCCCCn1c(=O)c2sccc2[n-]c1=S ZINC000002925562 471427212 /nfs/dbraw/zinc/42/72/12/471427212.db2.gz DIFFLGRDBLSDQU-UHFFFAOYSA-N -1 0 337.470 2.983 10 30 EFEERM Cc1ccc(NC(=S)N/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000003195150 471434959 /nfs/dbraw/zinc/43/49/59/471434959.db2.gz SSYLUXGUUQGTTK-CXUHLZMHSA-N -1 0 330.369 2.929 10 30 EFEERM N#Cc1cc(C(=O)c2ccccc2[O-])cn(CCc2ccccc2)c1=O ZINC000003287220 471440945 /nfs/dbraw/zinc/44/09/45/471440945.db2.gz JDFNGJVGJLMFHU-UHFFFAOYSA-N -1 0 344.370 2.899 10 30 EFEERM C=C(C)C[C@@H]1N(c2ccccc2C)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@]12O3 ZINC000005981981 471528032 /nfs/dbraw/zinc/52/80/32/471528032.db2.gz INFSPPRSFZBLBY-ZTTBQOKTSA-N -1 0 339.391 2.701 10 30 EFEERM N#Cc1c(N)sc(C(=O)[O-])c1CSc1ccc2c(c1)OCCO2 ZINC000008727098 471701589 /nfs/dbraw/zinc/70/15/89/471701589.db2.gz PSXHHUNHSVSYCE-UHFFFAOYSA-N -1 0 348.405 2.964 10 30 EFEERM Cc1ccccc1CC[NH2+][C@H](c1cccc(C#N)c1)P(=O)([O-])[O-] ZINC000012949467 471807660 /nfs/dbraw/zinc/80/76/60/471807660.db2.gz LFDAFMLFVDBPMM-KRWDZBQOSA-N -1 0 330.324 2.875 10 30 EFEERM N#Cc1cccc(S(=O)(=O)c2cnc3cc(C#N)ccc3c2[O-])c1 ZINC000015829348 471918424 /nfs/dbraw/zinc/91/84/24/471918424.db2.gz WYXWMBKYEYYNGP-UHFFFAOYSA-N -1 0 335.344 2.517 10 30 EFEERM Cc1csc(C(C#N)=C([O-])c2cn(Cc3cccs3)nn2)n1 ZINC000076089778 472267589 /nfs/dbraw/zinc/26/75/89/472267589.db2.gz RNPCWEOWCCUWMP-NSHDSACASA-N -1 0 329.410 2.643 10 30 EFEERM O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000088814890 472387857 /nfs/dbraw/zinc/38/78/57/472387857.db2.gz VKKJWBXZPKZUSV-CYBMUJFWSA-N -1 0 334.397 2.839 10 30 EFEERM Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc12 ZINC000089267722 472403336 /nfs/dbraw/zinc/40/33/36/472403336.db2.gz STTVVADABISLCW-UHFFFAOYSA-N -1 0 347.787 2.592 10 30 EFEERM Cc1cc(C(=O)CSc2[n-]c(=O)nc(C)c2C#N)c(C)n1C(C)C ZINC000032776390 472466726 /nfs/dbraw/zinc/46/67/26/472466726.db2.gz GWCZVTPYIHTORX-UHFFFAOYSA-N -1 0 344.440 2.924 10 30 EFEERM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nncn1Cc1ccccc1 ZINC000117733293 472476968 /nfs/dbraw/zinc/47/69/68/472476968.db2.gz BWIRPARQSSZITJ-CQSZACIVSA-N -1 0 347.378 2.604 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)NCCc2ccc(F)cc2F)cc1C#N ZINC000069974386 472478387 /nfs/dbraw/zinc/47/83/87/472478387.db2.gz RCLODRYVTSUGGT-UHFFFAOYSA-N -1 0 349.362 2.631 10 30 EFEERM CCNC(=O)N1CC[C@@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000155057904 472504390 /nfs/dbraw/zinc/50/43/90/472504390.db2.gz QEGUVUKFHHBWHA-MBCCIFHSSA-N -1 0 