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/nfs/dbraw/zinc/09/49/53/579094953.db2.gz SSOGTTNFAAFEPJ-UHFFFAOYSA-N -1 0 330.327 1.814 20 30 EDEDRM COc1cc(Br)ccc1C(=O)N(CC#N)CC(=O)[O-] ZINC000737845796 579133422 /nfs/dbraw/zinc/13/34/22/579133422.db2.gz ORFSBQZPJZFDCZ-UHFFFAOYSA-N -1 0 327.134 1.508 20 30 EDEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1c(C)onc1N)c1ccccc1 ZINC000788089282 579159142 /nfs/dbraw/zinc/15/91/42/579159142.db2.gz AOIXFOJGKJUZIA-LLVKDONJSA-N -1 0 335.385 1.730 20 30 EDEDRM CSc1nc(C2CC2)cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C#N ZINC000738150983 579164792 /nfs/dbraw/zinc/16/47/92/579164792.db2.gz PECIQIPMNDHEEF-CYBMUJFWSA-N -1 0 347.396 1.478 20 30 EDEDRM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C1CCN(C)C1=O ZINC000761776505 580061804 /nfs/dbraw/zinc/06/18/04/580061804.db2.gz ANXQEKGYXCPPOI-UHFFFAOYSA-N -1 0 349.372 1.089 20 30 EDEDRM COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000739915804 579267587 /nfs/dbraw/zinc/26/75/87/579267587.db2.gz JCZBPEKGWCKENH-GXFFZTMASA-N -1 0 331.328 1.342 20 30 EDEDRM COc1cccc([C@@H](C#N)NC(=O)[C@@H]2CCN(C(=O)[O-])C2)c1OC ZINC000739946059 579272163 /nfs/dbraw/zinc/27/21/63/579272163.db2.gz QUUPBQSFHVWSSW-ZYHUDNBSSA-N -1 0 333.344 1.385 20 30 EDEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC(=O)[O-])cc1C ZINC000740098253 579289697 /nfs/dbraw/zinc/28/96/97/579289697.db2.gz MDLFTCKGDNLLLW-UHFFFAOYSA-N -1 0 326.356 1.895 20 30 EDEDRM COCCCn1c(=O)c2ccc(C(=O)N[C@@H](C)C#N)cc2[n-]c1=S ZINC000745382765 579548379 /nfs/dbraw/zinc/54/83/79/579548379.db2.gz RYNCFNGBQVKNLS-JTQLQIEISA-N -1 0 346.412 1.364 20 30 EDEDRM Cc1cc(NC(=O)C(=O)[N-]OCc2ccccc2)n(CCC#N)n1 ZINC000746364390 579589600 /nfs/dbraw/zinc/58/96/00/579589600.db2.gz PFEBMKGGNCSGEI-UHFFFAOYSA-N -1 0 327.344 1.292 20 30 EDEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)[N-]S(=O)(=O)CCCF ZINC000747132390 579630029 /nfs/dbraw/zinc/63/00/29/579630029.db2.gz HCNHNASZBUAVKK-UHFFFAOYSA-N -1 0 343.380 1.014 20 30 EDEDRM COc1ccc(C#N)cc1NC(=O)C(=O)[N-]OCc1cccnc1 ZINC000747548709 579648371 /nfs/dbraw/zinc/64/83/71/579648371.db2.gz FBSSAFIXEBZSRM-UHFFFAOYSA-N -1 0 326.312 1.148 20 30 EDEDRM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)cc1 ZINC000777669191 580448086 /nfs/dbraw/zinc/44/80/86/580448086.db2.gz INXREKSSYRRAPB-UHFFFAOYSA-N -1 0 338.370 1.994 20 30 EDEDRM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC#N)c2)c1 ZINC000749158737 579714597 /nfs/dbraw/zinc/71/45/97/579714597.db2.gz YTFVFZMESDKDMQ-UHFFFAOYSA-N -1 0 334.357 1.384 20 30 EDEDRM CC[C@](C)(CC(=O)OC)NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000777866715 580452273 /nfs/dbraw/zinc/45/22/73/580452273.db2.gz OSPKNXARWCHDHY-OAHLLOKOSA-N -1 0 337.401 1.842 20 30 EDEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cnn(CC#N)c2)n1 ZINC000751366426 579803107 /nfs/dbraw/zinc/80/31/07/579803107.db2.gz ZTXLSPDYSYHIPH-UHFFFAOYSA-N -1 0 340.318 1.998 20 30 EDEDRM COC(=O)c1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c[nH]1 ZINC000753163254 579873869 /nfs/dbraw/zinc/87/38/69/579873869.db2.gz OIYAUDBJVKIWMC-UHFFFAOYSA-N -1 0 328.353 1.682 20 30 EDEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccc2)nc1 ZINC000753392774 579878794 /nfs/dbraw/zinc/87/87/94/579878794.db2.gz DMAJKIHTRPDBGE-OAHLLOKOSA-N -1 0 340.383 1.738 20 30 EDEDRM Cc1ncc(S(=O)(=O)[N-]C(=O)COc2ccccc2C#N)s1 ZINC000755878055 579937123 /nfs/dbraw/zinc/93/71/23/579937123.db2.gz TVKBUYCJILLGDS-UHFFFAOYSA-N -1 0 337.382 1.207 20 30 EDEDRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)COC1 ZINC000756273779 579947134 /nfs/dbraw/zinc/94/71/34/579947134.db2.gz AONBQYSKCBJEET-UHFFFAOYSA-N -1 0 328.777 1.443 20 30 EDEDRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000758523310 579984917 /nfs/dbraw/zinc/98/49/17/579984917.db2.gz MEQNMWBLJKGGHR-QMMMGPOBSA-N -1 0 344.776 1.216 20 30 EDEDRM C=CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccccc2OCC)C1 ZINC000762047619 580065970 /nfs/dbraw/zinc/06/59/70/580065970.db2.gz MCKLQUXAOCFOTB-ZDUSSCGKSA-N -1 0 346.383 1.537 20 30 EDEDRM Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000763466811 580100495 /nfs/dbraw/zinc/10/04/95/580100495.db2.gz AJAOOKNACFRPIX-SNVBAGLBSA-N -1 0 328.294 1.699 20 30 EDEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCc3n[nH]cc3C2)cc1 ZINC000763925934 580108555 /nfs/dbraw/zinc/10/85/55/580108555.db2.gz TWKGBIGXVWCPLB-ZDUSSCGKSA-N -1 0 344.396 1.032 20 30 EDEDRM C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)CCCCOC ZINC000766965875 580178411 /nfs/dbraw/zinc/17/84/11/580178411.db2.gz DLVRBSXIPSFBAO-UHFFFAOYSA-N -1 0 328.390 1.133 20 30 EDEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](O)c2ccccc2)n1 ZINC000768638452 580217990 /nfs/dbraw/zinc/21/79/90/580217990.db2.gz AVDIZHDMSQWYTH-OCCSQVGLSA-N -1 0 330.365 1.905 20 30 EDEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc2nnc(C(C)(C)C)n2c1 ZINC000769280624 580232693 /nfs/dbraw/zinc/23/26/93/580232693.db2.gz BCVANSSGQLRQPU-GFCCVEGCSA-N -1 0 343.387 1.112 20 30 EDEDRM COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)ccc1[N+](=O)[O-] ZINC000770569632 580264824 /nfs/dbraw/zinc/26/48/24/580264824.db2.gz RQJLCLRTPWCUTO-ZDTYVGOBSA-N -1 0 331.280 1.832 20 30 EDEDRM C[S@@](=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000770844222 580273301 /nfs/dbraw/zinc/27/33/01/580273301.db2.gz VPUPFKUBMZUNTO-JOCHJYFZSA-N -1 0 348.405 1.414 20 30 EDEDRM COC(=O)COc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000770871240 580274133 /nfs/dbraw/zinc/27/41/33/580274133.db2.gz JCFHAOGZAHPRBI-ZDUSSCGKSA-N -1 0 341.323 1.177 20 30 EDEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1ccn(-c2ccccc2)n1 ZINC000770876523 580274300 /nfs/dbraw/zinc/27/43/00/580274300.db2.gz MZWYEMDFCZHUBG-OAHLLOKOSA-N -1 0 333.351 1.740 20 30 EDEDRM COCc1nc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cs1 ZINC000771076146 580279227 /nfs/dbraw/zinc/27/92/27/580279227.db2.gz FMNVIBKDBBDDJS-UHFFFAOYSA-N -1 0 329.403 1.043 20 30 EDEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCSc2ccccn2)CCC1 ZINC000771080626 580279442 /nfs/dbraw/zinc/27/94/42/580279442.db2.gz ZSZSVNFOMLXLPP-UHFFFAOYSA-N -1 0 339.442 1.704 20 30 EDEDRM C=CCS(=O)(=O)[N-]C(=O)C[C@H](c1ccccc1)N1CCOC1=O ZINC000772720434 580318836 /nfs/dbraw/zinc/31/88/36/580318836.db2.gz MJZCCZPEFNLERW-CYBMUJFWSA-N -1 0 338.385 1.202 20 30 EDEDRM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1nccs1 ZINC000774052313 580352530 /nfs/dbraw/zinc/35/25/30/580352530.db2.gz FGTCWIBSEDICGI-SNVBAGLBSA-N -1 0 329.337 1.875 20 30 EDEDRM C#C[C@H](NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)[C@H]1CCCO1 ZINC000775338344 580388639 /nfs/dbraw/zinc/38/86/39/580388639.db2.gz GGRKEAQKARYGAB-GXTWGEPZSA-N -1 0 340.376 1.108 20 30 EDEDRM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1 ZINC000776115715 580408249 /nfs/dbraw/zinc/40/82/49/580408249.db2.gz SBCPFDUSGWSMHT-CHWSQXEVSA-N -1 0 343.449 1.021 20 30 EDEDRM COc1cc(OC)c(C(=O)[N-]S(=O)(=O)CCCC#N)cc1OC ZINC000776122133 580408661 /nfs/dbraw/zinc/40/86/61/580408661.db2.gz MKQUZBFHJOIIHB-UHFFFAOYSA-N -1 0 342.373 1.076 20 30 EDEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccccc1-n1cccn1 ZINC000776138383 580409131 /nfs/dbraw/zinc/40/91/31/580409131.db2.gz ZJLPIEDMUODBAC-UHFFFAOYSA-N -1 0 332.385 1.482 20 30 EDEDRM C[S@](=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1 ZINC000776139452 580409238 /nfs/dbraw/zinc/40/92/38/580409238.db2.gz XCOXGWVCDAXTSS-FQEVSTJZSA-N -1 0 328.415 1.033 20 30 EDEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(-n2cccn2)cc1 ZINC000776143538 580409498 /nfs/dbraw/zinc/40/94/98/580409498.db2.gz HLWLRRDANGMTGN-UHFFFAOYSA-N -1 0 332.385 1.482 20 30 EDEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)OC)c1)C(=O)[O-] ZINC000776588810 580422794 /nfs/dbraw/zinc/42/27/94/580422794.db2.gz SEJILYFWNCWYBF-GFCCVEGCSA-N -1 0 345.348 1.310 20 30 EDEDRM C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)oc1CC)C(=O)[O-] ZINC000776597428 580423482 /nfs/dbraw/zinc/42/34/82/580423482.db2.gz PUWOTUDJBNNTQD-VIFPVBQESA-N -1 0 345.373 1.326 20 30 EDEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000780305975 580518026 /nfs/dbraw/zinc/51/80/26/580518026.db2.gz PLQHKONNGUGHCM-GUTXKFCHSA-N -1 0 342.399 1.320 20 30 EDEDRM Cc1nc2ccccc2n1CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000780474997 580523962 /nfs/dbraw/zinc/52/39/62/580523962.db2.gz DEZJKJMLPNWFPM-UHFFFAOYSA-N -1 0 334.401 1.341 20 30 EDEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2ccncn2)n1 ZINC000781460954 580550299 /nfs/dbraw/zinc/55/02/99/580550299.db2.gz FKEVEXVPWHURTJ-DLRQAJBASA-N -1 0 328.353 1.999 20 30 EDEDRM COC1CCC(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000781545112 580552255 /nfs/dbraw/zinc/55/22/55/580552255.db2.gz WOBKNBSCOARKEX-UHFFFAOYSA-N -1 0 328.434 1.722 20 30 EDEDRM COc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)n1 ZINC000781595461 580553058 /nfs/dbraw/zinc/55/30/58/580553058.db2.gz FBJPXUCUGCUMKK-UHFFFAOYSA-N -1 0 335.316 1.220 20 30 EDEDRM N#Cc1ccc(OCc2ccc(C(=O)[N-]N3CN=NC3=O)o2)cc1 ZINC000782125751 580566832 /nfs/dbraw/zinc/56/68/32/580566832.db2.gz NONKGSMHAQKWRX-UHFFFAOYSA-N -1 0 325.284 1.411 20 30 EDEDRM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2ccco2)C1 ZINC000782477223 580575601 /nfs/dbraw/zinc/57/56/01/580575601.db2.gz JYUCEEDTJHIBEG-WDEREUQCSA-N -1 0 341.389 1.317 20 30 EDEDRM CC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000783338726 580598375 /nfs/dbraw/zinc/59/83/75/580598375.db2.gz UWACKXGGZAQPNU-UHFFFAOYSA-N -1 0 328.349 1.880 20 30 EDEDRM O=C([O-])Cn1cc(/C=C2\COc3c(cc(F)cc3[N+](=O)[O-])C2=O)nn1 ZINC000783711449 580604541 /nfs/dbraw/zinc/60/45/41/580604541.db2.gz BZKGXPRZBJVNOX-LREOWRDNSA-N -1 0 348.246 1.069 20 30 EDEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)nnn3C)c1 ZINC000786549311 580673388 /nfs/dbraw/zinc/67/33/88/580673388.db2.gz HDHRFBLKDJOVAK-OAHLLOKOSA-N -1 0 347.378 1.916 20 30 EDEDRM Cn1ccc(C([O-])=C(C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000787055963 580686707 /nfs/dbraw/zinc/68/67/07/580686707.db2.gz IDQBRGVAWOKFMW-AWEZNQCLSA-N -1 0 326.312 1.572 20 30 EDEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)nn1C ZINC000787057006 580686745 /nfs/dbraw/zinc/68/67/45/580686745.db2.gz RVIFKPHTCSOFOV-CYBMUJFWSA-N -1 0 341.327 1.276 20 30 EDEDRM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc(C#N)ccn2)c1 ZINC000788846038 580730953 /nfs/dbraw/zinc/73/09/53/580730953.db2.gz PPGFRCKDQQVZQU-UHFFFAOYSA-N -1 0 335.316 1.680 20 30 EDEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)c3cccn32)cc1 ZINC000789388418 580744161 /nfs/dbraw/zinc/74/41/61/580744161.db2.gz NMPBOKUGFOTXHA-AWEZNQCLSA-N -1 0 343.364 1.382 20 30 EDEDRM Cc1nc(CC(C)C)oc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000789411335 580744756 /nfs/dbraw/zinc/74/47/56/580744756.db2.gz PDJKMBNSDGVSPJ-UHFFFAOYSA-N -1 0 327.406 1.791 20 30 EDEDRM COC(=O)c1cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cn1C ZINC000790147751 580763331 /nfs/dbraw/zinc/76/33/31/580763331.db2.gz JUYIHBXWEALZLU-UHFFFAOYSA-N -1 0 333.295 1.593 20 30 EDEDRM CC[C@@H](C)n1ncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c1C ZINC000791882718 580804387 /nfs/dbraw/zinc/80/43/87/580804387.db2.gz SIRKUXWADKNZHM-LLVKDONJSA-N -1 0 338.433 1.916 20 30 EDEDRM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)CCOCC(F)F ZINC000791888172 580804566 /nfs/dbraw/zinc/80/45/66/580804566.db2.gz YABGXOUQSOHOSR-UHFFFAOYSA-N -1 0 336.291 1.174 20 30 EDEDRM CC[C@H](NN=C(C)c1cc(S(N)(=O)=O)c(C)cc1C)C(=O)[O-] ZINC000793079373 580835458 /nfs/dbraw/zinc/83/54/58/580835458.db2.gz 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/nfs/dbraw/zinc/24/91/94/595249194.db2.gz FWJLPZPUPGZAMZ-NEPJUHHUSA-N -1 0 341.385 1.100 20 30 EDEDRM C=C(C)CO[N-]C(=O)CS(=O)(=O)c1ccc(C(C)=O)c(F)c1 ZINC000846539195 595270096 /nfs/dbraw/zinc/27/00/96/595270096.db2.gz RBOGGNLTHKJKKZ-UHFFFAOYSA-N -1 0 329.349 1.426 20 30 EDEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000846542611 595271502 /nfs/dbraw/zinc/27/15/02/595271502.db2.gz ATZAIEMEGMKECH-CMPLNLGQSA-N -1 0 344.458 1.832 20 30 EDEDRM C=C[C@@H](C)O[N-]C(=O)CS(=O)(=O)Nc1ccc(OC(C)C)cc1 ZINC000846551961 595272879 /nfs/dbraw/zinc/27/28/79/595272879.db2.gz YLUKDSSAEZDHEZ-GFCCVEGCSA-N -1 0 342.417 1.838 20 30 EDEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@H]3CCCN(O)C3=O)n2)c1 ZINC000848132345 595324331 /nfs/dbraw/zinc/32/43/31/595324331.db2.gz KCDLZUMEIGWVBU-NSHDSACASA-N -1 0 348.334 1.135 20 30 EDEDRM O=C([O-])C#CC1CCN(S(=O)(=O)c2sccc2Cl)CC1 ZINC000844816867 595398949 /nfs/dbraw/zinc/39/89/49/595398949.db2.gz QHHBZGVSZLUMFM-UHFFFAOYSA-N -1 0 333.818 1.890 20 30 EDEDRM O=C([O-])C#CC1CCN(S(=O)(=O)Cc2cccc(F)c2)CC1 ZINC000844814249 595399062 /nfs/dbraw/zinc/39/90/62/595399062.db2.gz BOUVGXDIEKBFRL-UHFFFAOYSA-N -1 0 325.361 1.456 20 30 EDEDRM O=C([O-])C#CC1CCN(S(=O)(=O)/C=C\c2ccccc2F)CC1 ZINC000844818031 595399505 /nfs/dbraw/zinc/39/95/05/595399505.db2.gz UULLBHAVSJJFRH-XFXZXTDPSA-N -1 0 337.372 1.926 20 30 EDEDRM C#CCN(CC#CC)S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000844886529 595407618 /nfs/dbraw/zinc/40/76/18/595407618.db2.gz RPILMSZBWFBQNC-UHFFFAOYSA-N -1 0 347.436 1.886 20 30 EDEDRM C[C@H](OC(=O)c1ccc(N)c(Cl)c1O)C(=O)N(C)CCC#N ZINC000845194917 595459664 /nfs/dbraw/zinc/45/96/64/595459664.db2.gz USMWFGDTNPWITC-QMMMGPOBSA-N -1 0 325.752 1.545 20 30 EDEDRM CO[C@@H]1CS(=O)(=O)C[C@@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000849169640 595490653 /nfs/dbraw/zinc/49/06/53/595490653.db2.gz FKQJEGLEXMXMHL-ZJIOFLTOSA-N -1 0 348.764 1.185 20 30 EDEDRM C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C[C@H]1CC(=O)[O-] ZINC000849219963 595494496 /nfs/dbraw/zinc/49/44/96/595494496.db2.gz BGYZQXIAKZFBPY-WDEREUQCSA-N -1 0 340.376 1.819 20 30 EDEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccn2)nc1 ZINC000845440842 595497841 /nfs/dbraw/zinc/49/78/41/595497841.db2.gz VPTBDRUSFZLNGD-CQSZACIVSA-N -1 0 338.367 1.619 20 30 EDEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2nnnc2C)cc1 ZINC000845444551 595498608 /nfs/dbraw/zinc/49/86/08/595498608.db2.gz YIVLIZLCAGKGFE-OAHLLOKOSA-N -1 0 340.387 1.600 20 30 EDEDRM C=C(C)CO[N-]C(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O ZINC000855026431 595571040 /nfs/dbraw/zinc/57/10/40/595571040.db2.gz DYGWDBYHZRWWFF-UHFFFAOYSA-N -1 0 333.344 1.188 20 30 EDEDRM C=C[C@H](O)C(=O)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000857746307 595594476 /nfs/dbraw/zinc/59/44/76/595594476.db2.gz FFKNFJBLLNIICM-GJMOJQLCSA-N -1 0 348.243 1.134 20 30 EDEDRM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)C1CC2(CC2(F)F)C1 ZINC000850734906 595617283 /nfs/dbraw/zinc/61/72/83/595617283.db2.gz IWVSZTDABLKMCN-UHFFFAOYSA-N -1 0 340.351 1.940 20 30 EDEDRM CNC(=O)C(C#N)=C([O-])c1nnn(-c2cccc3cnccc32)c1C ZINC000108938309 595676106 /nfs/dbraw/zinc/67/61/06/595676106.db2.gz MSWJSPJIAFSKAB-CYBMUJFWSA-N -1 0 334.339 1.192 20 30 EDEDRM C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000850931045 595678188 /nfs/dbraw/zinc/67/81/88/595678188.db2.gz ISJVSSIHDYWDGU-QMMMGPOBSA-N -1 0 344.776 1.466 20 30 EDEDRM C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000850946671 595683720 /nfs/dbraw/zinc/68/37/20/595683720.db2.gz YFSWHDSCKVPJIY-HNNXBMFYSA-N -1 0 338.429 1.525 20 30 EDEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cnc3n2CCC3)CCCCC1 ZINC000850949426 595684406 /nfs/dbraw/zinc/68/44/06/595684406.db2.gz WWSLEMUNLKDCKF-UHFFFAOYSA-N -1 0 336.417 1.363 20 30 EDEDRM COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cc1OC ZINC000851001543 595699593 /nfs/dbraw/zinc/69/95/93/595699593.db2.gz AMJLOCAIORDLAK-QMMMGPOBSA-N -1 0 346.792 1.712 20 30 EDEDRM C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)CCO1 ZINC000851191714 595748903 /nfs/dbraw/zinc/74/89/03/595748903.db2.gz LTVYELCMSNKMPV-PWSUYJOCSA-N -1 0 340.376 1.458 20 30 EDEDRM C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)CCCOC1 ZINC000851191326 595748972 /nfs/dbraw/zinc/74/89/72/595748972.db2.gz AXLQEAMMKIABSY-OAHLLOKOSA-N -1 0 340.376 1.460 20 30 EDEDRM C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000851328526 595774185 /nfs/dbraw/zinc/77/41/85/595774185.db2.gz KHJWQEJYGVWNBY-CYBMUJFWSA-N -1 0 343.361 1.024 20 30 EDEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109184794 595780181 /nfs/dbraw/zinc/78/01/81/595780181.db2.gz VNDQNFYMGRSVBT-LBPRGKRZSA-N -1 0 342.315 1.023 20 30 EDEDRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)C(C#N)(CC)CC ZINC000860754628 595785237 /nfs/dbraw/zinc/78/52/37/595785237.db2.gz PUCOCXBUGRHYSJ-NSHDSACASA-N -1 0 332.422 1.494 20 30 EDEDRM CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861013776 595865468 /nfs/dbraw/zinc/86/54/68/595865468.db2.gz RWHIYCLXCWJGHQ-DGCLKSJQSA-N -1 0 326.349 1.068 20 30 EDEDRM C#C[C@@](C)(CC)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000854694536 596163941 /nfs/dbraw/zinc/16/39/41/596163941.db2.gz FQQCSQONCYEEFZ-AWEZNQCLSA-N -1 0 330.356 1.161 20 30 EDEDRM C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000859773853 596193912 /nfs/dbraw/zinc/19/39/12/596193912.db2.gz MZXUFQMDFDYKTK-SWLSCSKDSA-N -1 0 344.367 1.206 20 30 EDEDRM CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000864438635 596238004 /nfs/dbraw/zinc/23/80/04/596238004.db2.gz SNPSRVUSGRYLSJ-YPMHNXCESA-N -1 0 326.349 1.714 20 30 EDEDRM C=C(C)CS(=O)(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)[O-] ZINC000864453361 596242003 /nfs/dbraw/zinc/24/20/03/596242003.db2.gz VDHGAGBLDCUADU-LBPRGKRZSA-N -1 0 345.392 1.573 20 30 EDEDRM N#Cc1cc(F)cc(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)c1 ZINC000864455184 596242927 /nfs/dbraw/zinc/24/29/27/596242927.db2.gz ITIWGCSNRWAGQK-UHFFFAOYSA-N -1 0 338.360 1.715 20 30 EDEDRM CCOc1ccc(OCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000123164825 596266786 /nfs/dbraw/zinc/26/67/86/596266786.db2.gz ZXVWMQILZSJDHZ-CQSZACIVSA-N -1 0 327.340 1.789 20 30 EDEDRM C=C[C@@H](C)O[N-]C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000869154256 596427186 /nfs/dbraw/zinc/42/71/86/596427186.db2.gz PPNHQKOQDOETKT-BZNIZROVSA-N -1 0 339.392 1.765 20 30 EDEDRM CC(=NNC1=NCC(=O)N1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000863177198 596513627 /nfs/dbraw/zinc/51/36/27/596513627.db2.gz KUFVTUCKOXFQHV-UHFFFAOYSA-N -1 0 328.328 1.168 20 30 EDEDRM COC(=O)[C@]12C[C@H]1C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)C2 ZINC000867773286 596541930 /nfs/dbraw/zinc/54/19/30/596541930.db2.gz QSWNSAGERGRSDX-ZETOZRRWSA-N -1 0 338.360 1.317 20 30 EDEDRM C=C(Cl)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000863419411 596577725 /nfs/dbraw/zinc/57/77/25/596577725.db2.gz AHZYIFFXKZTAHG-JTQLQIEISA-N -1 0 348.764 1.777 20 30 EDEDRM C=C(Cl)C[C@@H](NS(=O)(=O)c1cccc(OCC)c1)C(=O)[O-] ZINC000863420912 596578302 /nfs/dbraw/zinc/57/83/02/596578302.db2.gz SYLIOSNGYHMBQH-GFCCVEGCSA-N -1 0 333.793 1.959 20 30 EDEDRM C#CC[C@@H](COC)NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000863805407 596691503 /nfs/dbraw/zinc/69/15/03/596691503.db2.gz ZABXLNKFLUYBQV-LBPRGKRZSA-N -1 0 331.347 1.794 20 30 EDEDRM CC1(C#N)CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)CC1 ZINC000871937642 596750350 /nfs/dbraw/zinc/75/03/50/596750350.db2.gz WUAFDWYQMAUCSY-UHFFFAOYSA-N -1 0 344.339 1.977 20 30 EDEDRM C#CCN(C1CC1)S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000871940697 596751893 /nfs/dbraw/zinc/75/18/93/596751893.db2.gz AQJUQITVSAAYOJ-UHFFFAOYSA-N -1 0 331.752 1.964 20 30 EDEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CNC(=O)CC1CCCCC1 ZINC000122940762 596753373 /nfs/dbraw/zinc/75/33/73/596753373.db2.gz ZFCWBRBOGQMSKU-ZDUSSCGKSA-N -1 0 330.388 1.398 20 30 EDEDRM C#C[C@H](NS(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1)[C@H]1CCCO1 ZINC000871943820 596753819 /nfs/dbraw/zinc/75/38/19/596753819.db2.gz STXKWCVWGVRONF-UONOGXRCSA-N -1 0 341.360 1.291 20 30 EDEDRM C=CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@H]1CCS(=O)(=O)C1 ZINC000864106275 596757181 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CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000816008999 593668026 /nfs/dbraw/zinc/66/80/26/593668026.db2.gz LDKLBYOAKSFNHH-OLZOCXBDSA-N -1 0 328.434 1.722 20 30 EDEDRM CN(C)c1cc(C#N)cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c1 ZINC000816025984 593669332 /nfs/dbraw/zinc/66/93/32/593669332.db2.gz HPQDQFGXHFMFGZ-UHFFFAOYSA-N -1 0 346.412 1.378 20 30 EDEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000816033061 593669680 /nfs/dbraw/zinc/66/96/80/593669680.db2.gz ZCNOJKSAFTZPMC-UHFFFAOYSA-N -1 0 329.275 1.165 20 30 EDEDRM Cc1nc(C([O-])=C(C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000816038739 593670174 /nfs/dbraw/zinc/67/01/74/593670174.db2.gz FPFYXRNGXVPWNW-ZDUSSCGKSA-N -1 0 342.311 1.839 20 30 EDEDRM N#Cc1cc(C(=O)[N-]S(=O)(=O)C2CCC2)cnc1C(F)(F)F ZINC000816050700 593670845 /nfs/dbraw/zinc/67/08/45/593670845.db2.gz YECJEPWDEAEAQK-UHFFFAOYSA-N -1 0 333.291 1.584 20 30 EDEDRM C=CCOc1cccnc1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818315214 593691813 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20 30 EDEDRM C[C@@H](COc1ccc(F)cc1F)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820101735 593791204 /nfs/dbraw/zinc/79/12/04/593791204.db2.gz CJSSDERSSANBQJ-VFZGTOFNSA-N -1 0 326.299 1.853 20 30 EDEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000820115645 593792518 /nfs/dbraw/zinc/79/25/18/593792518.db2.gz YMHVDMARVPLGNQ-GTNSWQLSSA-N -1 0 342.355 1.842 20 30 EDEDRM C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)Nc1c(F)cccc1F ZINC000820160786 593796116 /nfs/dbraw/zinc/79/61/16/593796116.db2.gz IPTAGYQBFULNDP-AYVTZFPOSA-N -1 0 340.282 1.840 20 30 EDEDRM C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000820251851 593803156 /nfs/dbraw/zinc/80/31/56/593803156.db2.gz MVZZPFYXEWNQHC-ZDUSSCGKSA-N -1 0 337.383 1.757 20 30 EDEDRM CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000820517484 593825434 /nfs/dbraw/zinc/82/54/34/593825434.db2.gz IVKGGTZZTYFORH-BDJLRTHQSA-N -1 0 339.392 1.459 20 30 EDEDRM C=CCC1(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC)CCOCC1 ZINC000820646006 593852120 /nfs/dbraw/zinc/85/21/20/593852120.db2.gz SJHRNGXUXRDHGP-NWDGAFQWSA-N -1 0 347.433 1.003 20 30 EDEDRM COc1cccc2[nH]cc(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])c21 ZINC000820871037 593911548 /nfs/dbraw/zinc/91/15/48/593911548.db2.gz LTQSVQIBZOWSGJ-QGZVFWFLSA-N -1 0 329.356 1.840 20 30 EDEDRM C[C@H](C#N)CN(C(=O)COc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000824034145 593913511 /nfs/dbraw/zinc/91/35/11/593913511.db2.gz HLCJNNSGVVTEJS-LLVKDONJSA-N -1 0 326.360 1.396 20 30 EDEDRM Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)Cc1ccc2c(c1)COC2 ZINC000821764975 593933774 /nfs/dbraw/zinc/93/37/74/593933774.db2.gz SWMBEQOIWPJGNQ-UHFFFAOYSA-N -1 0 345.380 1.485 20 30 EDEDRM Cc1cc(/C=C\C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)cc(C)c1O ZINC000821011986 593945667 /nfs/dbraw/zinc/94/56/67/593945667.db2.gz AHZOBUUCCFCHKZ-WAYWQWQTSA-N -1 0 330.340 1.008 20 30 EDEDRM N#CCCS(=O)(=O)[N-]C(=O)CCc1cccc(OC(F)F)c1 ZINC000821047396 593952925 /nfs/dbraw/zinc/95/29/25/593952925.db2.gz NWVRTEYDRWMRPB-UHFFFAOYSA-N -1 0 332.328 1.580 20 30 EDEDRM CCCCCCC[C@@H](C)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821050653 593953224 /nfs/dbraw/zinc/95/32/24/593953224.db2.gz SSFJUDACFYJNQZ-GFCCVEGCSA-N -1 0 334.428 1.571 20 30 EDEDRM C=CCO[N-]C(=O)C1([C@H](C)NC(=O)OC(C)(C)C)CCOCC1 ZINC000821900223 593963024 /nfs/dbraw/zinc/96/30/24/593963024.db2.gz GJPJCUZNUDTGQH-LBPRGKRZSA-N -1 0 328.409 1.930 20 30 EDEDRM Cc1ccccc1-c1nc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])no1 ZINC000821120174 593970832 /nfs/dbraw/zinc/97/08/32/593970832.db2.gz PXHRMTPZNRTXSG-MRXNPFEDSA-N -1 0 328.328 1.666 20 30 EDEDRM C=CCC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC)CCOCC1 ZINC000821157064 593978121 /nfs/dbraw/zinc/97/81/21/593978121.db2.gz UPDSTLWQDURVJY-UHFFFAOYSA-N -1 0 347.433 1.005 20 30 EDEDRM N#Cc1ccc(NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)c(F)c1 ZINC000821336218 594021374 /nfs/dbraw/zinc/02/13/74/594021374.db2.gz VQOOLHSKBDBWFI-UHFFFAOYSA-N -1 0 333.319 1.395 20 30 EDEDRM CCN(C(=O)c1cnc(I)c([O-])c1)[C@H](C)C#N ZINC000824688055 594056253 /nfs/dbraw/zinc/05/62/53/594056253.db2.gz RQQBKAOKBXDPGT-SSDOTTSWSA-N -1 0 345.140 1.766 20 30 EDEDRM C[C@@H](CC(=O)OCCn1ncc(C#N)c1N)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824736147 594065889 /nfs/dbraw/zinc/06/58/89/594065889.db2.gz NALCHVVWZFNFNS-RYUDHWBXSA-N -1 0 349.391 1.296 20 30 EDEDRM N#CCN(C(=O)c1ncc(-c2nn[nH]n2)cc1Cl)C1CCCC1 ZINC000822810982 594104705 /nfs/dbraw/zinc/10/47/05/594104705.db2.gz QCVYXYJVUJKJHM-UHFFFAOYSA-N -1 0 331.767 1.823 20 30 EDEDRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000825274319 594159641 /nfs/dbraw/zinc/15/96/41/594159641.db2.gz TUZFEWIASRGXTA-WDEREUQCSA-N -1 0 338.389 1.010 20 30 EDEDRM C#CCNC(=O)c1ccccc1NC(=O)CN(CC1CC1)C(=O)[O-] ZINC000823457114 594204136 /nfs/dbraw/zinc/20/41/36/594204136.db2.gz VFUSBUMGSYDNIV-UHFFFAOYSA-N -1 0 329.356 1.378 20 30 EDEDRM C#CCNC(=O)c1ccc(N2CCC(CN(CC)C(=O)[O-])CC2)nc1 ZINC000823457092 594204155 /nfs/dbraw/zinc/20/41/55/594204155.db2.gz UOXNMWWOAUYIFW-UHFFFAOYSA-N -1 0 344.415 1.661 20 30 EDEDRM C#Cc1cccc(NC(=O)C(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000823473607 594206998 /nfs/dbraw/zinc/20/69/98/594206998.db2.gz GUCDGMCXYPZFBL-OAHLLOKOSA-N -1 0 345.399 1.747 20 30 EDEDRM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N ZINC000825617885 594206989 /nfs/dbraw/zinc/20/69/89/594206989.db2.gz TTWBADINCYQKGC-IUODEOHRSA-N -1 0 343.383 1.657 20 30 EDEDRM C=C(Cl)CNC(=O)C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1 ZINC000823480550 594208376 /nfs/dbraw/zinc/20/83/76/594208376.db2.gz GGIWBYMGKFROPJ-UHFFFAOYSA-N -1 0 339.779 1.994 20 30 EDEDRM C#CCOc1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC000825632221 594209254 /nfs/dbraw/zinc/20/92/54/594209254.db2.gz VNUWDQYUJDMLSS-UHFFFAOYSA-N -1 0 344.367 1.398 20 30 EDEDRM C=C(Br)CNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000825642315 594210337 /nfs/dbraw/zinc/21/03/37/594210337.db2.gz OVDBPAHABQEDTD-UHFFFAOYSA-N -1 0 341.161 1.657 20 30 EDEDRM C=CCNC(=O)c1ccc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000823510930 594212320 /nfs/dbraw/zinc/21/23/20/594212320.db2.gz KWGJKQCCQUITKT-AWEZNQCLSA-N -1 0 347.371 1.310 20 30 EDEDRM C=CCNc1ncc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)s1 ZINC000825692493 594227064 /nfs/dbraw/zinc/22/70/64/594227064.db2.gz XBJCXZCIKZDVBQ-NSHDSACASA-N -1 0 339.417 1.837 20 30 EDEDRM CC[C@H](NC(=O)[O-])C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000827547647 594230437 /nfs/dbraw/zinc/23/04/37/594230437.db2.gz IDGMLICVPQVFDO-NSHDSACASA-N -1 0 330.300 1.698 20 30 EDEDRM CCn1nc(C)c(C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)c1C ZINC000825806738 594251647 /nfs/dbraw/zinc/25/16/47/594251647.db2.gz BWENMWHUZKDMGA-UHFFFAOYSA-N -1 0 340.391 1.361 20 30 EDEDRM CC(=NN=c1[nH]c2cc(F)c(F)cc2[nH]1)c1cn(CC(=O)[O-])nn1 ZINC000825809540 594252248 /nfs/dbraw/zinc/25/22/48/594252248.db2.gz YUMNGRNLWQEIBY-UHFFFAOYSA-N -1 0 335.274 1.353 20 30 EDEDRM C[C@H]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)[C@H]1CNC(=O)[O-] ZINC000825900654 594272901 /nfs/dbraw/zinc/27/29/01/594272901.db2.gz IXBZQZSEDDSODZ-JSGCOSHPSA-N -1 0 344.367 1.662 20 30 EDEDRM 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1.193 20 30 EDEDRM CC#CC[C@H](NS(=O)(=O)c1cccc2c1OC(F)(F)O2)C(=O)[O-] ZINC000573545059 448653074 /nfs/dbraw/zinc/65/30/74/448653074.db2.gz OHILLSDOEQPPAB-QMMMGPOBSA-N -1 0 347.295 1.153 20 30 EDEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000567502524 448704290 /nfs/dbraw/zinc/70/42/90/448704290.db2.gz XLUVWVHYSPTPSH-IUODEOHRSA-N -1 0 336.413 1.625 20 30 EDEDRM COCCCn1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cn1 ZINC000528918751 448711843 /nfs/dbraw/zinc/71/18/43/448711843.db2.gz JSYAHNKGLQEVGV-HNNXBMFYSA-N -1 0 332.404 1.691 20 30 EDEDRM C=CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC000567797053 448764160 /nfs/dbraw/zinc/76/41/60/448764160.db2.gz LSDHTSIKUPLSLS-UHFFFAOYSA-N -1 0 340.357 1.880 20 30 EDEDRM C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000529114822 448765504 /nfs/dbraw/zinc/76/55/04/448765504.db2.gz UZYKTPHGPJIKHA-NSHDSACASA-N -1 0 340.401 1.274 20 30 EDEDRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)c2ccc(C#N)c(Cl)c2)CO1 ZINC000529113563 448765956 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C[C@@H](C#N)CN(C)S(=O)(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000574815168 448964106 /nfs/dbraw/zinc/96/41/06/448964106.db2.gz