330.215 2.922 10 30 EFEERM CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)c2occc2C)ccc1F ZINC000100830729 472529219 /nfs/dbraw/zinc/52/92/19/472529219.db2.gz KEUPKFKSOAGQMH-GFCCVEGCSA-N -1 0 328.299 2.891 10 30 EFEERM N#CC(=C([O-])C1=NO[C@H](c2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000058267298 472529907 /nfs/dbraw/zinc/52/99/07/472529907.db2.gz AJNBREJZRUERRR-ZBFHGGJFSA-N -1 0 349.394 2.698 10 30 EFEERM C=CCNC(=O)c1c(C)[n-]n(Cc2c(Cl)cccc2Cl)c1=O ZINC000155567650 472570962 /nfs/dbraw/zinc/57/09/62/472570962.db2.gz NVCQHSVJWLQUOV-CYBMUJFWSA-N -1 0 340.210 2.630 10 30 EFEERM N#Cc1cccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2CCc2ccccc2)c1 ZINC000071857668 472587994 /nfs/dbraw/zinc/58/79/94/472587994.db2.gz SWNQTUFTCZPYIB-PKOBYXMFSA-N -1 0 334.375 2.775 10 30 EFEERM CCC=C(C)C(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000078556562 472733492 /nfs/dbraw/zinc/73/34/92/472733492.db2.gz FKWGJYUZNVYOHI-YWEYNIOJSA-N -1 0 333.207 2.846 10 30 EFEERM CC(C)(C#N)NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000120882388 472762183 /nfs/dbraw/zinc/76/21/83/472762183.db2.gz QRCLKVQITKGWTR-UHFFFAOYSA-N -1 0 326.727 2.939 10 30 EFEERM Cc1c(C(=O)[N-]S(C)(=O)=O)sc2nc(C(C)(C)C)nc(C)c12 ZINC000048480652 472881658 /nfs/dbraw/zinc/88/16/58/472881658.db2.gz WUXKNSUUXASNLP-UHFFFAOYSA-N -1 0 341.458 2.870 10 30 EFEERM CSc1[n-]c(=O)c(C(=O)N2CCC(C(F)(F)F)CC2)cc1C#N ZINC000075212666 473151270 /nfs/dbraw/zinc/15/12/70/473151270.db2.gz DWQKQPMNLDVQTF-UHFFFAOYSA-N -1 0 345.346 2.795 10 30 EFEERM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C)n1 ZINC000160670102 473158452 /nfs/dbraw/zinc/15/84/52/473158452.db2.gz ZHQFOMMZBPWKIN-UHFFFAOYSA-N -1 0 337.788 2.725 10 30 EFEERM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cccc(C)c3C#N)ccc12 ZINC000093909141 473161506 /nfs/dbraw/zinc/16/15/06/473161506.db2.gz HAFFFWMDRKNGGU-UHFFFAOYSA-N -1 0 326.381 2.852 10 30 EFEERM O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)CCc1ccccc1 ZINC000095393158 473195924 /nfs/dbraw/zinc/19/59/24/473195924.db2.gz LPSHNVAMDCCEIM-UHFFFAOYSA-N -1 0 343.408 2.565 10 30 EFEERM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1nccs1 ZINC000125601088 473432795 /nfs/dbraw/zinc/43/27/95/473432795.db2.gz FGNPKOWBKSXEAV-LLVKDONJSA-N -1 0 343.380 2.723 10 30 EFEERM CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1F ZINC000151455783 473459828 /nfs/dbraw/zinc/45/98/28/473459828.db2.gz ZGWXZPWQQGGHGQ-UHFFFAOYSA-N -1 0 349.343 2.969 10 30 EFEERM CC(C)Cn1cc(C([O-])=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cn1 ZINC000170593738 473559051 /nfs/dbraw/zinc/55/90/51/473559051.db2.gz VEVXYXNUAQHHAA-VNQPRFMTSA-N -1 0 330.432 2.556 10 30 EFEERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179026454 473613938 /nfs/dbraw/zinc/61/39/38/473613938.db2.gz GAEBSKHFRQEHCX-UHFFFAOYSA-N -1 0 347.352 2.584 10 30 EFEERM 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N#Cc1ccnc(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)c1 ZINC000588327559 479416637 /nfs/dbraw/zinc/41/66/37/479416637.db2.gz CNVPJFBYDNPTQX-UHFFFAOYSA-N -1 0 341.783 2.799 10 30 EFEERM N#CC1(CNC(=O)c2nn(-c3ccccc3F)cc2[O-])CCCC1 ZINC000593774651 479454810 /nfs/dbraw/zinc/45/48/10/479454810.db2.gz DJFFKOBIKNWXHP-UHFFFAOYSA-N -1 0 328.347 2.531 10 30 EFEERM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCC2(C#N)CCCC2)n1 ZINC000593775592 479456357 /nfs/dbraw/zinc/45/63/57/479456357.db2.gz PHQVFWBBPAGBEX-UHFFFAOYSA-N -1 0 342.374 2.839 10 30 EFEERM Cn1cc(C#N)c(=NC(=O)NC2CC(F)(c3cccc(Cl)c3)C2)[n-]1 ZINC000619536910 479822366 /nfs/dbraw/zinc/82/23/66/479822366.db2.gz FIOOLDLSLBPPGL-UHFFFAOYSA-N -1 0 347.781 2.516 10 30 EFEERM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N=c2[n-]n(C)cc2C#N)o1 ZINC000614182443 480217751 /nfs/dbraw/zinc/21/77/51/480217751.db2.gz RRCGNTCLJIAIGM-RISCZKNCSA-N -1 0 327.388 2.620 10 30 EFEERM C=CCN(C(=O)c1cc(Br)c(F)cc1[O-])[C@H](C)COC ZINC000617583967 480289223 /nfs/dbraw/zinc/28/92/23/480289223.db2.gz 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C=CC[C@H]1CCN(C(=O)c2ccc(OCC(=O)[O-])c(OCC)c2)C1 ZINC000630230651 480621336 /nfs/dbraw/zinc/62/13/36/480621336.db2.gz ODIGVBMTUXIUOD-ZDUSSCGKSA-N -1 0 333.384 2.587 10 30 EFEERM C=C(C)COCCNC(=O)[C@@H](CC(=O)[O-])c1c(F)cccc1Cl ZINC000634909416 480625302 /nfs/dbraw/zinc/62/53/02/480625302.db2.gz FOKBUTMUTDFODB-NSHDSACASA-N -1 0 343.782 2.746 10 30 EFEERM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CN(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000634931355 480643635 /nfs/dbraw/zinc/64/36/35/480643635.db2.gz AVZYNVDWQHCOLG-IYBDPMFKSA-N -1 0 348.830 2.941 10 30 EFEERM C=CC[C@H]1CCN(C(=O)CN(CC(=O)[O-])c2ccc(Cl)cc2)C1 ZINC000634939040 480650741 /nfs/dbraw/zinc/65/07/41/480650741.db2.gz ZGEYEFPBQLQRCW-ZDUSSCGKSA-N -1 0 336.819 2.656 10 30 EFEERM C=C(C)C[C@@H](NC(=O)c1cccc(Br)c1C)C(=O)[O-] ZINC000630319150 480668705 /nfs/dbraw/zinc/66/87/05/480668705.db2.gz TWDFWTUBZJNMLI-GFCCVEGCSA-N -1 0 326.190 2.907 10 30 EFEERM C=C(C)C[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)[O-] ZINC000630318165 480668712 