RXNAEZPGGVTDIS-RYUDHWBXSA-N -1 0 339.417 1.698 20 30 EDEDRM C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])C1(C)CCCCC1 ZINC000581373053 448973911 /nfs/dbraw/zinc/97/39/11/448973911.db2.gz IDWWODQWYCYFJL-VXGBXAGGSA-N -1 0 331.438 1.336 20 30 EDEDRM N#Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])Cc2ccccc2)cn1 ZINC000547890276 448945067 /nfs/dbraw/zinc/94/50/67/448945067.db2.gz TYZQYBPGEXLVAU-UHFFFAOYSA-N -1 0 345.380 1.619 20 30 EDEDRM CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000548566856 449059375 /nfs/dbraw/zinc/05/93/75/449059375.db2.gz RBSXBCKPWYLGIT-VIFPVBQESA-N -1 0 341.345 1.198 20 30 EDEDRM CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000593269884 449198389 /nfs/dbraw/zinc/19/83/89/449198389.db2.gz SCXMINNVDUMJAZ-CQSZACIVSA-N -1 0 342.392 1.958 20 30 EDEDRM N#Cc1sccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C(F)(F)C1 ZINC000593271839 449199409 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1.184 20 30 EDEDRM N#CCCCS(=O)(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC000596040311 449332153 /nfs/dbraw/zinc/33/21/53/449332153.db2.gz UFBSYNKTBLSAMA-UHFFFAOYSA-N -1 0 327.362 1.186 20 30 EDEDRM CC[C@H](c1ccccc1)N(CC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC000602087027 449333877 /nfs/dbraw/zinc/33/38/77/449333877.db2.gz WDWOSLHNIFGANA-OAHLLOKOSA-N -1 0 340.383 1.820 20 30 EDEDRM CCC[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCCC2)[C@@H]1C(=O)[O-] ZINC000590898555 449337452 /nfs/dbraw/zinc/33/74/52/449337452.db2.gz FTTLNJYKALCKDX-OLZOCXBDSA-N -1 0 328.434 1.975 20 30 EDEDRM CO[C@@H]1CN(S(=O)(=O)c2cccc(C)c2C#N)[C@](C)(C(=O)[O-])C1 ZINC000600659381 449476107 /nfs/dbraw/zinc/47/61/07/449476107.db2.gz PCMGDNQRQLVRPR-NHYWBVRUSA-N -1 0 338.385 1.119 20 30 EDEDRM Cc1nn(C)c(N2CCC2)c1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000600669229 449483030 /nfs/dbraw/zinc/48/30/30/449483030.db2.gz JUYJULGURVNPEV-UHFFFAOYSA-N -1 0 332.389 1.006 20 30 EDEDRM N#Cc1cc([O-])cc(C(=O)Nc2c[nH]cc(Br)c2=O)c1 ZINC000614302637 449551689 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338.385 1.105 20 30 EDEDRM Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000600890691 449588415 /nfs/dbraw/zinc/58/84/15/449588415.db2.gz FAVWIWVNACEFKA-RNCFNFMXSA-N -1 0 340.376 1.880 20 30 EDEDRM N#CC[C@H]1CCCN([C@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000594661212 449614625 /nfs/dbraw/zinc/61/46/25/449614625.db2.gz XHFFKYHKJMBEHJ-DOMZBBRYSA-N -1 0 341.367 1.642 20 30 EDEDRM CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](C)[C@@H](CC(=O)[O-])C1 ZINC000594673680 449620658 /nfs/dbraw/zinc/62/06/58/449620658.db2.gz SOIRNNLTOSLKNJ-UPJWGTAASA-N -1 0 331.438 1.145 20 30 EDEDRM Cc1cccc(S(=O)(=O)N2CC3(CCCC3)[C@@H]2C(=O)[O-])c1C#N ZINC000594675557 449621628 /nfs/dbraw/zinc/62/16/28/449621628.db2.gz UHUKCAHUZYRCST-AWEZNQCLSA-N -1 0 334.397 1.885 20 30 EDEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000594746788 449664193 /nfs/dbraw/zinc/66/41/93/449664193.db2.gz AZWNAVXFOZTVEE-MRXNPFEDSA-N -1 0 333.413 1.769 20 30 EDEDRM COC(=O)C(C)(C)n1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)n1 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20 30 EDEDRM C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000595260766 449983444 /nfs/dbraw/zinc/98/34/44/449983444.db2.gz KTBMROLRHSVCIU-FABXCBLPSA-N -1 0 329.356 1.362 20 30 EDEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)c(F)c1 ZINC000610057704 450133076 /nfs/dbraw/zinc/13/30/76/450133076.db2.gz FPCWOLWKVNBIIU-UHFFFAOYSA-N -1 0 345.355 1.784 20 30 EDEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)s1 ZINC000610725225 450312764 /nfs/dbraw/zinc/31/27/64/450312764.db2.gz OFVFIGBEOIABBV-UHFFFAOYSA-N -1 0 329.384 1.664 20 30 EDEDRM COc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(OC)n1 ZINC000619462312 450481859 /nfs/dbraw/zinc/48/18/59/450481859.db2.gz CYHYNCUSOPYYKQ-UHFFFAOYSA-N -1 0 333.369 1.966 20 30 EDEDRM Cc1csc(C(C#N)=C([O-])c2ccnc(N3CCOCC3)n2)n1 ZINC000626283116 450662827 /nfs/dbraw/zinc/66/28/27/450662827.db2.gz DWUSCKNTQOHJKL-LLVKDONJSA-N -1 0 329.385 1.568 20 30 EDEDRM C=CCOC[C@H](NC(=O)c1cc(C)n([C@H]2CCOC2)c1C)C(=O)[O-] ZINC000630185597 451036000 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1.433 20 30 EDEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000643172211 452055039 /nfs/dbraw/zinc/05/50/39/452055039.db2.gz CHAFGVABQBJNFS-GJZGRUSLSA-N -1 0 346.383 1.098 20 30 EDEDRM C=CCOC[C@@H](NC(=O)COc1cc(C)ccc1Cl)C(=O)[O-] ZINC000653657496 452063984 /nfs/dbraw/zinc/06/39/84/452063984.db2.gz AUUYJQYZJPRCAH-GFCCVEGCSA-N -1 0 327.764 1.799 20 30 EDEDRM C=CCn1cc(CNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)nn1 ZINC000652098542 452291140 /nfs/dbraw/zinc/29/11/40/452291140.db2.gz LGAKESWIYPQPQR-QGZVFWFLSA-N -1 0 343.387 1.306 20 30 EDEDRM C=CCOc1cccnc1C(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC000652111486 452303510 /nfs/dbraw/zinc/30/35/10/452303510.db2.gz WLVUEOCCEZFPLL-LBPRGKRZSA-N -1 0 334.372 1.789 20 30 EDEDRM C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647591784 452327830 /nfs/dbraw/zinc/32/78/30/452327830.db2.gz KCFZMXKWEDKQDU-JKSUJKDBSA-N -1 0 344.411 1.961 20 30 EDEDRM C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc2C1=O ZINC000655571035 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CCN(CC1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1)C(=O)[O-] ZINC000827092669 594639340 /nfs/dbraw/zinc/63/93/40/594639340.db2.gz GNLQQCAMBUMPJJ-KRWDZBQOSA-N -1 0 336.436 1.507 20 30 EDEDRM COCCc1noc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000831795705 594703493 /nfs/dbraw/zinc/70/34/93/594703493.db2.gz GJYWCDIHTARAES-OAHLLOKOSA-N -1 0 330.344 1.388 20 30 EDEDRM COc1cc(C#N)ccc1OCCCC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000831861270 594707794 /nfs/dbraw/zinc/70/77/94/594707794.db2.gz SEEOCLKWDOVNLT-TZMCWYRMSA-N -1 0 346.383 1.905 20 30 EDEDRM COc1cccc([C@@H](O)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832534095 594757035 /nfs/dbraw/zinc/75/70/35/594757035.db2.gz STQNGOPBCRVMNG-CVEARBPZSA-N -1 0 341.319 1.969 20 30 EDEDRM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000832597632 594762699 /nfs/dbraw/zinc/76/26/99/594762699.db2.gz VDLLESBWCNZVQC-LURJTMIESA-N -1 0 345.289 1.988 20 30 EDEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCC#Cc1ccccc1 ZINC000832913648 594784663 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327.344 1.184 20 30 EDEDRM N#CCN(CC(=O)[O-])C(=O)c1cc(OCc2ccccc2)ccn1 ZINC000833066246 594795458 /nfs/dbraw/zinc/79/54/58/594795458.db2.gz REJFBIOIZZFRBE-UHFFFAOYSA-N -1 0 325.324 1.711 20 30 EDEDRM O=C([O-])CC1(NC(=O)CCNC(=O)C2N=CC=CC2=O)CCCCC1 ZINC000833202806 594804353 /nfs/dbraw/zinc/80/43/53/594804353.db2.gz PGBRTFZCOAGMTJ-NXVVXOECSA-N -1 0 349.387 1.197 20 30 EDEDRM C#CCCS(=O)(=O)[N-]C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000835372600 594819326 /nfs/dbraw/zinc/81/93/26/594819326.db2.gz VMSKDVFSAVWYAL-UHFFFAOYSA-N -1 0 338.341 1.027 20 30 EDEDRM COc1cc(C(=O)[N-]S(=O)(=O)CCC#N)cc(OC)c1C(C)C ZINC000835409417 594824031 /nfs/dbraw/zinc/82/40/31/594824031.db2.gz WHZVFGYOUIGVDR-UHFFFAOYSA-N -1 0 340.401 1.800 20 30 EDEDRM N#CC1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000840896654 594824550 /nfs/dbraw/zinc/82/45/50/594824550.db2.gz GBUQMNBAWMIARF-UHFFFAOYSA-N -1 0 328.777 1.962 20 30 EDEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)nn1C(C)C ZINC000835463114 594830999 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C=CCn1c(SCC(=O)NCC(=O)[O-])nnc1-c1cccs1 ZINC000819720245 593765220 /nfs/dbraw/zinc/76/52/20/593765220.db2.gz PYRIEHOXQJAYNS-UHFFFAOYSA-N -1 0 338.414 1.486 20 30 EDEDRM CC(=O)Nc1ccc(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000819788443 593769260 /nfs/dbraw/zinc/76/92/60/593769260.db2.gz HJAWIYORQBQAQJ-INIZCTEOSA-N -1 0 332.312 1.375 20 30 EDEDRM CC(=O)Nc1cccc(NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC000819796587 593769571 /nfs/dbraw/zinc/76/95/71/593769571.db2.gz AQLWPHMHODKWDN-INIZCTEOSA-N -1 0 347.327 1.131 20 30 EDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000819823429 593771116 /nfs/dbraw/zinc/77/11/16/593771116.db2.gz UVFOKKQMGHRTAL-SJCJKPOMSA-N -1 0 329.356 1.192 20 30 EDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000819832299 593771193 /nfs/dbraw/zinc/77/11/93/593771193.db2.gz AQJXRFSAUCOVEP-QGZVFWFLSA-N -1 0 348.374 1.995 20 30 EDEDRM CC(C)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000819835492 593771620 /nfs/dbraw/zinc/77/16/20/593771620.db2.gz VMUVVVGHRLDFJM-SFHVURJKSA-N -1 0 346.383 1.856 20 30 EDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000819846638 593771978 /nfs/dbraw/zinc/77/19/78/593771978.db2.gz FIZYSPXMZLFWOU-GOSISDBHSA-N -1 0 345.399 1.504 20 30 EDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)Nc1ccc(F)cc1F ZINC000819865262 593772508 /nfs/dbraw/zinc/77/25/08/593772508.db2.gz JPQGJBCRJUPFAJ-CQSZACIVSA-N -1 0 326.255 1.451 20 30 EDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)Nc1ccc(CC#N)cc1 ZINC000819866089 593772610 /nfs/dbraw/zinc/77/26/10/593772610.db2.gz RLTYTWBMYOQCKK-MRXNPFEDSA-N -1 0 329.312 1.239 20 30 EDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(NS(C)(=O)=O)cc1 ZINC000819874750 593772851 /nfs/dbraw/zinc/77/28/51/593772851.db2.gz QKLAIQJKBJSIJH-AWEZNQCLSA-N -1 0 340.357 1.106 20 30 EDEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)CCOCC1 ZINC000819938893 593778273 /nfs/dbraw/zinc/77/82/73/593778273.db2.gz QPFVMMYXFRIBOY-UHFFFAOYSA-N -1 0 348.424 1.877 20 30 EDEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2c(cn1)OCCO2 ZINC000819945508 593778695 /nfs/dbraw/zinc/77/86/95/593778695.db2.gz UOIROMJBKMLWMU-GFCCVEGCSA-N -1 0 329.356 1.624 20 30 EDEDRM CCCS(=O)(=O)[N-]C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000820089902 593790114 /nfs/dbraw/zinc/79/01/14/593790114.db2.gz DFDCBLSURKMIDQ-LLVKDONJSA-N -1 0 347.437 1.430 20 30 EDEDRM CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000820517489 593825451 /nfs/dbraw/zinc/82/54/51/593825451.db2.gz IVKGGTZZTYFORH-ZBEGNZNMSA-N -1 0 339.392 1.459 20 30 EDEDRM CN(CC(=O)Nc1ccccc1Cl)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820562191 593833221 /nfs/dbraw/zinc/83/32/21/593833221.db2.gz ATIVYCVHRUATLR-OAHLLOKOSA-N -1 0 337.763 1.741 20 30 EDEDRM COC(=O)c1cccc(COC(=O)[C@](C)(C#N)CC(=O)[O-])c1C#N ZINC000820689319 593864070 /nfs/dbraw/zinc/86/40/70/593864070.db2.gz COABZYDJAPUBLC-INIZCTEOSA-N -1 0 330.296 1.393 20 30 EDEDRM CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000824057721 593920076 /nfs/dbraw/zinc/92/00/76/593920076.db2.gz STPUTCRWAXQRBN-RWSFTLGLSA-N -1 0 325.365 1.020 20 30 EDEDRM Cc1cc(N2CCC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C2)nc(C)n1 ZINC000820979663 593934442 /nfs/dbraw/zinc/93/44/42/593934442.db2.gz BLQSZKWUYGWDGO-GUYCJALGSA-N -1 0 345.403 1.183 20 30 EDEDRM C#C[C@@](C)(CC)NC(=O)c1cc(=O)cc(C(=O)N[C@@](C)(C#C)CC)[n-]1 ZINC000821005127 593943490 /nfs/dbraw/zinc/94/34/90/593943490.db2.gz YHPXYJJYLUNEOA-OALUTQOASA-N -1 0 341.411 1.438 20 30 EDEDRM Cc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c(N2CCOCC2)c1 ZINC000821078985 593960591 /nfs/dbraw/zinc/96/05/91/593960591.db2.gz FPCWGQSJSJMYCX-SFHVURJKSA-N -1 0 345.399 1.452 20 30 EDEDRM C[C@H](CC(=O)O[C@H]1CCN(c2sccc2C#N)C1=O)NC(=O)[O-] ZINC000824722614 594062094 /nfs/dbraw/zinc/06/20/94/594062094.db2.gz XPDVYDWLZKIVCC-SCZZXKLOSA-N -1 0 337.357 1.314 20 30 EDEDRM CC1(C#N)CN(C(=O)c2cnc(I)c([O-])c2)C1 ZINC000822617549 594074428 /nfs/dbraw/zinc/07/44/28/594074428.db2.gz WLJAUJOXJBCJMZ-UHFFFAOYSA-N -1 0 343.124 1.377 20 30 EDEDRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)N[C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000825151021 594136879 /nfs/dbraw/zinc/13/68/79/594136879.db2.gz ZZNJHOPGGVYGSW-YWPYICTPSA-N -1 0 346.387 1.686 20 30 EDEDRM Cc1nc(SCC(=O)NCCOCC(=O)[O-])c(C#N)c(C)c1C ZINC000823329304 594186892 /nfs/dbraw/zinc/18/68/92/594186892.db2.gz FPUPBZWBQJBGOO-UHFFFAOYSA-N -1 0 337.401 1.188 20 30 EDEDRM C#CCCCCNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000823441271 594202551 /nfs/dbraw/zinc/20/25/51/594202551.db2.gz ZNNQXTYWRLXUAN-UHFFFAOYSA-N -1 0 343.383 1.975 20 30 EDEDRM C#CCCCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000825600284 594205134 /nfs/dbraw/zinc/20/51/34/594205134.db2.gz GOAFRPXLMJZFIQ-UHFFFAOYSA-N -1 0 346.339 1.030 20 30 EDEDRM C#CCOc1ccccc1[C@H](C)OC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823467383 594205750 /nfs/dbraw/zinc/20/57/50/594205750.db2.gz VCBRXLFLIUFXAC-WFASDCNBSA-N -1 0 333.340 1.682 20 30 EDEDRM C#Cc1cccc(NC(=O)C(=O)N[C@H](CCCC)CNC(=O)[O-])c1 ZINC000823473275 594206611 /nfs/dbraw/zinc/20/66/11/594206611.db2.gz CLKPOAWUDVAMCU-CQSZACIVSA-N -1 0 331.372 1.549 20 30 EDEDRM C=C(Cl)CNC(=O)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000823480939 594208299 /nfs/dbraw/zinc/20/82/99/594208299.db2.gz SSBBGZPQWKDJDG-UHFFFAOYSA-N -1 0 325.752 1.604 20 30 EDEDRM C=C(C)COCCNC(=O)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000825642072 594210149 /nfs/dbraw/zinc/21/01/49/594210149.db2.gz HHFTUJBWOWPWPC-UHFFFAOYSA-N -1 0 349.387 1.444 20 30 EDEDRM C=CCNC(=O)c1ccc(N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)nc1 ZINC000823510494 594212130 /nfs/dbraw/zinc/21/21/30/594212130.db2.gz ACTBHTURZAJBLW-GXTWGEPZSA-N -1 0 332.404 1.870 20 30 EDEDRM C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)cc1 ZINC000823511024 594212155 /nfs/dbraw/zinc/21/21/55/594212155.db2.gz NMYOJZOLIDXMAG-AWEZNQCLSA-N -1 0 346.387 1.818 20 30 EDEDRM C=CCNC(=O)c1ccc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000823510931 594212218 /nfs/dbraw/zinc/21/22/18/594212218.db2.gz KWGJKQCCQUITKT-CQSZACIVSA-N -1 0 347.371 1.310 20 30 EDEDRM C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)c1 ZINC000823516958 594213212 /nfs/dbraw/zinc/21/32/12/594213212.db2.gz ZVJLIKPNXOIOLL-CYBMUJFWSA-N -1 0 347.371 1.401 20 30 EDEDRM CC(=NNC(=S)NC[C@H]1CCCO1)[C@H]1CCCCN1C(=O)[O-] ZINC000823533029 594214868 /nfs/dbraw/zinc/21/48/68/594214868.db2.gz PHEZYNCTGBHSFJ-VXGBXAGGSA-N -1 0 328.438 1.538 20 30 EDEDRM CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000829643109 594231006 /nfs/dbraw/zinc/23/10/06/594231006.db2.gz TWCCLBZLMPRAAC-VIFPVBQESA-N -1 0 335.360 1.495 20 30 EDEDRM C[C@](O)(CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)C(F)(F)F ZINC000827773389 