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2.936 10 30 EFEERM C=CC[C@H](C)NS(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC000914124801 726062451 /nfs/dbraw/zinc/06/24/51/726062451.db2.gz QHKUEWOXDDUCEH-QMMMGPOBSA-N -1 0 325.308 2.534 10 30 EFEERM CC(C)(C)SCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000730404788 726123964 /nfs/dbraw/zinc/12/39/64/726123964.db2.gz ABEOHTXBADGUDC-UHFFFAOYSA-N -1 0 346.861 2.548 10 30 EFEERM C=CCC[C@@H](NC(=O)NCc1cccc(Cl)c1OC)C(=O)[O-] ZINC000929020893 726270642 /nfs/dbraw/zinc/27/06/42/726270642.db2.gz BJSAPRIZIMXMOM-GFCCVEGCSA-N -1 0 326.780 2.567 10 30 EFEERM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000907049471 726854239 /nfs/dbraw/zinc/85/42/39/726854239.db2.gz RNKKVBNTYPDGDQ-TXEJJXNPSA-N -1 0 339.388 2.704 10 30 EFEERM C=CCCCNS(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC000915072841 726859312 /nfs/dbraw/zinc/85/93/12/726859312.db2.gz HDZWZSBVCFHRSJ-UHFFFAOYSA-N -1 0 325.308 2.535 10 30 EFEERM N#C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1ccc(F)cc1 ZINC000731604231 726904295 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C#CC[C@H](NC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(=O)[O-] ZINC000908632193 727228973 /nfs/dbraw/zinc/22/89/73/727228973.db2.gz OGYZVQXLECICFX-WDEREUQCSA-N -1 0 332.253 2.858 10 30 EFEERM C=CCn1ncc2ccc(NC(=O)N3CCCC[C@H]3C(=O)[O-])cc21 ZINC000908633115 727229242 /nfs/dbraw/zinc/22/92/42/727229242.db2.gz ODIWOPVZDYTWJC-AWEZNQCLSA-N -1 0 328.372 2.693 10 30 EFEERM C=CCCC[C@H](NC(=O)Nc1ncc(Br)s1)C(=O)[O-] ZINC000908646654 727233961 /nfs/dbraw/zinc/23/39/61/727233961.db2.gz NYUXBEYNCGNFOS-ZETCQYMHSA-N -1 0 348.222 2.837 10 30 EFEERM C=CCCC[C@@H](NC(=O)Nc1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000908655392 727236390 /nfs/dbraw/zinc/23/63/90/727236390.db2.gz NWXAIAIKLHNMGJ-MRXNPFEDSA-N -1 0 342.399 2.862 10 30 EFEERM C=CCCC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000908847830 727274911 /nfs/dbraw/zinc/27/49/11/727274911.db2.gz VOPMUUCGYRBZAZ-QGZVFWFLSA-N -1 0 345.443 2.896 10 30 EFEERM C=CCCC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000908847828 727274938 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EFEERM C=CCCC[C@H](NC(=O)NC[C@@H]1CC12CCSCC2)C(=O)[O-] ZINC000909108933 727330027 /nfs/dbraw/zinc/33/00/27/727330027.db2.gz KOZGHZHUDWFBHB-STQMWFEESA-N -1 0 326.462 2.628 10 30 EFEERM C=CCC[C@@H](NC(=O)c1cccc(COC2CCOCC2)c1)C(=O)[O-] ZINC000909713563 727366395 /nfs/dbraw/zinc/36/63/95/727366395.db2.gz FWHJSWGKVJHVOF-QGZVFWFLSA-N -1 0 