594275542 /nfs/dbraw/zinc/27/55/42/594275542.db2.gz KOBRUABUEBSITK-AAEUAGOBSA-N -1 0 331.246 1.931 20 30 EDEDRM CN(C(=O)[O-])[C@@H]1CCN(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000827882235 594296467 /nfs/dbraw/zinc/29/64/67/594296467.db2.gz MPVAAWYDQOWDMT-GFCCVEGCSA-N -1 0 348.428 1.925 20 30 EDEDRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc2ccccc2cc1C#N ZINC000830166976 594349274 /nfs/dbraw/zinc/34/92/74/594349274.db2.gz CSVVWTHQGXNUBG-LLVKDONJSA-N -1 0 331.397 1.930 20 30 EDEDRM CN(C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-] ZINC000828229697 594370874 /nfs/dbraw/zinc/37/08/74/594370874.db2.gz HFOQVIUJVVZSEF-LBPRGKRZSA-N -1 0 341.364 1.460 20 30 EDEDRM CN(C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC000828237043 594372177 /nfs/dbraw/zinc/37/21/77/594372177.db2.gz XULBDQAAMNTEMN-NSHDSACASA-N -1 0 348.334 1.094 20 30 EDEDRM CCc1nc2n(n1)CCC[C@@H]2N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830328250 594376554 /nfs/dbraw/zinc/37/65/54/594376554.db2.gz NSXPDGUHACOXCV-ZFWWWQNUSA-N -1 0 325.372 1.963 20 30 EDEDRM CSc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)ccc1F ZINC000826230210 594388669 /nfs/dbraw/zinc/38/86/69/594388669.db2.gz JOJQSFBXLAFEFX-UHFFFAOYSA-N -1 0 344.335 1.575 20 30 EDEDRM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)c1C#N ZINC000830511449 594409957 /nfs/dbraw/zinc/40/99/57/594409957.db2.gz IGCBMWRPWUNRKF-LBPRGKRZSA-N -1 0 344.371 1.264 20 30 EDEDRM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[O-])C2)c1C#N ZINC000830512338 594410321 /nfs/dbraw/zinc/41/03/21/594410321.db2.gz YHJLMUFCJYZIAL-LBPRGKRZSA-N -1 0 344.371 1.311 20 30 EDEDRM Cc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c(Cl)c1C ZINC000826282172 594410642 /nfs/dbraw/zinc/41/06/42/594410642.db2.gz BKKDDWGLPBGPIO-UHFFFAOYSA-N -1 0 342.750 1.984 20 30 EDEDRM N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccccc1Br ZINC000826383091 594452899 /nfs/dbraw/zinc/45/28/99/594452899.db2.gz JWHDYBYLGWFIFH-UHFFFAOYSA-N -1 0 330.149 1.746 20 30 EDEDRM N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)c1ccc2c(c1)CCCC2 ZINC000826383273 594453716 /nfs/dbraw/zinc/45/37/16/594453716.db2.gz SCBHRAHNDVIFMH-UHFFFAOYSA-N -1 0 333.355 1.697 20 30 EDEDRM CN(CCC#N)S(=O)(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830727505 594466018 /nfs/dbraw/zinc/46/60/18/594466018.db2.gz VTDFMCRLGHJHQH-CYBMUJFWSA-N -1 0 339.417 1.518 20 30 EDEDRM O=C([O-])c1ccc(N=NCc2cnc3ccc(-c4nn[nH]n4)cn23)nc1 ZINC000826462134 594485771 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N#Cc1ccc(S(=O)(=O)N[C@H]2CCCN(C(=O)[O-])C2)c(Cl)c1 ZINC000833977552 594979818 /nfs/dbraw/zinc/97/98/18/594979818.db2.gz UBTXWHQCKUIHLF-JTQLQIEISA-N -1 0 343.792 1.632 20 30 EDEDRM N#CCc1ccc(CS(=O)(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000843302395 595067921 /nfs/dbraw/zinc/06/79/21/595067921.db2.gz JYHMTKSWJKVBLM-UHFFFAOYSA-N -1 0 336.413 1.960 20 30 EDEDRM C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1F ZINC000845926713 595097825 /nfs/dbraw/zinc/09/78/25/595097825.db2.gz TZCSDVAJBFFMCY-GFCCVEGCSA-N -1 0 343.376 1.055 20 30 EDEDRM C[C@H](NS(=O)(=O)c1cccnc1C#N)[C@@](C)(O)c1ccccc1 ZINC000845978110 595111830 /nfs/dbraw/zinc/11/18/30/595111830.db2.gz AINFQFCNDJRIRK-BLLLJJGKSA-N -1 0 331.397 1.528 20 30 EDEDRM C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)C[C@H](OC)C(C)C ZINC000842578237 595131368 /nfs/dbraw/zinc/13/13/68/595131368.db2.gz VWLXCFRGPGJKTH-HNNXBMFYSA-N -1 0 338.429 1.462 20 30 EDEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1 ZINC000846145593 595156279 /nfs/dbraw/zinc/15/62/79/595156279.db2.gz 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ZINC000842681072 595168961 /nfs/dbraw/zinc/16/89/61/595168961.db2.gz HGNNLUUZVYJHFL-OAHLLOKOSA-N -1 0 326.331 1.956 20 30 EDEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC(C)(C)C)cn1 ZINC000842685153 595170122 /nfs/dbraw/zinc/17/01/22/595170122.db2.gz SFNPFHKXVYJDDN-GFCCVEGCSA-N -1 0 347.371 1.122 20 30 EDEDRM CC(C)Cn1nccc1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000842705250 595175269 /nfs/dbraw/zinc/17/52/69/595175269.db2.gz VAJDVGFCAJZWOU-UHFFFAOYSA-N -1 0 346.412 1.671 20 30 EDEDRM C[NH+](C)CCONC(=O)Cc1ccc(Br)cc1C#N ZINC000846231950 595180832 /nfs/dbraw/zinc/18/08/32/595180832.db2.gz KORANAMPAAJQKD-UHFFFAOYSA-N -1 0 326.194 1.473 20 30 EDEDRM C#CCn1ccc(CN(CC)C(=O)c2ccc3oc(=O)nc-3[n-]2)n1 ZINC000834704871 595194712 /nfs/dbraw/zinc/19/47/12/595194712.db2.gz AWSFVHMESQTCQN-UHFFFAOYSA-N -1 0 325.328 1.420 20 30 EDEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OC(F)(F)O2 ZINC000835057531 595254686 /nfs/dbraw/zinc/25/46/86/595254686.db2.gz PUGSONCPMXMLCC-SNVBAGLBSA-N -1 0 340.282 1.483 20 30 EDEDRM 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/nfs/dbraw/zinc/36/94/98/595369498.db2.gz NZESYKLOOVFLTG-LBPRGKRZSA-N -1 0 342.421 1.579 20 30 EDEDRM C#CCN(C(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CCCC1 ZINC000848612786 595417767 /nfs/dbraw/zinc/41/77/67/595417767.db2.gz XMCRHBVQBDWSKI-VHDGCEQUSA-N -1 0 348.443 1.642 20 30 EDEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1C(=O)N(C)C(C)C ZINC000847533146 595442139 /nfs/dbraw/zinc/44/21/39/595442139.db2.gz FPDITMWCXLMGGT-LBPRGKRZSA-N -1 0 333.388 1.728 20 30 EDEDRM COc1ccc2c(c1)[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)CCC2 ZINC000847675055 595466883 /nfs/dbraw/zinc/46/68/83/595466883.db2.gz OZUWJXQTOOVTKB-AWEZNQCLSA-N -1 0 336.413 1.865 20 30 EDEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(C(F)F)nc2)CCC1 ZINC000847685007 595468446 /nfs/dbraw/zinc/46/84/46/595468446.db2.gz CXPLSENUMZAQLX-UHFFFAOYSA-N -1 0 329.328 1.773 20 30 EDEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCO[C@H]2c2ccncc2)CCC1 ZINC000845520932 595511006 /nfs/dbraw/zinc/51/10/06/595511006.db2.gz UNQJTBSWTVFVMI-KGLIPLIRSA-N -1 0 349.412 1.299 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580960267 /nfs/dbraw/zinc/96/02/67/580960267.db2.gz DZEGWVMQYTUVGV-UHFFFAOYSA-N -1 0 346.412 1.439 20 30 EDEDRM CCc1nc(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)c(C)o1 ZINC000796727403 580960628 /nfs/dbraw/zinc/96/06/28/580960628.db2.gz HOIPIHVWICQLCS-UHFFFAOYSA-N -1 0 333.369 1.677 20 30 EDEDRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)c2ccccc21 ZINC000796805134 580962345 /nfs/dbraw/zinc/96/23/45/580962345.db2.gz SVRDCRLKUYQHCM-UHFFFAOYSA-N -1 0 340.364 1.564 20 30 EDEDRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)nnn1C(C)C ZINC000796815466 580962629 /nfs/dbraw/zinc/96/26/29/580962629.db2.gz BCFWYEOMMFFXTM-UHFFFAOYSA-N -1 0 347.400 1.299 20 30 EDEDRM C[C@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000796823246 580962797 /nfs/dbraw/zinc/96/27/97/580962797.db2.gz KIJMKMAOOJDGKK-VXGBXAGGSA-N -1 0 326.418 1.522 20 30 EDEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000797741104 580980317 /nfs/dbraw/zinc/98/03/17/580980317.db2.gz WEVNKRYQVZBTPX-UHFFFAOYSA-N -1 0 326.374 1.336 20 30 EDEDRM C#CCOc1ccc(NC(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])cc1 ZINC000797744740 580980387 /nfs/dbraw/zinc/98/03/87/580980387.db2.gz XCNWLIMTSYZBFH-GJZGRUSLSA-N -1 0 332.356 1.795 20 30 EDEDRM Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000797938585 580984171 /nfs/dbraw/zinc/98/41/71/580984171.db2.gz DMQSCKRHAVAOJK-UHFFFAOYSA-N -1 0 329.337 1.591 20 30 EDEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000798845385 581010414 /nfs/dbraw/zinc/01/04/14/581010414.db2.gz JJMBUIKXBJLXLN-UHFFFAOYSA-N -1 0 329.328 1.757 20 30 EDEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccn(C3CCCC3)n2)cc1 ZINC000121259694 590667948 /nfs/dbraw/zinc/66/79/48/590667948.db2.gz XQVOLTQRUHUSIE-UHFFFAOYSA-N -1 0 344.396 1.989 20 30 EDEDRM O=C([N-]C[C@H](N1CCOCC1)C(F)(F)F)C(F)(F)C(F)F ZINC000804713977 590750063 /nfs/dbraw/zinc/75/00/63/590750063.db2.gz VBBCDNPTJWTGCC-LURJTMIESA-N -1 0 326.212 1.266 20 30 EDEDRM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000892411233 591017378 /nfs/dbraw/zinc/01/73/78/591017378.db2.gz KMCPMCWVOQUQAP-CYBMUJFWSA-N -1 0 348.424 1.854 20 30 EDEDRM C#CCOc1ccc(C(=O)[N-]S(=O)(=O)CC[C@H]2CCCO2)cc1 ZINC000893712817 591059474 /nfs/dbraw/zinc/05/94/74/591059474.db2.gz RLFFEZHWTQMZRI-CQSZACIVSA-N -1 0 337.397 1.327 20 30 EDEDRM C#CC1(O)CCN(C(=O)c2nn(-c3ccccc3CC)cc2[O-])CC1 ZINC000899115875 591694418 /nfs/dbraw/zinc/69/44/18/591694418.db2.gz ZOSDEXHXFSQYII-UHFFFAOYSA-N -1 0 339.395 1.741 20 30 EDEDRM Cn1nc2c(c1/C=C1/CCc3occ(C(=O)[O-])c3C1=O)COCC2 ZINC000899380117 591794158 /nfs/dbraw/zinc/79/41/58/591794158.db2.gz MAIFFBXTCPORGH-TWGQIWQCSA-N -1 0 328.324 1.997 20 30 EDEDRM O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000899927284 591984033 /nfs/dbraw/zinc/98/40/33/591984033.db2.gz UOCGUCRAAVEDRJ-JTQLQIEISA-N -1 0 345.779 1.968 20 30 EDEDRM N#CCc1cccc(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)c1 ZINC000899927536 591984228 /nfs/dbraw/zinc/98/42/28/591984228.db2.gz WXIRKEAVBPOCLY-AWEZNQCLSA-N -1 0 332.381 1.241 20 30 EDEDRM O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000899931193 591986121 /nfs/dbraw/zinc/98/61/21/591986121.db2.gz YSTKHXUPCXHSGF-JTQLQIEISA-N -1 0 345.779 1.968 20 30 EDEDRM O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)c2cccc3ncccc32)C1 ZINC000899931180 591986286 /nfs/dbraw/zinc/98/62/86/591986286.db2.gz YHLNLQUZQGODMV-CYBMUJFWSA-N -1 0 344.392 1.724 20 30 EDEDRM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccncc1C#N ZINC000903149655 592128965 /nfs/dbraw/zinc/12/89/65/592128965.db2.gz CFDAEURKWYCOBN-HNNXBMFYSA-N -1 0 331.397 1.375 20 30 EDEDRM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccncc1C#N ZINC000903149661 592129039 /nfs/dbraw/zinc/12/90/39/592129039.db2.gz CFDAEURKWYCOBN-OAHLLOKOSA-N -1 0 331.397 1.375 20 30 EDEDRM Cc1cc(N2CCOC[C@H]2C(=O)[O-])n2c3ccccc3nc2c1C#N ZINC000900945766 592173254 /nfs/dbraw/zinc/17/32/54/592173254.db2.gz OLZBAGVRTKXDKB-HNNXBMFYSA-N -1 0 336.351 1.957 20 30 EDEDRM Cc1nn(C)c(N2CCN(Cc3ccc(C(=O)[O-])s3)CC2)c1C#N ZINC000903685712 592275521 /nfs/dbraw/zinc/27/55/21/592275521.db2.gz YZAQEKWYIMOWDX-UHFFFAOYSA-N -1 0 345.428 1.682 20 30 EDEDRM Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC000903838748 592339999 /nfs/dbraw/zinc/33/99/99/592339999.db2.gz RIKJVKDQCJRUOH-ZDUSSCGKSA-N -1 0 340.426 1.464 20 30 EDEDRM COc1cc([N-]S(=O)(=O)C[C@H](OC)C2CC2)c(F)cc1C#N ZINC000905106716 592409013 /nfs/dbraw/zinc/40/90/13/592409013.db2.gz ZCHYRTLGOINRQK-AWEZNQCLSA-N -1 0 328.365 1.873 20 30 EDEDRM N#C[C@@H]1CSCCN1S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000906920205 592428275 /nfs/dbraw/zinc/42/82/75/592428275.db2.gz WILFSOGXZXGHAM-GFCCVEGCSA-N -1 0 340.426 1.333 20 30 EDEDRM N#C[C@H]1CSCCN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000906920178 592428384 /nfs/dbraw/zinc/42/83/84/592428384.db2.gz VAIYFCHKRCVITQ-QMMMGPOBSA-N -1 0 346.817 1.668 20 30 EDEDRM C#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1 ZINC000907194699 592553868 /nfs/dbraw/zinc/55/38/68/592553868.db2.gz PTEDXMPVHYDMMF-LBPRGKRZSA-N -1 0 332.385 1.060 20 30 EDEDRM C#CC[C@@H](NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1)C(=O)[O-] ZINC000908620928 592564525 /nfs/dbraw/zinc/56/45/25/592564525.db2.gz SBORQZHPOGAGJV-HUUCEWRRSA-N -1 0 332.356 1.842 20 30 EDEDRM C=CCOC[C@H](NC(=O)NC[C@@H]1CC[C@H](C(F)(F)F)O1)C(=O)[O-] ZINC000905601373 592575042 /nfs/dbraw/zinc/57/50/42/592575042.db2.gz FNJOFPRDLIZBTD-LPEHRKFASA-N -1 0 340.298 1.051 20 30 EDEDRM C#CCO[C@H](C)C(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC000908910612 592669700 /nfs/dbraw/zinc/66/97/00/592669700.db2.gz ZWRRFHHMOFIEKQ-GFCCVEGCSA-N -1 0 335.356 1.155 20 30 EDEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCN(c2cc(CC)ncn2)C1 ZINC000908992017 592700485 /nfs/dbraw/zinc/70/04/85/592700485.db2.gz DBTYNSFJBITBOV-CQSZACIVSA-N -1 0 347.419 1.290 20 30 EDEDRM C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000909864060 592709760 /nfs/dbraw/zinc/70/97/60/592709760.db2.gz XQCHOTLOEZCVEO-IPYPFGDCSA-N -1 0 348.403 1.511 20 30 EDEDRM C=CCC1(C(=O)[O-])CN(S(=O)(=O)Cc2ccc(F)cc2F)C1 ZINC000906007081 592715928 /nfs/dbraw/zinc/71/59/28/592715928.db2.gz UIGCHFBYZUDNOO-UHFFFAOYSA-N -1 0 331.340 1.757 20 30 EDEDRM C=C(Cl)C[C@H](NC(=O)NCCCCn1ccnc1C)C(=O)[O-] ZINC000909056194 592722424 /nfs/dbraw/zinc/72/24/24/592722424.db2.gz JHWRVMDUKIJSPC-LBPRGKRZSA-N -1 0 328.800 1.867 20 30 EDEDRM N#CC1(C(=O)NCCc2ccc(OCC(=O)[O-])cc2)CCSCC1 ZINC000907597149 592726515 /nfs/dbraw/zinc/72/65/15/592726515.db2.gz GOZDBUMKVCTCJZ-UHFFFAOYSA-N -1 0 348.424 1.846 20 30 EDEDRM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000906066518 592735761 /nfs/dbraw/zinc/73/57/61/592735761.db2.gz KBLGTVIOIGXZDK-RBZFPXEDSA-N -1 0 327.431 1.670 20 30 EDEDRM C=CCC[C@H](NC(=O)N[C@H]1CCOC2(CCOCC2)C1)C(=O)[O-] ZINC000909159633 592743530 /nfs/dbraw/zinc/74/35/30/592743530.db2.gz JCXJMQYJJZFEAO-STQMWFEESA-N -1 0 326.393 1.433 20 30 EDEDRM C=CCOC[C@H](NC(=O)NC[C@H]1CCCO[C@H]1C(C)C)C(=O)[O-] ZINC000909144208 592747198 /nfs/dbraw/zinc/74/71/98/592747198.db2.gz FHIPHBAPBRVTEH-RDBSUJKOSA-N -1 0 328.409 1.393 20 30 EDEDRM C#CC[C@@H](NC(=O)c1ccc2nc(CC)c(CC)nc2c1)C(=O)[O-] ZINC000910052394 592753115 /nfs/dbraw/zinc/75/31/15/592753115.db2.gz WLGWFCPFISGNGM-OAHLLOKOSA-N -1 0 325.368 1.961 20 30 EDEDRM C#CC[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)C(=O)[O-] ZINC000910053695 592753372 /nfs/dbraw/zinc/75/33/72/592753372.db2.gz HVMVTPVBIYLCKN-GDBMZVCRSA-N -1 0 342.395 1.639 20 30 EDEDRM C#CC[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C(C)C)cc2)C1=O)C(=O)[O-] ZINC000910054454 592753923 /nfs/dbraw/zinc/75/39/23/592753923.db2.gz OOYOOAXXYRMIGV-JKSUJKDBSA-N -1 0 342.395 1.756 20 30 EDEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000909246168 592774588 /nfs/dbraw/zinc/77/45/88/592774588.db2.gz LNTDILWPVPINJU-CFVMTHIKSA-N -1 0 336.363 1.712 20 30 EDEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC000909247636 592784282 /nfs/dbraw/zinc/78/42/82/592784282.db2.gz USLAFZXKKJEDBP-MJBXVCDLSA-N -1 0 326.393 1.147 20 30 EDEDRM C=C(Cl)C[C@H](NC(=O)Cc1cccc(OCCOC)c1)C(=O)[O-] ZINC000910272294 592816286 /nfs/dbraw/zinc/81/62/86/592816286.db2.gz UEWRUGCPZBEOAU-AWEZNQCLSA-N -1 0 341.791 1.966 20 30 EDEDRM C=CCOC[C@H](NC(=O)c1cn(CC)nc1C(F)(F)F)C(=O)[O-] ZINC000909765201 592826394 /nfs/dbraw/zinc/82/63/94/592826394.db2.gz AJFYCTDOBVFVKJ-VIFPVBQESA-N -1 0 335.282 1.307 20 30 EDEDRM C=CCOC[C@@H](NC(=O)c1cc(N(C)C)c2ccccc2n1)C(=O)[O-] ZINC000909767053 592827573 /nfs/dbraw/zinc/82/75/73/592827573.db2.gz LBSOXHZKHJQUGS-OAHLLOKOSA-N -1 0 343.383 1.686 20 30 EDEDRM C=CCOC[C@H](NC(=O)c1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC000909771900 592829031 /nfs/dbraw/zinc/82/90/31/592829031.db2.gz SZHTWLPGVUJMAK-VIFPVBQESA-N -1 0 329.255 1.394 20 30 EDEDRM C=CCOC[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)nc1)C(=O)[O-] ZINC000909771166 592829149 /nfs/dbraw/zinc/82/91/49/592829149.db2.gz NYSCTBZWRRHFEI-OAHLLOKOSA-N -1 0 347.415 1.704 20 30 EDEDRM C=CCSc1ccccc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000907944310 592853000 /nfs/dbraw/zinc/85/30/00/592853000.db2.gz TYLHPQXTXXAIPQ-UHFFFAOYSA-N -1 0 345.428 1.602 20 30 EDEDRM 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/nfs/dbraw/zinc/73/43/47/592734347.db2.gz KKSULNFEHQGAOG-CYBMUJFWSA-N -1 0 328.315 1.982 20 30 EDEDRM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000906060164 592734360 /nfs/dbraw/zinc/73/43/60/592734360.db2.gz DREWIQSJMRMBQF-YUNKPMOVSA-N -1 0 329.447 1.916 20 30 EDEDRM COCCS(=O)(=O)[N-]c1sc2c(c1C#N)CC[C@H](OC)C2 ZINC000906074125 592742279 /nfs/dbraw/zinc/74/22/79/592742279.db2.gz GATVBGDPFUNVRA-VIFPVBQESA-N -1 0 330.431 1.512 20 30 EDEDRM C#CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)C(=O)[O-] ZINC000910052106 592752445 /nfs/dbraw/zinc/75/24/45/592752445.db2.gz OBOYODJEGROXEL-HOCLYGCPSA-N -1 0 340.379 1.121 20 30 EDEDRM C#CC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC000910053522 592753539 /nfs/dbraw/zinc/75/35/39/592753539.db2.gz BHRUQLVJJRHNRC-GJZGRUSLSA-N -1 0 328.368 1.132 20 30 EDEDRM C#CC[C@H](NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C(=O)[O-] ZINC000910054745 592754037 /nfs/dbraw/zinc/75/40/37/592754037.db2.gz WUSKAGORYKFNJG-VIFPVBQESA-N -1 0 348.252 1.567 20 30 EDEDRM C=CCn1cc(CNC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)nn1 ZINC000907681649 592756176 /nfs/dbraw/zinc/75/61/76/592756176.db2.gz DOIPDPYYYFLKNG-RHSMWYFYSA-N -1 0 326.356 1.339 20 30 EDEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2(n3cccn3)CC2)n1 ZINC000910094413 592763904 /nfs/dbraw/zinc/76/39/04/592763904.db2.gz PVKWYXVDOLCPAT-LLVKDONJSA-N -1 0 330.369 1.557 20 30 EDEDRM C=C(Cl)C[C@H](NC(=O)Cn1nc(C(F)(F)F)cc1C)C(=O)[O-] ZINC000910268136 592814384 /nfs/dbraw/zinc/81/43/84/592814384.db2.gz WCBBNZYQPYBKJS-QMMMGPOBSA-N -1 0 339.701 1.922 20 30 EDEDRM C#CCOc1ccc(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)cc1 ZINC000910617716 592880316 /nfs/dbraw/zinc/88/03/16/592880316.db2.gz CZJASPWQRKIDNW-HVEKOLDVSA-N -1 0 343.379 1.841 20 30 EDEDRM C=CCOc1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1OC ZINC000911639984 592963920 /nfs/dbraw/zinc/96/39/20/592963920.db2.gz RODAQNPDFNWOLH-IUODEOHRSA-N -1 0 335.356 1.310 20 30 EDEDRM C=CC(C)(C)CCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000911359476 593005421 /nfs/dbraw/zinc/00/54/21/593005421.db2.gz ATMILPXKKNERAA-UONOGXRCSA-N -1 0 336.432 1.664 20 30 EDEDRM CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1ccc(C(N)=O)s1 ZINC000787071749 593150438 /nfs/dbraw/zinc/15/04/38/593150438.db2.gz FCWWGUHKCHADLK-LBPRGKRZSA-N -1 0 341.392 1.828 20 30 EDEDRM N#Cc1ccc(C2(C(=O)[N-]S(=O)(=O)C[C@H]3CCCOC3)CC2)cc1 ZINC000803007594 593296710 /nfs/dbraw/zinc/29/67/10/593296710.db2.gz AMXGKIYIGMGCEI-AWEZNQCLSA-N -1 0 348.424 1.462 20 30 EDEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cnn(CCF)c2)cc1 ZINC000808978910 593305519 /nfs/dbraw/zinc/30/55/19/593305519.db2.gz PULFIHKUXADNQJ-OAHLLOKOSA-N -1 0 344.346 1.500 20 30 EDEDRM CC(C)(C)OCCCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000803748668 593361254 /nfs/dbraw/zinc/36/12/54/593361254.db2.gz HCQIPFPTPCRKLL-UHFFFAOYSA-N -1 0 332.360 1.945 20 30 EDEDRM C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000810516632 593408768 /nfs/dbraw/zinc/40/87/68/593408768.db2.gz KUFGYUGKQKFSDQ-UHFFFAOYSA-N -1 0 341.388 1.918 20 30 EDEDRM C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000810519895 593409161 /nfs/dbraw/zinc/40/91/61/593409161.db2.gz XNUNHKYBUNTCER-UHFFFAOYSA-N -1 0 341.388 1.918 20 30 EDEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cn(C2CCOCC2)nn1 ZINC000810526291 593409606 /nfs/dbraw/zinc/40/96/06/593409606.db2.gz BGQUPPUGYJMZTK-CYBMUJFWSA-N -1 0 333.392 1.258 20 30 EDEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1cccc(C#N)n1 ZINC000810708071 593425341 /nfs/dbraw/zinc/42/53/41/593425341.db2.gz KNJUQXHOYZKSSL-CYBMUJFWSA-N -1 0 340.289 1.870 20 30 EDEDRM CC#CCS(=O)(=O)[N-]C(=O)C1(c2ccc(C)c(OC)c2)CCC1 ZINC000810773248 593429236 /nfs/dbraw/zinc/42/92/36/593429236.db2.gz WTVBRKBENFTWOZ-UHFFFAOYSA-N -1 0 335.425 1.895 20 30 EDEDRM CC#CCS(=O)(=O)[N-]C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000810776380 593429731 /nfs/dbraw/zinc/42/97/31/593429731.db2.gz QTTGEKCWHQBIJX-UHFFFAOYSA-N -1 0 339.373 1.256 20 30 EDEDRM CC#CCS(=O)(=O)[N-]C(=O)CCCOc1cccc(C(C)=O)c1 ZINC000810777757 593430069 /nfs/dbraw/zinc/43/00/69/593430069.db2.gz NYVBSWJPPMDFIZ-UHFFFAOYSA-N -1 0 337.397 1.518 20 30 EDEDRM CC#CCS(=O)(=O)[N-]C(=O)CCc1ccc(OC)c(Cl)c1 ZINC000810777267 593430074 /nfs/dbraw/zinc/43/00/74/593430074.db2.gz XWOYYNNNNQRDJZ-UHFFFAOYSA-N -1 0 329.805 1.751 20 30 EDEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000810777176 593430137 /nfs/dbraw/zinc/43/01/37/593430137.db2.gz WEPFRFVPOVMAHB-UHFFFAOYSA-N -1 0 341.339 1.594 20 30 EDEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000810779609 593430455 /nfs/dbraw/zinc/43/04/55/593430455.db2.gz UVHAAVBNFBLJRB-UHFFFAOYSA-N -1 0 337.788 1.813 20 30 EDEDRM C#CCCS(=O)(=O)[N-]C(=O)C1(c2ccc(C)cc2)CCOCC1 ZINC000810784324 593431507 /nfs/dbraw/zinc/43/15/07/593431507.db2.gz ALDZRLQBWWKDHV-UHFFFAOYSA-N -1 0 335.425 1.513 20 30 EDEDRM CS(=O)(=O)[N-]c1ccccc1C(=O)OCCCSCC#N ZINC000805360422 593439528 /nfs/dbraw/zinc/43/95/28/593439528.db2.gz GISKVICCZRSDDP-UHFFFAOYSA-N -1 0 328.415 1.862 20 30 EDEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000810980465 593444223 /nfs/dbraw/zinc/44/42/23/593444223.db2.gz ZDSXAMGBLSISHR-UHFFFAOYSA-N -1 0 339.373 1.805 20 30 EDEDRM O=C(C[n+]1ccccc1)N=NC1=c2ccc(=C([O-])[O-])cc2CCCC1 ZINC000811629990 593475355 /nfs/dbraw/zinc/47/53/55/593475355.db2.gz ORTLGGRCKYDCIJ-UHFFFAOYSA-O -1 0 338.387 1.669 20 30 EDEDRM N#Cc1ccc(CS(=O)(=O)CC(=O)[N-]OC/C=C\Cl)cc1 ZINC000812401493 593500804 /nfs/dbraw/zinc/50/08/04/593500804.db2.gz LXOZGCKKVOARRM-BHQIHCQQSA-N -1 0 328.777 1.273 20 30 EDEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(N2CCC[C@H](C)C2)c1 ZINC000813093769 593516953 /nfs/dbraw/zinc/51/69/53/593516953.db2.gz FFDJPIQHNRRHPM-ZDUSSCGKSA-N -1 0 335.429 1.401 20 30 EDEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C#N)cn2C)c(F)c1F ZINC000813197329 593522388 /nfs/dbraw/zinc/52/23/88/593522388.db2.gz FANJAPISSMRXMN-UHFFFAOYSA-N -1 0 339.323 1.602 20 30 EDEDRM CC(C)c1ncc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)s1 ZINC000813979521 593565525 /nfs/dbraw/zinc/56/55/25/593565525.db2.gz UCCQMWOXBVHAQU-UHFFFAOYSA-N -1 0 336.398 1.652 20 30 EDEDRM C[C@@H](Cc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813983278 593565942 /nfs/dbraw/zinc/56/59/42/593565942.db2.gz OLYHGFJPQXLZBK-NSHDSACASA-N -1 0 347.371 1.776 20 30 EDEDRM N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2cccnc2C2CC2)c1 ZINC000813984913 593566621 /nfs/dbraw/zinc/56/66/21/593566621.db2.gz GMUNYJVRPOWTBM-UHFFFAOYSA-N -1 0 328.353 1.344 20 30 EDEDRM Cc1nn(C(C)(C)C)cc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813985068 593566624 /nfs/dbraw/zinc/56/66/24/593566624.db2.gz METXFIFPVDITJQ-UHFFFAOYSA-N -1 0 347.400 1.332 20 30 EDEDRM CCCCCCC[C@H](C)CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000817105997 593570367 /nfs/dbraw/zinc/57/03/67/593570367.db2.gz CBYYSMCGSDBLAP-KBPBESRZSA-N -1 0 342.436 1.411 20 30 EDEDRM CC(=NNc1nc2c(cnn2C)c(=O)[nH]1)c1cc(C(=O)[O-])cs1 ZINC000814847797 593604886 /nfs/dbraw/zinc/60/48/86/593604886.db2.gz DQLBYZNAZYFTSC-UHFFFAOYSA-N -1 0 332.345 1.665 20 30 EDEDRM COc1cccc2c1[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC2 ZINC000816005698 593667650 /nfs/dbraw/zinc/66/76/50/593667650.db2.gz WJKSTVVOAPPYCS-GFCCVEGCSA-N -1 0 336.413 1.721 20 30 EDEDRM C#CCN(C1CCCC1)S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000819697341 593763869 /nfs/dbraw/zinc/76/38/69/593763869.db2.gz BADVEVSYWRRLLQ-UHFFFAOYSA-N -1 0 345.428 1.742 20 30 EDEDRM C=CCS(=O)(=O)CCNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000819720017 593765173 /nfs/dbraw/zinc/76/51/73/593765173.db2.gz DNDVGZLIJDOQBC-UHFFFAOYSA-N -1 0 326.374 1.036 20 30 EDEDRM CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000819788362 593769149 /nfs/dbraw/zinc/76/91/49/593769149.db2.gz CDWDDVNMYRGDJK-QGHHPUGFSA-N -1 0 346.339 1.764 20 30 EDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000819811676 593770713 /nfs/dbraw/zinc/77/07/13/593770713.db2.gz UJFGOQUEXWJNMI-SJCJKPOMSA-N -1 0 341.371 1.440 20 30 EDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000819821884 593770965 /nfs/dbraw/zinc/77/09/65/593770965.db2.gz KCBGJRVMXFOLNJ-MRXNPFEDSA-N -1 0 335.791 1.993 20 30 EDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1ccn(-c2ccccc2)n1 ZINC000819841781 593771678 /nfs/dbraw/zinc/77/16/78/593771678.db2.gz DDOMMFBKZVWLQF-QGZVFWFLSA-N -1 0 326.356 1.536 20 30 EDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000819846392 593772055 /nfs/dbraw/zinc/77/20/55/593772055.db2.gz CFJIRELGKGSEIY-OAHLLOKOSA-N -1 0 330.369 1.826 20 30 EDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000819855841 593772248 /nfs/dbraw/zinc/77/22/48/593772248.db2.gz DJABFUQVRJBOQU-MRXNPFEDSA-N -1 0 330.344 1.549 20 30 EDEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000820113997 593792439 /nfs/dbraw/zinc/79/24/39/593792439.db2.gz JJWYEVWSDCLUPW-QGHHPUGFSA-N -1 0 329.356 1.753 20 30 EDEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000820115641 593792550 /nfs/dbraw/zinc/79/25/50/593792550.db2.gz YMHVDMARVPLGNQ-APPDUMDISA-N -1 0 342.355 1.842 20 30 EDEDRM CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000820517486 593825462 /nfs/dbraw/zinc/82/54/62/593825462.db2.gz IVKGGTZZTYFORH-BZNIZROVSA-N -1 0 339.392 1.459 20 30 EDEDRM C[C@H](C(=O)Nc1cnn(CC#N)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823722254 593842178 /nfs/dbraw/zinc/84/21/78/593842178.db2.gz CNGCHXXFMTZPTE-SMDDNHRTSA-N -1 0 327.344 1.990 20 30 EDEDRM COc1ccc(C(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)CCC#N)cc1 ZINC000821583865 593869073 /nfs/dbraw/zinc/86/90/73/593869073.db2.gz JVRCIJWPIMESRF-NSHDSACASA-N -1 0 338.385 1.264 20 30 EDEDRM C=CCSCCN[C@@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 ZINC000823937138 593890658 /nfs/dbraw/zinc/89/06/58/593890658.db2.gz JSHOXNVFPSDWAV-CYBMUJFWSA-N -1 0 333.417 1.590 20 30 EDEDRM COc1ccc(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)cc1 ZINC000820841141 593903226 /nfs/dbraw/zinc/90/32/26/593903226.db2.gz JJEZEGKCQLIEDC-QGZVFWFLSA-N -1 0 331.372 1.348 20 30 EDEDRM N#CCCS(=O)(=O)[N-]C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000821047992 593952777 /nfs/dbraw/zinc/95/27/77/593952777.db2.gz ZPRHLWRKUWUWAE-TVUZUIDESA-N -1 0 338.351 1.961 20 30 EDEDRM Cc1ccccc1CNC(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821125616 593971933 /nfs/dbraw/zinc/97/19/33/593971933.db2.gz SNPROXVGHRJWQM-YVEFUNNKSA-N -1 0 332.356 1.548 20 30 EDEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cnc3cc(OC)ccn32)CC1 ZINC000821133272 593973990 /nfs/dbraw/zinc/97/39/90/593973990.db2.gz DGISPGOELARCPD-UHFFFAOYSA-N -1 0 335.385 1.511 20 30 EDEDRM Cc1ncc(CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)s1 ZINC000821190152 593986194 /nfs/dbraw/zinc/98/61/94/593986194.db2.gz KWRWPEQMAXRPCF-OAHLLOKOSA-N -1 0 336.417 1.100 20 30 EDEDRM N#CCOc1cccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000821324700 594017022 /nfs/dbraw/zinc/01/70/22/594017022.db2.gz LEAOAWDVZOJKMY-KRWDZBQOSA-N -1 0 338.363 1.944 20 30 EDEDRM C[C@@H](CC(=O)N1CCCN(c2ccccc2C#N)CC1)NC(=O)[O-] ZINC000824591124 594044093 /nfs/dbraw/zinc/04/40/93/594044093.db2.gz NOJQCRWORGWCIU-ZDUSSCGKSA-N -1 0 330.388 1.643 20 30 EDEDRM C[C@H](CC(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1)NC(=O)[O-] ZINC000824718630 594061503 /nfs/dbraw/zinc/06/15/03/594061503.db2.gz IHALOGTWVSZNHL-MNOVXSKESA-N -1 0 325.365 1.307 20 30 EDEDRM C[C@@H](CC(=O)OCC(=O)N(C)C1(C#N)CCCCC1)NC(=O)[O-] ZINC000824723119 594062268 /nfs/dbraw/zinc/06/22/68/594062268.db2.gz YTXXJDXNBPYKFL-NSHDSACASA-N -1 0 325.365 1.261 20 30 EDEDRM CC(C)Cn1[n-]c(CC(=O)NCCc2ccc(C#N)cc2)cc1=O ZINC000824728076 594062980 /nfs/dbraw/zinc/06/29/80/594062980.db2.gz LBPLLFUUBASVSH-UHFFFAOYSA-N -1 0 326.400 1.605 20 30 EDEDRM C[C@H](NC(=O)[O-])[C@H]1CN(c2c(C#N)nnc3ccccc32)CCO1 ZINC000825372681 594174995 /nfs/dbraw/zinc/17/49/95/594174995.db2.gz QHIJBSCFPUCDIV-IINYFYTJSA-N -1 0 327.344 1.363 20 30 EDEDRM C#CCCCCNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000823440712 594202423 /nfs/dbraw/zinc/20/24/23/594202423.db2.gz FUAUTHWWXNLWQE-UHFFFAOYSA-N -1 0 329.356 1.585 20 30 EDEDRM C[C@@H](OC(=O)C[C@H]1CCCN1C(=O)[O-])C(=O)Nc1ccccc1C#N ZINC000825580785 594203276 /nfs/dbraw/zinc/20/32/76/594203276.db2.gz XIJQRBJOQNLJBT-DGCLKSJQSA-N -1 0 345.355 1.961 20 30 EDEDRM C#CCN1CCN(C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000823450687 594203435 /nfs/dbraw/zinc/20/34/35/594203435.db2.gz GAMIKDQTZJEODY-ZBFHGGJFSA-N -1 0 329.400 1.409 20 30 EDEDRM C#CCOc1ccccc1CNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000823466678 594205496 /nfs/dbraw/zinc/20/54/96/594205496.db2.gz GPSAMWWYCUDEIF-ZFWWWQNUSA-N -1 0 345.399 1.934 20 30 EDEDRM C#CCOc1cccc(NC(=O)CN2CCC(NC(=O)[O-])CC2)c1 ZINC000823467271 594205937 /nfs/dbraw/zinc/20/59/37/594205937.db2.gz SZKGBEHQMBPBTB-UHFFFAOYSA-N -1 0 331.372 1.369 20 30 EDEDRM C#CCOc1ccccc1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000825632012 594209216 /nfs/dbraw/zinc/20/92/16/594209216.db2.gz QQHSLLPOGQQSEI-UHFFFAOYSA-N -1 0 334.353 1.203 20 30 EDEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000825631264 594209237 /nfs/dbraw/zinc/20/92/37/594209237.db2.gz ABFISULPAMZMPI-LBPRGKRZSA-N -1 0 336.319 1.545 20 30 EDEDRM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000825654030 594211422 /nfs/dbraw/zinc/21/14/22/594211422.db2.gz ZUHSILGJQDSJMR-LLVKDONJSA-N -1 0 342.351 1.932 20 30 EDEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000825681542 594213873 /nfs/dbraw/zinc/21/38/73/594213873.db2.gz APAAQNJPSLHKAX-GFCCVEGCSA-N -1 0 327.402 1.734 20 30 EDEDRM O=S(=O)(NN=Cc1ccc(-c2nn[nH]n2)s1)c1ccccc1 ZINC000823583165 594219124 /nfs/dbraw/zinc/21/91/24/594219124.db2.gz JVDNFRWMJVIRAJ-UHFFFAOYSA-N -1 0 334.386 1.241 20 30 EDEDRM CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1 ZINC000823640303 594223900 /nfs/dbraw/zinc/22/39/00/594223900.db2.gz AVCIIOZTWZNSBY-JSGCOSHPSA-N -1 0 345.355 1.371 20 30 EDEDRM C[C@H](C(=O)[C@@H](C#N)C(=O)N1CCCC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823646479 594224447 /nfs/dbraw/zinc/22/44/47/594224447.db2.gz COBPEAQDNQEDQT-CFVMTHIKSA-N -1 0 343.383 1.963 20 30 EDEDRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N(C)C1(C#N)CCCCC1 ZINC000827538382 594227387 /nfs/dbraw/zinc/22/73/87/594227387.db2.gz DLMNWFVINYMYLO-NSHDSACASA-N -1 0 325.365 1.261 20 30 EDEDRM CCN(CCC#N)C(=O)CNc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000829692306 594241044 /nfs/dbraw/zinc/24/10/44/594241044.db2.gz FSFBADUWTMSDMS-UHFFFAOYSA-N -1 0 333.344 1.345 20 30 EDEDRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000825846502 594260860 /nfs/dbraw/zinc/26/08/60/594260860.db2.gz VSCHIYHDTXMOEL-ONGXEEELSA-N -1 0 341.364 1.507 20 30 EDEDRM Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000829839911 594274395 /nfs/dbraw/zinc/27/43/95/594274395.db2.gz SLJGSBAXODVAMC-QWRGUYRKSA-N -1 0 344.371 1.404 20 30 EDEDRM CN(C(=O)COC(=O)CN(C(=O)[O-])c1ccccc1)C(C)(C)C#N ZINC000827774313 594275776 /nfs/dbraw/zinc/27/57/76/594275776.db2.gz IWWQSVKQZGSQIV-UHFFFAOYSA-N -1 0 333.344 1.475 20 30 EDEDRM CN(C(=O)[O-])[C@@H]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000827822135 594284372 /nfs/dbraw/zinc/28/43/72/594284372.db2.gz HFFUQLYJZWDWOQ-CHWSQXEVSA-N -1 0 348.428 1.799 20 30 EDEDRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000827830269 594286190 /nfs/dbraw/zinc/28/61/90/594286190.db2.gz TWTYHHANMHJXEU-CYBMUJFWSA-N -1 0 331.372 1.926 20 30 EDEDRM C[C@](C#N)(NC(=O)COC(=O)c1ccc(NC(=O)[O-])c(O)c1)C1CC1 ZINC000825966612 594293417 /nfs/dbraw/zinc/29/34/17/594293417.db2.gz IBRZOGWCVMDMHS-MRXNPFEDSA-N -1 0 347.327 1.447 20 30 EDEDRM Cc1cc(F)c(S(=O)(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1F ZINC000830055466 594326084 /nfs/dbraw/zinc/32/60/84/594326084.db2.gz SFEWESMYQNVTLI-SECBINFHSA-N -1 0 345.327 1.150 20 30 EDEDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000826115551 594336343 /nfs/dbraw/zinc/33/63/43/594336343.db2.gz IBIXYSIHCXFBSX-SMDDNHRTSA-N -1 0 331.372 1.720 20 30 EDEDRM CCS(=O)(=O)c1ccc2oc(CN(CC#N)CC(=O)[O-])nc2c1 ZINC000830140237 594343955 /nfs/dbraw/zinc/34/39/55/594343955.db2.gz HGPSDRKIIIKDKB-UHFFFAOYSA-N -1 0 337.357 1.032 20 30 EDEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cn(C3CCC3)nn2)n1 ZINC000830230002 594359031 /nfs/dbraw/zinc/35/90/31/594359031.db2.gz OSKOHVRKKHQJEK-NSHDSACASA-N -1 0 345.384 1.801 20 30 EDEDRM Cc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc(C)c1F ZINC000826261146 594402069 /nfs/dbraw/zinc/40/20/69/594402069.db2.gz SMSZGUUOZGPAOH-UHFFFAOYSA-N -1 0 326.295 1.470 20 30 EDEDRM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)c1C#N ZINC000830511845 594409893 /nfs/dbraw/zinc/40/98/93/594409893.db2.gz MPBGUMBQZLZXBM-LLVKDONJSA-N -1 0 330.344 1.016 20 30 EDEDRM Cc1ccc2c(n1)c(=O)c(-c1nnn[n-]1)cn2Cc1ccnc(C#N)c1 ZINC000826294746 594413632 /nfs/dbraw/zinc/41/36/32/594413632.db2.gz AUAFAUXUQKQOBM-UHFFFAOYSA-N -1 0 344.338 1.200 20 30 EDEDRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1 ZINC000826316137 594421242 /nfs/dbraw/zinc/42/12/42/594421242.db2.gz DSKRPMVKQQIBOB-YUMQZZPRSA-N -1 0 340.372 1.574 20 30 EDEDRM C[C@H]1CN(Cc2nc3ccccc3c(=O)n2CC#N)C[C@H]1C(=O)[O-] ZINC000828462250 594427586 /nfs/dbraw/zinc/42/75/86/594427586.db2.gz IOWKYRKOTDOWPN-WCQYABFASA-N -1 0 326.356 1.073 20 30 EDEDRM COC(=O)[C@@H](OC(=O)CC1CN(C(=O)[O-])C1)c1cccc(C#N)c1 ZINC000828614175 594463789 /nfs/dbraw/zinc/46/37/89/594463789.db2.gz ZPPZBUSXNRBZGL-AWEZNQCLSA-N -1 0 332.312 1.315 20 30 EDEDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc(C#N)ccc2F)C1 ZINC000830794870 594478680 /nfs/dbraw/zinc/47/86/80/594478680.db2.gz DNANWVUGKRWJBA-CQSZACIVSA-N -1 0 343.280 1.980 20 30 EDEDRM Cc1oc(NC(=O)COC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)c(C#N)c1C ZINC000830942881 594519744 /nfs/dbraw/zinc/51/97/44/594519744.db2.gz QRHMRJXYZCDLFD-INIZCTEOSA-N -1 0 349.343 1.640 20 30 EDEDRM Cc1sc(NC(=O)CN2CCC(NC(=O)[O-])CC2)c(C#N)c1C ZINC000830956339 594523956 /nfs/dbraw/zinc/52/39/56/594523956.db2.gz HHKKIOLJLJFGMF-UHFFFAOYSA-N -1 0 336.417 1.907 20 30 EDEDRM C[C@@H]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@@H]1C(=O)[O-] ZINC000831016453 594538703 /nfs/dbraw/zinc/53/87/03/594538703.db2.gz MRRLPSLTLWWOKU-DOMZBBRYSA-N -1 0 331.372 1.841 20 30 EDEDRM N#C[C@@H](NC(=O)C[C@@H]1CSCCN1C(=O)[O-])c1ccc(F)cc1 ZINC000831070003 594548365 /nfs/dbraw/zinc/54/83/65/594548365.db2.gz BYCIKFZLBVCSPO-CHWSQXEVSA-N -1 0 337.376 1.992 20 30 EDEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000831082212 594551187 /nfs/dbraw/zinc/55/11/87/594551187.db2.gz IXMQPKPOFQMJHW-HNNXBMFYSA-N -1 0 339.355 1.129 20 30 EDEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000831083321 594551467 /nfs/dbraw/zinc/55/14/67/594551467.db2.gz ZEGZJTOQXGUTAG-GFCCVEGCSA-N -1 0 330.319 1.564 20 30 EDEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000831086114 594552287 /nfs/dbraw/zinc/55/22/87/594552287.db2.gz BXRNOQCYWWEHFN-SNVBAGLBSA-N -1 0 344.302 1.407 20 30 EDEDRM N#CCN1CCC(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000831097540 594555656 /nfs/dbraw/zinc/55/56/56/594555656.db2.gz KLAPGRUAAFOXNR-MRXNPFEDSA-N -1 0 344.415 1.217 20 30 EDEDRM COC(=O)C1C(=CC(=O)[O-])NC(=S)N[C@H]1c1ccc(C#N)s1 ZINC000831100301 594556566 /nfs/dbraw/zinc/55/65/66/594556566.db2.gz MSQGFOORFOKMLK-NSHDSACASA-N -1 0 337.382 1.040 20 30 EDEDRM N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000831118098 594560990 /nfs/dbraw/zinc/56/09/90/594560990.db2.gz MHFKFQWKJWWFCS-GFCCVEGCSA-N -1 0 348.334 1.285 20 30 EDEDRM N#Cc1ccc(-c2nnc(COC(=O)CCCNC(=O)[O-])o2)cc1 ZINC000831123069 594562197 /nfs/dbraw/zinc/56/21/97/594562197.db2.gz ZRPQJLFZHIXTAA-UHFFFAOYSA-N -1 0 330.300 1.699 20 30 EDEDRM N#Cc1ccc(-c2nnc(COC(=O)[C@H]3CCN(C(=O)[O-])C3)o2)cc1 ZINC000831122522 594562430 /nfs/dbraw/zinc/56/24/30/594562430.db2.gz KKEFKMUAKGQLFP-LBPRGKRZSA-N -1 0 342.311 1.651 20 30 EDEDRM N#Cc1ccc(CNC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])c(F)c1 ZINC000831126403 594563414 /nfs/dbraw/zinc/56/34/14/594563414.db2.gz CUZNZSIOZKJANX-JSGCOSHPSA-N -1 0 334.351 1.933 20 30 EDEDRM N#Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000831142403 594567480 /nfs/dbraw/zinc/56/74/80/594567480.db2.gz XYXMMYXZFOPGBG-HNNXBMFYSA-N -1 0 345.380 1.845 20 30 EDEDRM N#Cc1ccc(OCCNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000831142170 594567519 /nfs/dbraw/zinc/56/75/19/594567519.db2.gz SJXROZZEISRGKO-ZDUSSCGKSA-N -1 0 332.360 1.379 20 30 EDEDRM 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C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2c(CC)nn(C)c2CC)C1 ZINC000906006765 592715837 /nfs/dbraw/zinc/71/58/37/592715837.db2.gz HZUXWDXYBGDMNJ-UHFFFAOYSA-N -1 0 341.433 1.196 20 30 EDEDRM C=CCOC[C@H](NC(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1)C(=O)[O-] ZINC000909106906 592739015 /nfs/dbraw/zinc/73/90/15/592739015.db2.gz HMJXSPZJCGBTKX-RDBSUJKOSA-N -1 0 328.409 1.535 20 30 EDEDRM C#CC[C@H](NC(=O)Cc1nnn(-c2ccc(C)cc2)c1C)C(=O)[O-] ZINC000910053217 592753106 /nfs/dbraw/zinc/75/31/06/592753106.db2.gz PCRPYYHNIDMUFU-AWEZNQCLSA-N -1 0 326.356 1.019 20 30 EDEDRM C#CC[C@@H](NC(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F)C(=O)[O-] ZINC000910054059 592753541 /nfs/dbraw/zinc/75/35/41/592753541.db2.gz IMGDTRCMBWJZQL-CHWSQXEVSA-N -1 0 338.310 1.125 20 30 EDEDRM C#CC[C@@H](NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C(=O)[O-] ZINC000910054736 592753832 /nfs/dbraw/zinc/75/38/32/592753832.db2.gz WUSKAGORYKFNJG-SECBINFHSA-N -1 0 348.252 1.567 20 30 EDEDRM C#CC[C@H](NC(=O)Cc1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000910045758 592757445 /nfs/dbraw/zinc/75/74/45/592757445.db2.gz GNXQPOYTBWKQKG-LBPRGKRZSA-N -1 0 329.274 1.763 20 30 EDEDRM C#CC[C@@H](NC(=O)[C@@H](OC1CCOCC1)c1ccccc1)C(=O)[O-] ZINC000910047919 592758141 /nfs/dbraw/zinc/75/81/41/592758141.db2.gz AEMHMOMPPVGNBD-CVEARBPZSA-N -1 0 331.368 1.516 20 30 EDEDRM C=CCc1ccc(OCC(=O)N[C@H](CSC)C(=O)[O-])c(OC)c1 ZINC000910888277 592900726 /nfs/dbraw/zinc/90/07/26/592900726.db2.gz RDCZXPURSBKHHU-GFCCVEGCSA-N -1 0 339.413 1.735 20 30 EDEDRM C=CCCC[C@H](NC(=O)c1cn(Cc2cccs2)nn1)C(=O)[O-] ZINC000910913771 592902619 /nfs/dbraw/zinc/90/26/19/592902619.db2.gz CDQYOOOIASAWCO-LBPRGKRZSA-N -1 0 334.401 1.927 20 30 EDEDRM C=CCCC[C@H](NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-] ZINC000910917540 592902920 /nfs/dbraw/zinc/90/29/20/592902920.db2.gz CLADRRBIADEQMR-PGUXBMHVSA-N -1 0 326.418 1.366 20 30 EDEDRM C=CCN1C(=O)N[C@H](c2cn(-c3ccccc3)nn2)C(C(=O)[O-])=C1C ZINC000736107495 592989004 /nfs/dbraw/zinc/98/90/04/592989004.db2.gz XIKOHOVIRPSGQS-OAHLLOKOSA-N -1 0 339.355 1.878 20 30 EDEDRM CSc1[n-]c(=O)c(C(=O)N2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)cc1C#N ZINC000912009431 593046934 /nfs/dbraw/zinc/04/69/34/593046934.db2.gz SKZBYLYVGPUCOR-IVZWLZJFSA-N -1 0 348.428 1.460 20 30 EDEDRM C=C(Cl)C[C@H](NS(=O)(=O)c1ccccc1[O-])C(=O)OCC ZINC000867589114 593108298 /nfs/dbraw/zinc/10/82/98/593108298.db2.gz MBIWKRMDTPZCJA-JTQLQIEISA-N -1 0 333.793 1.745 20 30 EDEDRM N#CCNC(=O)CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807552261 593180430 /nfs/dbraw/zinc/18/04/30/593180430.db2.gz SQTOHBKASXDLMZ-UHFFFAOYSA-N -1 0 331.159 1.138 20 30 EDEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c(F)c1 ZINC000739670664 593221514 /nfs/dbraw/zinc/22/15/14/593221514.db2.gz NJDITWDTJNJHLG-UHFFFAOYSA-N -1 0 336.304 1.989 20 30 EDEDRM COc1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)nc1 ZINC000838852570 593225724 /nfs/dbraw/zinc/22/57/24/593225724.db2.gz DYJFOHAYYMKVKY-UHFFFAOYSA-N -1 0 337.401 1.163 20 30 EDEDRM N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803007575 593296713 /nfs/dbraw/zinc/29/67/13/593296713.db2.gz ZZISYUFVLRGWEP-CYBMUJFWSA-N -1 0 336.413 1.168 20 30 EDEDRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)c1 ZINC000810516758 593408698 /nfs/dbraw/zinc/40/86/98/593408698.db2.gz GONQMRDEVLFODD-UHFFFAOYSA-N -1 0 347.352 1.089 20 30 EDEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000810556791 593411605 /nfs/dbraw/zinc/41/16/05/593411605.db2.gz AWCXKJNDVVJNBH-UHFFFAOYSA-N -1 0 339.804 1.842 20 30 EDEDRM Cc1cc(C(F)(F)F)nn1CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000810636372 593418948 /nfs/dbraw/zinc/41/89/48/593418948.db2.gz SGKIDEWHZPBNGY-VIFPVBQESA-N -1 0 339.277 1.536 20 30 EDEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)c1cccc(F)c1 ZINC000810775068 593429480 /nfs/dbraw/zinc/42/94/80/593429480.db2.gz UAVQWNCUMGARBR-NSHDSACASA-N -1 0 325.361 1.504 20 30 EDEDRM CC#CCS(=O)(=O)[N-]C(=O)CCNc1cc(Cl)ccc1OC ZINC000810775635 593429729 /nfs/dbraw/zinc/42/97/29/593429729.db2.gz NWXFICKJVHYWQX-UHFFFAOYSA-N -1 0 344.820 1.620 20 30 EDEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cc(NC(C)=O)ccc1Cl ZINC000810779289 593430373 /nfs/dbraw/zinc/43/03/73/593430373.db2.gz HGULMVBWBFPBQY-UHFFFAOYSA-N -1 0 328.777 1.381 20 30 EDEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)nc2onc(C(C)C)c21 ZINC000810785097 593431778 /nfs/dbraw/zinc/43/17/78/593431778.db2.gz WVCGYCHHIYTQLL-UHFFFAOYSA-N -1 0 335.385 1.738 20 30 EDEDRM N#Cc1cccc(C(=O)[N-]S(=O)(=O)CCc2cccc(Cl)c2)n1 ZINC000810875717 593436675 /nfs/dbraw/zinc/43/66/75/593436675.db2.gz NWBUPQHEZQEEMP-UHFFFAOYSA-N -1 0 349.799 1.909 20 30 EDEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2c(C)nn(CC(F)F)c2C)CC1 ZINC000810984149 593444569 /nfs/dbraw/zinc/44/45/69/593444569.db2.gz TUOZHSMOMMKYHR-UHFFFAOYSA-N -1 0 347.387 1.933 20 30 EDEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CSc2nncn2C(C)C)CC1 ZINC000810987813 593444829 /nfs/dbraw/zinc/44/48/29/593444829.db2.gz AQVHUGYYWXNTLX-UHFFFAOYSA-N -1 0 344.462 1.506 20 30 EDEDRM N#Cc1nc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)[n-]c1C#N ZINC000806433572 593445463 /nfs/dbraw/zinc/44/54/63/593445463.db2.gz NHDSOUMOKXFBST-ZDUSSCGKSA-N -1 0 342.265 1.563 20 30 EDEDRM Cc1nn(C)c2sc(C(=O)/C=C/c3cn(CC(=O)[O-])nn3)cc12 ZINC000806578536 593458426 /nfs/dbraw/zinc/45/84/26/593458426.db2.gz HPXUULHMIIBBCT-ONEGZZNKSA-N -1 0 331.357 1.515 20 30 EDEDRM COC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000813088649 593516674 /nfs/dbraw/zinc/51/66/74/593516674.db2.gz YMOBZYFSVTUDOL-UWVGGRQHSA-N -1 0 328.365 1.421 20 30 EDEDRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)o2)c(C(F)(F)F)n1 ZINC000816293052 593516969 /nfs/dbraw/zinc/51/69/69/593516969.db2.gz OTGXDQRXHBKMHY-UHFFFAOYSA-N -1 0 348.262 1.022 20 30 EDEDRM N#Cc1cncc(S(=O)(=O)[N-]C(=O)Cc2ccccc2Cl)c1 ZINC000813981545 593565792 /nfs/dbraw/zinc/56/57/92/593565792.db2.gz QLOVWNDKTNLYFB-UHFFFAOYSA-N -1 0 335.772 1.654 20 30 EDEDRM C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)[C@H]1c1ccccc1 ZINC000813982496 593566057 /nfs/dbraw/zinc/56/60/57/593566057.db2.gz LDNVNWQWKWBNED-IUIKQTSFSA-N -1 0 341.392 1.808 20 30 EDEDRM Cc1nnc([S-])n(N=Cc2ccccc2-c2ccnn2C)c1=O ZINC000814213568 593578888 /nfs/dbraw/zinc/57/88/88/593578888.db2.gz NZRXPQBGHKKVPD-UHFFFAOYSA-N -1 0 326.385 1.518 20 30 EDEDRM COC(=O)c1ccccc1-c1ccc(C=Nn2c(=O)[n-][nH]c2=O)o1 ZINC000814232816 593579888 /nfs/dbraw/zinc/57/98/88/593579888.db2.gz NFMYICZNDZVJMJ-UHFFFAOYSA-N -1 0 328.284 1.618 20 30 EDEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)NCCc1ccccn1 ZINC000814828379 593604553 /nfs/dbraw/zinc/60/45/53/593604553.db2.gz ZXFWTASXQCQAEI-VXGBXAGGSA-N -1 0 334.445 1.965 20 30 EDEDRM C[C@H]1C(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814843202 593604692 /nfs/dbraw/zinc/60/46/92/593604692.db2.gz OGHOVPCVZLMEDU-IONNQARKSA-N -1 0 332.364 1.357 20 30 EDEDRM C[C@@H]1CC(N=Nc2nccc(N3CCOCC3)n2)CC[C@H]1C(=O)[O-] ZINC000814871427 593605734 /nfs/dbraw/zinc/60/57/34/593605734.db2.gz SDLRVUPORRCSFG-DGCLKSJQSA-N -1 0 333.392 1.602 20 30 EDEDRM CC(=NNCC(=O)[O-])c1cc2c(cc1Br)NC(=O)CO2 ZINC000814960941 593607931 /nfs/dbraw/zinc/60/79/31/593607931.db2.gz