347.411 2.531 10 30 EFEERM C=CCC[C@@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)[O-] ZINC000909715262 727366576 /nfs/dbraw/zinc/36/65/76/727366576.db2.gz KRZKQMGFFJLORK-SECBINFHSA-N -1 0 341.289 2.502 10 30 EFEERM C=CCC[C@@H](NC(=O)[C@H](OC)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000909717387 727368126 /nfs/dbraw/zinc/36/81/26/727368126.db2.gz ZHDOFFTUSZTHFB-CHWSQXEVSA-N -1 0 345.317 2.929 10 30 EFEERM C#Cc1cncc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c1 ZINC000909789984 727378516 /nfs/dbraw/zinc/37/85/16/727378516.db2.gz NUHSJPOJQDDQNV-QFBILLFUSA-N -1 0 348.402 2.756 10 30 EFEERM C#Cc1cncc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000910086747 727410921 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EFEERM C=C(Cl)C[C@H](NC(=O)Cc1c(C)cc(N(C)C)cc1C)C(=O)[O-] ZINC000910272073 727425858 /nfs/dbraw/zinc/42/58/58/727425858.db2.gz SEAYRZKNNCWOLG-HNNXBMFYSA-N -1 0 338.835 2.624 10 30 EFEERM C=C(C)C[C@@H](NC(=O)c1cccc(OCCCOC)c1C)C(=O)[O-] ZINC000910292427 727430685 /nfs/dbraw/zinc/43/06/85/727430685.db2.gz GEAXPYZWPGCFPP-OAHLLOKOSA-N -1 0 335.400 2.560 10 30 EFEERM C=C(C)C[C@@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)[O-] ZINC000910294117 727430876 /nfs/dbraw/zinc/43/08/76/727430876.db2.gz OBMWZQWVUZJYPA-SECBINFHSA-N -1 0 341.289 2.502 10 30 EFEERM C=CCCC[C@H](NC(=O)C(C)(C)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000910912418 727471556 /nfs/dbraw/zinc/47/15/56/727471556.db2.gz LWAAFWPNRMDKGH-AWEZNQCLSA-N -1 0 349.427 2.907 10 30 EFEERM C=CCCC[C@H](NC(=O)Cc1ccccc1OC(F)F)C(=O)[O-] ZINC000910913706 727471665 /nfs/dbraw/zinc/47/16/65/727471665.db2.gz AYOZAHLEPMXRHW-LBPRGKRZSA-N -1 0 327.327 2.756 10 30 EFEERM C=CCCC[C@@H](NC(=O)C(C)(C)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000910914517 727471774 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C=CCCC[C@@H](NC(=O)C(F)(F)c1ccccc1OC)C(=O)[O-] ZINC000910922624 727472205 /nfs/dbraw/zinc/47/22/05/727472205.db2.gz LKTVYDHIVLRJSZ-GFCCVEGCSA-N -1 0 327.327 2.713 10 30 EFEERM C=CCCC[C@H](NC(=O)c1cn(C)nc1-c1cccs1)C(=O)[O-] ZINC000910925725 727472474 /nfs/dbraw/zinc/47/24/74/727472474.db2.gz OAUBNNDIYRCYDA-LBPRGKRZSA-N -1 0 333.413 2.688 10 30 EFEERM O=C([O-])CCOc1ccc(C=Nn2cnnc2-c2ccccc2)cc1 ZINC000915956961 727642521 /nfs/dbraw/zinc/64/25/21/727642521.db2.gz JYMLBYUVRZWHAR-UHFFFAOYSA-N -1 0 336.351 2.681 10 30 EFEERM O=C([O-])C(=O)/C(=C/c1ccc([N+](=O)[O-])o1)c1ccc2ccccc2n1 ZINC000032699245 727654310 /nfs/dbraw/zinc/65/43/10/727654310.db2.gz RWQUDFPCMNQLPE-FMIVXFBMSA-N -1 0 