ZCSMBZUPBHZVJE-UHFFFAOYSA-N -1 0 342.149 1.178 20 30 EDEDRM CNC(=O)C(C#N)=C([O-])c1nn(-c2cc(C)ccc2F)c2c1CCC2 ZINC000817711849 593625768 /nfs/dbraw/zinc/62/57/68/593625768.db2.gz GCBNGNOJVRBKSN-GFCCVEGCSA-N -1 0 340.358 1.877 20 30 EDEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000817874380 593643387 /nfs/dbraw/zinc/64/33/87/593643387.db2.gz VZADPTXRFUJAKC-OCCSQVGLSA-N -1 0 331.372 1.841 20 30 EDEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)c1 ZINC000815877829 593659054 /nfs/dbraw/zinc/65/90/54/593659054.db2.gz IZNLYZNXYUGEJV-UHFFFAOYSA-N -1 0 336.307 1.198 20 30 EDEDRM CC(=O)c1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cs1 ZINC000816026433 593669210 /nfs/dbraw/zinc/66/92/10/593669210.db2.gz RYWXRUGFUQDIDT-UHFFFAOYSA-N -1 0 326.399 1.704 20 30 EDEDRM CCn1nc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)n1 ZINC000816037579 593670196 /nfs/dbraw/zinc/67/01/96/593670196.db2.gz ROVJBDQUYFBTEO-AWEZNQCLSA-N -1 0 325.372 1.554 20 30 EDEDRM N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)Cc1ccoc1 ZINC000816128931 593675606 /nfs/dbraw/zinc/67/56/06/593675606.db2.gz CFMQGIBLKLUSHC-UHFFFAOYSA-N -1 0 335.297 1.107 20 30 EDEDRM N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000819100340 593738758 /nfs/dbraw/zinc/73/87/58/593738758.db2.gz DPZQWFDVWKYEJK-UHFFFAOYSA-N -1 0 337.335 1.440 20 30 EDEDRM COC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000819100375 593738899 /nfs/dbraw/zinc/73/88/99/593738899.db2.gz NUJXMONXZUPPCQ-UHFFFAOYSA-N -1 0 344.433 1.356 20 30 EDEDRM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])c1C ZINC000819796901 593769541 /nfs/dbraw/zinc/76/95/41/593769541.db2.gz OVIQHLDXDSFMCM-GTNSWQLSSA-N -1 0 348.355 1.953 20 30 EDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000819811538 593770673 /nfs/dbraw/zinc/77/06/73/593770673.db2.gz QNMUMSPMMVRPMH-BMIGLBTASA-N -1 0 347.331 1.007 20 30 EDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000819811917 593770747 /nfs/dbraw/zinc/77/07/47/593770747.db2.gz XGTMBGLLYFKNQP-GOSISDBHSA-N -1 0 343.383 1.412 20 30 EDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000819835715 593771526 /nfs/dbraw/zinc/77/15/26/593771526.db2.gz XEDNXGWMTJCAHA-MRXNPFEDSA-N -1 0 337.420 1.142 20 30 EDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000819835261 593771621 /nfs/dbraw/zinc/77/16/21/593771621.db2.gz UOHPXVCDJUPUEG-AWEZNQCLSA-N -1 0 349.353 1.772 20 30 EDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000819842349 593771745 /nfs/dbraw/zinc/77/17/45/593771745.db2.gz NKFDOCZWXQDQOH-SFHVURJKSA-N -1 0 345.399 1.140 20 30 EDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(N2CCC(O)CC2)cc1 ZINC000819856007 593772207 /nfs/dbraw/zinc/77/22/07/593772207.db2.gz FHKPFZRSJOIHJW-QGZVFWFLSA-N -1 0 331.372 1.591 20 30 EDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000819866284 593772570 /nfs/dbraw/zinc/77/25/70/593772570.db2.gz UQLXKPSYSPUIAX-GUYCJALGSA-N -1 0 341.323 1.211 20 30 EDEDRM COc1ncc(C([O-])=C(C#N)C(=O)NC2CC2)cc1Br ZINC000819944961 593778740 /nfs/dbraw/zinc/77/87/40/593778740.db2.gz QGOKRDMNGJGCTH-VIFPVBQESA-N -1 0 338.161 1.454 20 30 EDEDRM CC(C)Oc1cccc([C@@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC000820032711 593784779 /nfs/dbraw/zinc/78/47/79/593784779.db2.gz DLEIZHUHJZSZGX-YOEHRIQHSA-N -1 0 334.372 1.628 20 30 EDEDRM C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1nc(-c2cccnc2)no1 ZINC000820161521 593796269 /nfs/dbraw/zinc/79/62/69/593796269.db2.gz PXMHECINCQBEMR-VFZGTOFNSA-N -1 0 330.300 1.740 20 30 EDEDRM C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000820161048 593796322 /nfs/dbraw/zinc/79/63/22/593796322.db2.gz LUUVISUMDBPWJH-BXIMHZBSSA-N -1 0 338.404 1.864 20 30 EDEDRM C[C@H]1CN(c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)CCO1 ZINC000820251861 593803225 /nfs/dbraw/zinc/80/32/25/593803225.db2.gz OCAIBCSTDKNMKW-SJCJKPOMSA-N -1 0 331.372 1.855 20 30 EDEDRM CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000820517487 593825450 /nfs/dbraw/zinc/82/54/50/593825450.db2.gz IVKGGTZZTYFORH-MEDUHNTESA-N -1 0 339.392 1.459 20 30 EDEDRM CN(C)C(=O)COc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000820530662 593826649 /nfs/dbraw/zinc/82/66/49/593826649.db2.gz ZDHCXWCINPJSOC-MRXNPFEDSA-N -1 0 333.344 1.097 20 30 EDEDRM CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820607683 593843344 /nfs/dbraw/zinc/84/33/44/593843344.db2.gz PHIRYGSGMOVPAL-KRWDZBQOSA-N -1 0 326.356 1.835 20 30 EDEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)/C=C/[C@H]1CCCO1 ZINC000820631957 593849645 /nfs/dbraw/zinc/84/96/45/593849645.db2.gz ADQSHDGLQYNVBS-HOSRBBHYSA-N -1 0 336.369 1.107 20 30 EDEDRM COC(=O)[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(C)cc1 ZINC000820654141 593854315 /nfs/dbraw/zinc/85/43/15/593854315.db2.gz YCANAOSOHKARRN-DYVFJYSZSA-N -1 0 332.356 1.372 20 30 EDEDRM C#CC(=O)Nc1nnc(SCc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000823837406 593869412 /nfs/dbraw/zinc/86/94/12/593869412.db2.gz CZURTDLNZYMLNO-UHFFFAOYSA-N -1 0 343.397 1.582 20 30 EDEDRM COc1ccc(C(=O)N(C)C)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820814912 593896255 /nfs/dbraw/zinc/89/62/55/593896255.db2.gz LHOZMJPAWIHWBX-INIZCTEOSA-N -1 0 333.344 1.340 20 30 EDEDRM Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c(OCC(=O)N(C)C)c1 ZINC000821088014 593962779 /nfs/dbraw/zinc/96/27/79/593962779.db2.gz MRRRXQVTTCPKHQ-QGZVFWFLSA-N -1 0 347.371 1.405 20 30 EDEDRM Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c(OCC(=O)N(C)C)c1 ZINC000821088013 593963045 /nfs/dbraw/zinc/96/30/45/593963045.db2.gz MRRRXQVTTCPKHQ-KRWDZBQOSA-N -1 0 347.371 1.405 20 30 EDEDRM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1-c1nnn[n-]1 ZINC000821979234 593976134 /nfs/dbraw/zinc/97/61/34/593976134.db2.gz QCORLZHYCUCLEY-XCBNKYQSSA-N -1 0 345.388 1.111 20 30 EDEDRM Cc1cc(C(C#N)=C([O-])c2cc(-c3nn[nH]n3)cs2)nc(C)n1 ZINC000822182841 594004655 /nfs/dbraw/zinc/00/46/55/594004655.db2.gz ALPJWKKWLKPKHB-JTQLQIEISA-N -1 0 325.357 1.825 20 30 EDEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)Cc2ccn(C(C)C)n2)o1 ZINC000824457215 594016526 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Cc1cccc([C@H](CC(=O)[O-])NS(=O)(=O)N(C)C[C@@H](C)C#N)c1 ZINC000593254565 449189728 /nfs/dbraw/zinc/18/97/28/449189728.db2.gz HGARTERWBCJAAM-JSGCOSHPSA-N -1 0 339.417 1.437 20 30 EDEDRM Cc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)N(C)C[C@@H](C)C#N)c1 ZINC000593254564 449189890 /nfs/dbraw/zinc/18/98/90/449189890.db2.gz HGARTERWBCJAAM-GXTWGEPZSA-N -1 0 339.417 1.437 20 30 EDEDRM CSc1[n-]c(=O)c(C(=O)NCC[C@@]2(O)CCCOC2)cc1C#N ZINC000593880634 449258481 /nfs/dbraw/zinc/25/84/81/449258481.db2.gz BSVBPSMVYULNMS-HNNXBMFYSA-N -1 0 337.401 1.042 20 30 EDEDRM CSc1[n-]c(=O)c(C(=O)NCC[C@]2(O)CCCOC2)cc1C#N ZINC000593880637 449259070 /nfs/dbraw/zinc/25/90/70/449259070.db2.gz BSVBPSMVYULNMS-OAHLLOKOSA-N -1 0 337.401 1.042 20 30 EDEDRM CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593942934 449301231 /nfs/dbraw/zinc/30/12/31/449301231.db2.gz ATOJUWSUMFBMJI-FVCCEPFGSA-N -1 0 345.465 1.438 20 30 EDEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC(=O)[O-])C1CCC1 ZINC000593945831 449301944 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326.352 1.789 20 30 EDEDRM C#CC[C@H](NC(=O)c1cc(C)n(Cc2ccccn2)c1C)C(=O)[O-] ZINC000910052246 592752621 /nfs/dbraw/zinc/75/26/21/592752621.db2.gz QDEATKJOOMJRTK-INIZCTEOSA-N -1 0 325.368 1.755 20 30 EDEDRM C#CC[C@H](NC(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1)C(=O)[O-] ZINC000910055011 592753877 /nfs/dbraw/zinc/75/38/77/592753877.db2.gz WDRZJPISHDFHEJ-KGLIPLIRSA-N -1 0 337.420 1.047 20 30 EDEDRM C#CC[C@@H](NC(=O)[C@@H](OC)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000910048992 592758721 /nfs/dbraw/zinc/75/87/21/592758721.db2.gz QMIUSKAYIQZVCM-NEPJUHHUSA-N -1 0 329.274 1.986 20 30 EDEDRM C#CC[C@H](NC(=O)CN[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000910050372 592758780 /nfs/dbraw/zinc/75/87/80/592758780.db2.gz IUBOEVICKBOYAJ-WCQYABFASA-N -1 0 328.290 1.472 20 30 EDEDRM C=CCOC[C@H](NC(=O)c1ccc(OCC(F)F)nc1)C(=O)[O-] ZINC000909768711 592828338 /nfs/dbraw/zinc/82/83/38/592828338.db2.gz WFMXPYSPFRDBRS-JTQLQIEISA-N -1 0 330.287 1.111 20 30 EDEDRM C=CCOC[C@H](NC(=O)C1CCN(c2ccc(C)cn2)CC1)C(=O)[O-] ZINC000909772118 592829085 /nfs/dbraw/zinc/82/90/85/592829085.db2.gz VUIWWYJOIDFRLY-HNNXBMFYSA-N -1 0 347.415 1.378 20 30 EDEDRM C=CCOC[C@@H](NC(=O)[C@H]1CCCN(CC(F)(F)F)C1)C(=O)[O-] ZINC000909772704 592829605 /nfs/dbraw/zinc/82/96/05/592829605.db2.gz VDGOMIJVLFZVHM-WDEREUQCSA-N -1 0 338.326 1.033 20 30 EDEDRM C=CCNS(=O)(=O)c1ccccc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000910490559 592869854 /nfs/dbraw/zinc/86/98/54/592869854.db2.gz MEKRQWPLXUURAJ-CHWSQXEVSA-N -1 0 338.429 1.698 20 30 EDEDRM C=CCCn1cc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)nn1 ZINC000911021573 592908754 /nfs/dbraw/zinc/90/87/54/592908754.db2.gz WBAQISFRXIKIQO-UHFFFAOYSA-N -1 0 346.309 1.724 20 30 EDEDRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000734293725 592959818 /nfs/dbraw/zinc/95/98/18/592959818.db2.gz JQVAVMYGGUMWHG-GFCCVEGCSA-N -1 0 340.401 1.113 20 30 EDEDRM C=CCOc1ccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cc1OC ZINC000911639986 592963832 /nfs/dbraw/zinc/96/38/32/592963832.db2.gz RODAQNPDFNWOLH-WFASDCNBSA-N -1 0 335.356 1.310 20 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Cc1ccc(CS(=O)(=O)[N-]C(=O)COc2cccc(C#N)c2)cc1 ZINC000809062837 593315077 /nfs/dbraw/zinc/31/50/77/593315077.db2.gz BSILCDQILRZWOW-UHFFFAOYSA-N -1 0 344.392 1.892 20 30 EDEDRM CCc1c(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)ccn1C ZINC000810517018 593408778 /nfs/dbraw/zinc/40/87/78/593408778.db2.gz CWIOTBMOPDUTIT-UHFFFAOYSA-N -1 0 331.397 1.719 20 30 EDEDRM C=CCN(CC(=O)[O-])C(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000762051308 593425014 /nfs/dbraw/zinc/42/50/14/593425014.db2.gz UBDPOLXDBQNHHW-UHFFFAOYSA-N -1 0 348.403 1.045 20 30 EDEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-c2cncnc2)cc1F ZINC000810770009 593428981 /nfs/dbraw/zinc/42/89/81/593428981.db2.gz GSMVLVACZDPUJB-UHFFFAOYSA-N -1 0 333.344 1.366 20 30 EDEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1NCc1cccnc1 ZINC000810772897 593429112 /nfs/dbraw/zinc/42/91/12/593429112.db2.gz JOPGYRBPARPZBE-UHFFFAOYSA-N -1 0 343.408 1.777 20 30 EDEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000810774058 593429482 /nfs/dbraw/zinc/42/94/82/593429482.db2.gz 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N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCC2)c1 ZINC000813984897 593566587 /nfs/dbraw/zinc/56/65/87/593566587.db2.gz GAMDKLGAUJXSMS-UHFFFAOYSA-N -1 0 341.392 1.880 20 30 EDEDRM C#CC[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000817111147 593571173 /nfs/dbraw/zinc/57/11/73/593571173.db2.gz VCVHCPPHAVNMFK-KSSFIOAISA-N -1 0 328.368 1.190 20 30 EDEDRM O=c1[n-][nH]c(=O)n1N=Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000814231670 593579629 /nfs/dbraw/zinc/57/96/29/593579629.db2.gz CEHPEOIVLYXYGQ-UHFFFAOYSA-N -1 0 340.130 1.459 20 30 EDEDRM CC(=NNc1ccc(S(N)(=O)=O)cc1)c1cc(C(=O)[O-])cs1 ZINC000814681209 593600819 /nfs/dbraw/zinc/60/08/19/593600819.db2.gz BXYKKWCUZPSYIK-UHFFFAOYSA-N -1 0 339.398 1.930 20 30 EDEDRM CC(CC1(C(=O)[O-])CCC1)=NN=C1NS(=O)(=O)c2ccccc21 ZINC000814799222 593603300 /nfs/dbraw/zinc/60/33/00/593603300.db2.gz XXIHALMWYFPDKO-UHFFFAOYSA-N -1 0 335.385 1.746 20 30 EDEDRM C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1nccc(N2CCOCC2)n1 ZINC000814871619 593605667 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C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)OCC ZINC000846154726 595159713 /nfs/dbraw/zinc/15/97/13/595159713.db2.gz RMZUIUOYGMDBTN-QMMMGPOBSA-N -1 0 342.298 1.702 20 30 EDEDRM CS(=O)(=O)CC1CCC(N=Nc2ccc(C(=O)[O-])nc2)CC1 ZINC000835010091 595245691 /nfs/dbraw/zinc/24/56/91/595245691.db2.gz NVGWOCVYFXYTNS-UHFFFAOYSA-N -1 0 325.390 1.783 20 30 EDEDRM C=C(C)CO[N-]C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 ZINC000846533425 595268844 /nfs/dbraw/zinc/26/88/44/595268844.db2.gz IIQVLWCOELGVOC-HIFRSBDPSA-N -1 0 334.420 1.732 20 30 EDEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 ZINC000846552608 595273034 /nfs/dbraw/zinc/27/30/34/595273034.db2.gz LHTIYUKIFWZEAD-WHOFXGATSA-N -1 0 334.420 1.731 20 30 EDEDRM C#C[C@H]1CCCN(S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)C1 ZINC000846766143 595313844 /nfs/dbraw/zinc/31/38/44/595313844.db2.gz NDFFLPRLKLECSK-NSHDSACASA-N -1 0 341.360 1.323 20 30 EDEDRM CS(=O)(=O)N1CC[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000844269176 595314582 /nfs/dbraw/zinc/31/45/82/595314582.db2.gz AQTYHCPVXJEKLY-XPWNQWCVSA-N -1 0 347.780 1.407 20 30 EDEDRM C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000844793262 595397004 /nfs/dbraw/zinc/39/70/04/595397004.db2.gz MAJZQOCRJNDHMQ-NEPJUHHUSA-N -1 0 337.401 1.544 20 30 EDEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1C(=O)N(C)C(C)C ZINC000847533145 595442260 /nfs/dbraw/zinc/44/22/60/595442260.db2.gz FPDITMWCXLMGGT-GFCCVEGCSA-N -1 0 333.388 1.728 20 30 EDEDRM N#CC(C(=O)NC1CC1)=C([O-])c1nnn(-c2ccccc2)c1C(F)F ZINC000847624575 595459132 /nfs/dbraw/zinc/45/91/32/595459132.db2.gz UFGOOOPWYXOSFT-LLVKDONJSA-N -1 0 345.309 1.806 20 30 EDEDRM C=CCS(=O)(=O)[N-]C(=O)[C@@H](OC)c1ccccc1Br ZINC000847669646 595466081 /nfs/dbraw/zinc/46/60/81/595466081.db2.gz MGRPGAOHVPPXEB-NSHDSACASA-N -1 0 348.218 1.769 20 30 EDEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cn(-c2ccccc2)cn1 ZINC000845500646 595507864 /nfs/dbraw/zinc/50/78/64/595507864.db2.gz ABKQUNSQTRYCGL-UHFFFAOYSA-N -1 0 332.385 1.482 20 30 EDEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC(C)(C)C)nc1 ZINC000845544259 595515993 /nfs/dbraw/zinc/51/59/93/595515993.db2.gz ITDQYFPCQRAIRY-UHFFFAOYSA-N -1 0 338.385 1.120 20 30 EDEDRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000845544465 595516469 /nfs/dbraw/zinc/51/64/69/595516469.db2.gz QJFURZQQRLPPKT-LSDHHAIUSA-N -1 0 330.388 1.535 20 30 EDEDRM C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N)[C@H]1CCCO1 ZINC000850735046 595617242 /nfs/dbraw/zinc/61/72/42/595617242.db2.gz MWHJDWGTFHXQME-IUODEOHRSA-N -1 0 336.413 1.709 20 30 EDEDRM COCCCNC(=O)C(C#N)=C([O-])c1cnn2cccc(Cl)c12 ZINC000850752266 595621954 /nfs/dbraw/zinc/62/19/54/595621954.db2.gz