338.275 2.930 10 30 EFEERM C=CCCO[C@H](C)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912867846 727755073 /nfs/dbraw/zinc/75/50/73/727755073.db2.gz MIPACBUGKBJERL-GFCCVEGCSA-N -1 0 342.399 2.504 10 30 EFEERM C=CCCO[C@@H](C)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912867847 727755140 /nfs/dbraw/zinc/75/51/40/727755140.db2.gz MIPACBUGKBJERL-LBPRGKRZSA-N -1 0 342.399 2.504 10 30 EFEERM N#Cc1cccc(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)c1 ZINC000057690366 728102311 /nfs/dbraw/zinc/10/23/11/728102311.db2.gz AXGCZNLWPFXYGT-UHFFFAOYSA-N -1 0 342.405 2.878 10 30 EFEERM C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000172085481 728567503 /nfs/dbraw/zinc/56/75/03/728567503.db2.gz OBLPPPPUAWPWRT-CYBMUJFWSA-N -1 0 334.441 2.721 10 30 EFEERM COCCCNC(=O)C(C#N)=C([O-])c1sc(C2CCCC2)nc1C ZINC000173939426 728643640 /nfs/dbraw/zinc/64/36/40/728643640.db2.gz PQFARXXUZJOHHU-CYBMUJFWSA-N -1 0 349.456 2.584 10 30 EFEERM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cc2csc(C)n2)cc1 ZINC000069533654 728959634 /nfs/dbraw/zinc/95/96/34/728959634.db2.gz CVOLSJBCQHVPNI-UHFFFAOYSA-N -1 0 338.410 2.542 10 30 EFEERM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2occc2Br)CC1 ZINC000919288307 728998802 /nfs/dbraw/zinc/99/88/02/728998802.db2.gz QCFGVMGUWYRACZ-MGCOHNPYSA-N -1 0 332.219 2.512 10 30 EFEERM C#CCOc1ccc(C(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000237539552 729201560 /nfs/dbraw/zinc/20/15/60/729201560.db2.gz PWQWWXFDFBKWOA-LLVKDONJSA-N -1 0 344.392 2.653 10 30 EFEERM CO[C@H](C)c1nc(C)c(C([O-])=C(C#N)C(=O)NC2CCCCC2)s1 ZINC000175104048 729478137 /nfs/dbraw/zinc/47/81/37/729478137.db2.gz ILZCKGQGFPRLMK-YPMHNXCESA-N -1 0 349.456 2.930 10 30 EFEERM C=CC(C)(C)CCCNC(=O)N[C@@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C ZINC000871646354 939260995 /nfs/dbraw/zinc/26/09/95/939260995.db2.gz JYULCURVMQOVRR-FZKQIMNGSA-N -1 0 340.464 2.936 10 30 EFEERM C#C[C@@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])c1ccccc1 ZINC001570677818 1086456287 /nfs/dbraw/zinc/45/62/87/1086456287.db2.gz OXVABACWOXAUPW-MRXNPFEDSA-N -1 0 335.338 2.821 10 30 EFEERM C=CC[S@@](=O)(=NC(=O)c1[n-]c(=O)c(C#N)cc1C)c1ccccc1 ZINC001646625332 1087945007 /nfs/dbraw/zinc/94/50/07/1087945007.db2.gz OFBWTIRJACQXJO-DEOSSOPVSA-N -1 0 341.392 2.821 10 30 EFEERM N#CC(=C([O-])c1ccc(N2CCCC2)nc1)c1ncc(F)cc1F ZINC001646920065 1088568794 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C=C(C)C[C@@H](NC(=O)NCc1cccc(Br)c1)C(=O)[O-] ZINC000630472354 480732874 /nfs/dbraw/zinc/73/28/74/480732874.db2.gz LVFYFBWYZNJLTJ-GFCCVEGCSA-N -1 0 341.205 2.668 10 30 EFEERM C=C(C)C[C@H](NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1)C(=O)[O-] ZINC000630473642 480733333 /nfs/dbraw/zinc/73/33/33/480733333.db2.gz UZJHAGYEDVZTOV-IKGGRYGDSA-N -1 0 346.427 2.873 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NCc1ccccc1OC1CCC1)C(=O)[O-] ZINC000630474999 480733394 /nfs/dbraw/zinc/73/33/94/480733394.db2.gz AXFBQBVBSBPCGY-OAHLLOKOSA-N -1 0 332.400 2.837 10 30 EFEERM C=C(C)C[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)[O-] ZINC000630474118 480733404 /nfs/dbraw/zinc/73/34/04/480733404.db2.gz SKIBSASBYCYKSM-GFCCVEGCSA-N -1 0 341.205 2.668 10 30 EFEERM C=C(C)C[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)[O-] ZINC000630473644 480733500 /nfs/dbraw/zinc/73/35/00/480733500.db2.gz UZJHAGYEDVZTOV-ULQDDVLXSA-N -1 0 346.427 2.873 10 30 EFEERM C=C(C)C[C@H](NC(=O)N[C@@H]1CCCOc2ccc(F)cc21)C(=O)[O-] ZINC000630474727 480733508 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EFEERM C=CCCC[C@@H](NC(=O)c1cnn(C)c1-c1ccccc1)C(=O)[O-] ZINC000910913424 727471583 /nfs/dbraw/zinc/47/15/83/727471583.db2.gz WHCZICHJGSQTMJ-OAHLLOKOSA-N -1 0 327.384 2.626 10 30 EFEERM C=CCCC[C@H](NC(=O)Cc1coc(-c2cccs2)n1)C(=O)[O-] ZINC000910913763 727471653 /nfs/dbraw/zinc/47/16/53/727471653.db2.gz BWZLLQZNZIQDDP-LBPRGKRZSA-N -1 0 334.397 2.871 10 30 EFEERM C=CCCC[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)C(=O)[O-] ZINC000910914442 727471749 /nfs/dbraw/zinc/47/17/49/727471749.db2.gz HIKKITKQNYVNEU-CQSZACIVSA-N -1 0 330.388 2.552 10 30 EFEERM C=CCCC[C@@H](NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)C(=O)[O-] ZINC000910914828 727471796 /nfs/dbraw/zinc/47/17/96/727471796.db2.gz LCBNZQKLIJIAGX-IAGOWNOFSA-N -1 0 348.418 2.716 10 30 EFEERM C=CCCC[C@H](NC(=O)C1(Cc2ccccc2)CCOCC1)C(=O)[O-] ZINC000910916046 727471939 /nfs/dbraw/zinc/47/19/39/727471939.db2.gz CZEOOICKUJHBQN-KRWDZBQOSA-N -1 0 345.439 2.952 10 30 EFEERM C=CCCC[C@@H](NC(=O)Cc1coc2cc(OC)ccc12)C(=O)[O-] ZINC000910915667 727471966 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C=CCCC[C@@H](NC(=O)c1ccc(-n2nccc2C)cc1)C(=O)[O-] ZINC000910919561 727472165 /nfs/dbraw/zinc/47/21/65/727472165.db2.gz XSJVHMGSAZZMKR-MRXNPFEDSA-N -1 0 327.384 2.720 10 30 EFEERM C=CCCC[C@H](NC(=O)c1ncccc1OCC(F)(F)F)C(=O)[O-] ZINC000910924376 727472328 /nfs/dbraw/zinc/47/23/28/727472328.db2.gz ASZJLSYXLWLQON-JTQLQIEISA-N -1 0 346.305 2.562 10 30 EFEERM O=[N+]([O-])c1cc(C=NNC(=S)Nc2ccc(F)cc2)ccc1[O-] ZINC000915926465 727640788 /nfs/dbraw/zinc/64/07/88/727640788.db2.gz CBILYTQPGBBIRO-UHFFFAOYSA-N -1 0 334.332 2.760 10 30 EFEERM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1c(F)c(F)nc(F)c1F)O2 ZINC000915948507 727641979 /nfs/dbraw/zinc/64/19/79/727641979.db2.gz OIASTJWBTJDUQY-UHFFFAOYSA-N -1 0 341.220 2.653 10 30 EFEERM Cc1cc([O-])cc2c1C(=O)C(=NNC(=S)Nc1ccc(F)cc1)O2 ZINC000915942565 727643404 /nfs/dbraw/zinc/64/34/04/727643404.db2.gz FUMHZJWBCPIPIV-UHFFFAOYSA-N -1 0 345.355 2.715 10 30 EFEERM C#C[C@H]1CCCN(C(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC000912046476 727645775 /nfs/dbraw/zinc/64/57/75/727645775.db2.gz GVKMTGTXKMMGCQ-NSHDSACASA-N -1 0 335.429 2.976 10 30 EFEERM Cc1cc(C=Nn2c([S-])nnc(C)c2=O)c(C)n1-c1ccccc1 ZINC000916303191 727675135 /nfs/dbraw/zinc/67/51/35/727675135.db2.gz CXPOZEKFHQNWKK-UHFFFAOYSA-N -1 0 339.424 2.525 10 30 EFEERM N#Cc1ccc(C2CCN(C(=O)c3cc(F)c([O-])c(F)c3)CC2)nc1 ZINC000912931318 727760286 /nfs/dbraw/zinc/76/02/86/727760286.db2.gz KVNRQQCWZPQYFN-UHFFFAOYSA-N -1 0 343.333 2.957 10 30 EFEERM Cc1cc(C#N)ccc1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000129900440 728390030 /nfs/dbraw/zinc/39/00/30/728390030.db2.gz KBRAZQDARYWQOZ-ZDUSSCGKSA-N -1 0 328.393 2.688 10 30 EFEERM C=CCn1c(=O)c2ccc(C(=O)NC[C@H](C)C(C)C)cc2[n-]c1=S ZINC000172579194 728598617 /nfs/dbraw/zinc/59/86/17/728598617.db2.gz OATDTTIRCYKGBB-LBPRGKRZSA-N -1 0 345.468 2.893 10 30 EFEERM Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3[nH]c2=O)c1 ZINC000069570137 729003449 /nfs/dbraw/zinc/00/34/49/729003449.db2.gz LAYYDVDCTNFVAT-UHFFFAOYSA-N -1 0 342.376 2.530 10 30 EFEERM Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccn(-c3ccccc3)n2)c1 ZINC000069570582 729003797 /nfs/dbraw/zinc/00/37/97/729003797.db2.gz ZVFSPTXWIFUYAA-UHFFFAOYSA-N -1 0 341.392 2.874 10 30 EFEERM CO[C@@H](C)c1nc(C)c(C([O-])=C(C#N)C(=O)NC2CCCC2)s1 ZINC000175119060 729477751 /nfs/dbraw/zinc/47/77/51/729477751.db2.gz LLASBWJCBGZOCO-CMPLNLGQSA-N -1 0 335.429 2.540 10 30 EFEERM CO[C@H](C)c1nc(C)c(C([O-])=C(C#N)C(=O)NC2CCCCC2)s1 ZINC000175104010 729477956 /nfs/dbraw/zinc/47/79/56/729477956.db2.gz ILZCKGQGFPRLMK-DGCLKSJQSA-N -1 0 349.456 2.930 10 30 EFEERM CN1C(=O)CC[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])[C@H]1c1ccccc1 ZINC000179741176 729619468 /nfs/dbraw/zinc/61/94/68/729619468.db2.gz PEAFOAIKMVRILW-DNVCBOLYSA-N -1 0 349.390 2.812 10 30 EFEERM CN1C(=O)CC[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])[C@@H]1c1ccccc1 ZINC000179741188 729619470 /nfs/dbraw/zinc/61/94/70/729619470.db2.gz PEAFOAIKMVRILW-BEFAXECRSA-N -1 0 349.390 2.812 10 30 EFEERM