MPMYJXXUQZKUHN-SNVBAGLBSA-N -1 0 334.763 1.463 20 30 EDEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2COC[C@@H]2c2ccccc2)CCC1 ZINC000850961091 595688096 /nfs/dbraw/zinc/68/80/96/595688096.db2.gz SBHQZJKCRIJJKC-CABCVRRESA-N -1 0 348.424 1.556 20 30 EDEDRM CO[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000850969637 595690606 /nfs/dbraw/zinc/69/06/06/595690606.db2.gz GLYPPWIZNRVEDS-VHSXEESVSA-N -1 0 326.349 1.317 20 30 EDEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn(C[C@H]2CCOC2)nn1 ZINC000860463765 595693821 /nfs/dbraw/zinc/69/38/21/595693821.db2.gz HBWPXWYHUKMNJS-KGLIPLIRSA-N -1 0 347.419 1.334 20 30 EDEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cn2ccnn2)cc1 ZINC000860464191 595694076 /nfs/dbraw/zinc/69/40/76/595694076.db2.gz QDHPNXFUWPONHV-INIZCTEOSA-N -1 0 339.399 1.955 20 30 EDEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000860470351 595696517 /nfs/dbraw/zinc/69/65/17/595696517.db2.gz ZFDDSHGBFJMBMP-CHWSQXEVSA-N -1 0 338.310 1.558 20 30 EDEDRM Cc1oc(S(C)(=O)=O)cc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000860477142 595699615 /nfs/dbraw/zinc/69/96/15/595699615.db2.gz BFAISHWSLKEWEU-LBPRGKRZSA-N -1 0 338.385 1.373 20 30 EDEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)c1ccccc1 ZINC000853205524 595702658 /nfs/dbraw/zinc/70/26/58/595702658.db2.gz GUKMBVNWBLZPSR-LSDHHAIUSA-N -1 0 341.429 1.454 20 30 EDEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cccc(-n2cncn2)c1 ZINC000115902203 595710916 /nfs/dbraw/zinc/71/09/16/595710916.db2.gz HRSROCKPKBQRRS-OAHLLOKOSA-N -1 0 341.371 1.133 20 30 EDEDRM CC1(C)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N ZINC000851045674 595712834 /nfs/dbraw/zinc/71/28/34/595712834.db2.gz KSORRGQCCOUZIP-NSHDSACASA-N -1 0 337.357 1.708 20 30 EDEDRM C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)CO1 ZINC000851192046 595749594 /nfs/dbraw/zinc/74/95/94/595749594.db2.gz WPGRRJWCMVUEME-MWLCHTKSSA-N -1 0 326.349 1.068 20 30 EDEDRM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCOC2)c1 ZINC000851192536 595749599 /nfs/dbraw/zinc/74/95/99/595749599.db2.gz LKIMOFIAFQJOEF-NSHDSACASA-N -1 0 326.349 1.070 20 30 EDEDRM CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851192202 595749623 /nfs/dbraw/zinc/74/96/23/595749623.db2.gz BXVMUONJVKDYTC-ZDUSSCGKSA-N -1 0 328.365 1.458 20 30 EDEDRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000860656960 595755648 /nfs/dbraw/zinc/75/56/48/595755648.db2.gz UHACZAZCGIAEFC-RQJABVFESA-N -1 0 342.461 1.966 20 30 EDEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])OCC ZINC000851328471 595774227 /nfs/dbraw/zinc/77/42/27/595774227.db2.gz IPDWFVILXSUYRD-SNVBAGLBSA-N -1 0 343.361 1.166 20 30 EDEDRM C=CCCO[N-]C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC000856030365 595878441 /nfs/dbraw/zinc/87/84/41/595878441.db2.gz XKGKSPZSUOXQON-SFHVURJKSA-N -1 0 343.383 1.609 20 30 EDEDRM C#CCCN(CCOC)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000856388209 595971870 /nfs/dbraw/zinc/97/18/70/595971870.db2.gz BRMWJFIFGZWKHN-UHFFFAOYSA-N -1 0 327.384 1.586 20 30 EDEDRM C#CCNC(=O)c1ccccc1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000118321210 596020949 /nfs/dbraw/zinc/02/09/49/596020949.db2.gz CURFKBJFNLYUHS-UHFFFAOYSA-N -1 0 346.346 1.538 20 30 EDEDRM COc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)ccc1C#N ZINC000854365721 596052794 /nfs/dbraw/zinc/05/27/94/596052794.db2.gz UKYKBXNCEVKDDS-GFCCVEGCSA-N -1 0 327.344 1.410 20 30 EDEDRM CC(C)(C)OC(=O)[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC#N ZINC000852521486 596189072 /nfs/dbraw/zinc/18/90/72/596189072.db2.gz ZJHSGRJDWODJKK-VHSXEESVSA-N -1 0 335.326 1.363 20 30 EDEDRM N#C[C@H]1CC[C@@H](NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC000862036461 596189277 /nfs/dbraw/zinc/18/92/77/596189277.db2.gz WUPQTMFYMPJTOA-DTWKUNHWSA-N -1 0 329.278 1.880 20 30 EDEDRM C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000859770440 596191702 /nfs/dbraw/zinc/19/17/02/596191702.db2.gz ABKWCHOHIFBLLN-STQMWFEESA-N -1 0 344.367 1.206 20 30 EDEDRM C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000859773851 596193641 /nfs/dbraw/zinc/19/36/41/596193641.db2.gz MZXUFQMDFDYKTK-DOMZBBRYSA-N -1 0 344.367 1.206 20 30 EDEDRM C#CCOc1ccc(NC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)cc1 ZINC000864593477 596275053 /nfs/dbraw/zinc/27/50/53/596275053.db2.gz WYLMCXDVULWQDA-QGZVFWFLSA-N -1 0 332.356 1.654 20 30 EDEDRM C#CC[C@H]1CCN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000862561813 596346913 /nfs/dbraw/zinc/34/69/13/596346913.db2.gz CDWQEEFHEIPMPB-ZDUSSCGKSA-N -1 0 341.436 1.947 20 30 EDEDRM C=CC1(S(=O)(=O)[N-]C(=O)c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000870836546 596369642 /nfs/dbraw/zinc/36/96/42/596369642.db2.gz DYTKXXKXGOGMKQ-UHFFFAOYSA-N -1 0 331.397 1.779 20 30 EDEDRM C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC000870836358 596369801 /nfs/dbraw/zinc/36/98/01/596369801.db2.gz ZGSUFPYEXQWWPY-SNVBAGLBSA-N -1 0 330.406 1.160 20 30 EDEDRM C=CC1(S(=O)(=O)[N-]C(=O)c2ccc(OC)c(OC)c2C)CC1 ZINC000870838357 596370559 /nfs/dbraw/zinc/37/05/59/596370559.db2.gz VRLNJZKHNONCHL-UHFFFAOYSA-N -1 0 325.386 1.790 20 30 EDEDRM CC[C@@H](NN=C1C(=O)Nc2ccc(F)c(Br)c21)C(=O)[O-] ZINC000863114769 596503519 /nfs/dbraw/zinc/50/35/19/596503519.db2.gz SUULAVVXHSDAJT-ZCFIWIBFSA-N -1 0 344.140 1.697 20 30 EDEDRM C=C(Cl)C[C@H](NS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC000863419668 596577606 /nfs/dbraw/zinc/57/76/06/596577606.db2.gz DXFGKOLYPXSPBN-QMMMGPOBSA-N -1 0 333.749 1.289 20 30 EDEDRM C=C(Cl)C[C@H](NS(=O)(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000863421548 596579039 /nfs/dbraw/zinc/57/90/39/596579039.db2.gz SMKWVUQXXSJUEO-VIFPVBQESA-N -1 0 333.749 1.289 20 30 EDEDRM C[C@@H](C#N)CN(C1CC1)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000871926051 596744758 /nfs/dbraw/zinc/74/47/58/596744758.db2.gz XDJGRDNPSOXPTE-VIFPVBQESA-N -1 0 326.349 1.837 20 30 EDEDRM N#C[C@@H]1CSCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000871932961 596749372 /nfs/dbraw/zinc/74/93/72/596749372.db2.gz BXEQLSMPVPRJFF-MRVPVSSYSA-N -1 0 348.352 1.293 20 30 EDEDRM C#C[C@H](CCC)NS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000871951641 596757667 /nfs/dbraw/zinc/75/76/67/596757667.db2.gz PGGVVNGKXZMOTK-SNVBAGLBSA-N -1 0 345.804 1.884 20 30 EDEDRM C#C[C@@H](CCC)NS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000871951155 596757856 /nfs/dbraw/zinc/75/78/56/596757856.db2.gz KLBGPURPPCMUNE-LBPRGKRZSA-N -1 0 325.386 1.539 20 30 EDEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000870141191 596768321 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1.186 20 30 EDEDRM C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H]2CCCC[C@H]21 ZINC000602129077 449367116 /nfs/dbraw/zinc/36/71/16/449367116.db2.gz CJNBOYCZUQGQDR-KWCYVHTRSA-N -1 0 330.388 1.248 20 30 EDEDRM N#Cc1cn(CCC(=O)N2CCCC23CCCCC3)c(=O)[n-]c1=O ZINC000602131192 449369640 /nfs/dbraw/zinc/36/96/40/449369640.db2.gz KHCVBEWZTXXDTG-UHFFFAOYSA-N -1 0 330.388 1.536 20 30 EDEDRM Cc1ccc(-n2[n-]c(C(=O)N3CCN(CCC#N)CC3)cc2=O)cc1 ZINC000602209442 449435176 /nfs/dbraw/zinc/43/51/76/449435176.db2.gz YFGGJXWTHVZSMP-UHFFFAOYSA-N -1 0 339.399 1.146 20 30 EDEDRM N#Cc1cn(CC(=O)N(CC2CC2)c2cccc(F)c2)c(=O)[n-]c1=O ZINC000602200042 449429519 /nfs/dbraw/zinc/42/95/19/449429519.db2.gz XWSRSZVFCACAQC-UHFFFAOYSA-N -1 0 342.330 1.403 20 30 EDEDRM N#CCCN1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC000602203202 449431413 /nfs/dbraw/zinc/43/14/13/449431413.db2.gz RASXNOMJTKMXFK-UHFFFAOYSA-N -1 0 343.362 1.388 20 30 EDEDRM N#Cc1ccc(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c(F)c1 ZINC000600655861 449473642 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EDEDRM N#CC[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000594660815 449613422 /nfs/dbraw/zinc/61/34/22/449613422.db2.gz RDNMPBLRRMBKMM-WFASDCNBSA-N -1 0 341.367 1.642 20 30 EDEDRM CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C)[C@@H](CC(=O)[O-])C1 ZINC000594673675 449620014 /nfs/dbraw/zinc/62/00/14/449620014.db2.gz SOIRNNLTOSLKNJ-AGIUHOORSA-N -1 0 331.438 1.145 20 30 EDEDRM CC[C@@H](C)C[C@H](C)NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000598994577 449685322 /nfs/dbraw/zinc/68/53/22/449685322.db2.gz BLWOMJULDSOQOC-MNOVXSKESA-N -1 0 333.392 1.212 20 30 EDEDRM COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000595247451 449973861 /nfs/dbraw/zinc/97/38/61/449973861.db2.gz DQWLHTSNIXKUDY-YOEHRIQHSA-N -1 0 332.356 1.705 20 30 EDEDRM C=CCCSCCNC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000595276074 449995394 /nfs/dbraw/zinc/99/53/94/449995394.db2.gz LJCAWPWBEWPQQK-CYBMUJFWSA-N -1 0 342.461 1.515 20 30 EDEDRM N#CCN1CCC(NC(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000609337559 450014049 /nfs/dbraw/zinc/01/40/49/450014049.db2.gz XEQXMZVGHWMHBH-UHFFFAOYSA-N -1 0 343.362 1.435 20 30 EDEDRM C=CC[C@@H](CO)CNC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000613254548 450103747 /nfs/dbraw/zinc/10/37/47/450103747.db2.gz ZJQAHCYQJIJFIZ-SNVBAGLBSA-N -1 0 337.326 1.771 20 30 EDEDRM COC(=O)C1(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)CCCC1 ZINC000610638669 450280443 /nfs/dbraw/zinc/28/04/43/450280443.db2.gz VMZNFKREKHOALX-UHFFFAOYSA-N -1 0 349.412 1.844 20 30 EDEDRM N#Cc1cnc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)s1 ZINC000610725081 450312075 /nfs/dbraw/zinc/31/20/75/450312075.db2.gz DGASFPZNPSPHPC-UHFFFAOYSA-N -1 0 331.382 2.001 20 30 EDEDRM C=CC[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)C1 ZINC000629334710 450614530 /nfs/dbraw/zinc/61/45/30/450614530.db2.gz WPDCGKMECZKWGG-NSHDSACASA-N -1 0 325.386 1.980 20 30 EDEDRM C=C(C)C[C@H](NC(=O)NCCc1cccc(OC)c1OC)C(=O)[O-] ZINC000630471193 451207118 /nfs/dbraw/zinc/20/71/18/451207118.db2.gz PFAURFJCZRTGJX-ZDUSSCGKSA-N -1 0 336.388 1.965 20 30 EDEDRM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000666262669 452725396 /nfs/dbraw/zinc/72/53/96/452725396.db2.gz MYXBRTBNQCZIEA-OLZOCXBDSA-N -1 0 341.385 1.080 20 30 EDEDRM C=CCC1(NS(=O)(=O)c2csc(C(=O)[O-])c2)CCOCC1 ZINC000656721456 453400970 /nfs/dbraw/zinc/40/09/70/453400970.db2.gz MXBRSVHHOJQGGL-UHFFFAOYSA-N -1 0 331.415 1.850 20 30 EDEDRM CC#CC[C@@H](NS(=O)(=O)c1c(C)ccc2ncccc21)C(=O)[O-] ZINC000681579732 487095646 /nfs/dbraw/zinc/09/56/46/487095646.db2.gz RYMQZPHQAUBQSP-CQSZACIVSA-N -1 0 332.381 1.688 20 30 EDEDRM C=CC[C@H](NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1)C(=O)[O-] ZINC000681557432 486468357 /nfs/dbraw/zinc/46/83/57/486468357.db2.gz ACSXQLNVMBBFCB-ZDUSSCGKSA-N -1 0 325.386 1.833 20 30 EDEDRM C=CCOC[C@H](NC(=O)c1oc2ccccc2c1COC)C(=O)[O-] ZINC000262996544 534880712 /nfs/dbraw/zinc/88/07/12/534880712.db2.gz LXFIBGXRCSZYAQ-ZDUSSCGKSA-N -1 0 333.340 1.965 20 30 EDEDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1ccc(C#N)cc1 ZINC000183723253 529080260 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C=C(Cl)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000736094619 578953479 /nfs/dbraw/zinc/95/34/79/578953479.db2.gz PMJAUIBGHXFIDZ-UHFFFAOYSA-N -1 0 326.736 1.266 20 30 EDEDRM C=CCCCN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736098270 578953746 /nfs/dbraw/zinc/95/37/46/578953746.db2.gz ZQTUNIFZDIGJPJ-AWEZNQCLSA-N -1 0 332.356 1.290 20 30 EDEDRM CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@@H]1c1ccc2c(c1)CC(C)(C)O2 ZINC000736124366 578955327 /nfs/dbraw/zinc/95/53/27/578955327.db2.gz AYJGKDGSSZYTRC-CYBMUJFWSA-N -1 0 346.408 1.847 20 30 EDEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736219312 578964328 /nfs/dbraw/zinc/96/43/28/578964328.db2.gz ONELLJWWZROHMU-BXKDBHETSA-N -1 0 349.412 1.221 20 30 EDEDRM CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736348993 578981246 /nfs/dbraw/zinc/98/12/46/578981246.db2.gz FGMLCERMRCCNHX-GOSISDBHSA-N -1 0 346.383 1.915 20 30 EDEDRM C[C@@H](CC#N)N(C)C(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC000736540754 578997390 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CC1(C)Cc2cc(S(=O)(=O)[N-]c3cnn(CC#N)c3)ccc2O1 ZINC000753363625 579877974 /nfs/dbraw/zinc/87/79/74/579877974.db2.gz NEVLNMCYZZPAJE-UHFFFAOYSA-N -1 0 332.385 1.921 20 30 EDEDRM COc1cc(C)cnc1C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000753881619 579890167 /nfs/dbraw/zinc/89/01/67/579890167.db2.gz MOZDCBGGLIFDOZ-UHFFFAOYSA-N -1 0 345.380 1.530 20 30 EDEDRM COc1cc(C)cnc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000753890402 579890423 /nfs/dbraw/zinc/89/04/23/579890423.db2.gz PXEPGGNOLJBEKW-UHFFFAOYSA-N -1 0 331.353 1.389 20 30 EDEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc(-n3cccc3)c2)CC1 ZINC000753945381 579891864 /nfs/dbraw/zinc/89/18/64/579891864.db2.gz PFUJMHMDZVWSSU-UHFFFAOYSA-N -1 0 329.381 1.841 20 30 EDEDRM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cnn(CC#N)c1 ZINC000753956536 579892316 /nfs/dbraw/zinc/89/23/16/579892316.db2.gz ZYFGZQAFHFGRRN-UHFFFAOYSA-N -1 0 334.357 1.303 20 30 EDEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccnc(O[C@H]2CCOC2)c1 ZINC000755600967 579930619 /nfs/dbraw/zinc/93/06/19/579930619.db2.gz 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580173914 /nfs/dbraw/zinc/17/39/14/580173914.db2.gz NVLSQHHZNDBGME-UHFFFAOYSA-N -1 0 336.291 1.083 20 30 EDEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)c1cc(C(C)C)n[nH]1 ZINC000766988432 580179147 /nfs/dbraw/zinc/17/91/47/580179147.db2.gz OFALTFVXSRDSED-UHFFFAOYSA-N -1 0 348.384 1.532 20 30 EDEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)CCOCC1CC1 ZINC000766988385 580179176 /nfs/dbraw/zinc/17/91/76/580179176.db2.gz MNRXBYZWYHGRBQ-UHFFFAOYSA-N -1 0 338.385 1.188 20 30 EDEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)Cc1ccc(C)cc1 ZINC000766990015 580179191 /nfs/dbraw/zinc/17/91/91/580179191.db2.gz FHGUUMGKTDXYHQ-UHFFFAOYSA-N -1 0 344.392 1.923 20 30 EDEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)CSC(C)(C)C ZINC000766991091 580179260 /nfs/dbraw/zinc/17/92/60/580179260.db2.gz UNQFHFYJLXQPFS-UHFFFAOYSA-N -1 0 342.442 1.903 20 30 EDEDRM C=CCNC(=O)C(C#N)=C([O-])c1cn(-c2ccc(F)cc2C)nn1 ZINC000767432603 580189591 /nfs/dbraw/zinc/18/95/91/580189591.db2.gz MVSFVADCYDQXLU-LBPRGKRZSA-N -1 0 327.319 1.340 20 30 EDEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)Cc2ccc(C#N)cc2)c1 ZINC000767481169 580190899 /nfs/dbraw/zinc/19/08/99/580190899.db2.gz WWBCEDXDKUVQAA-UHFFFAOYSA-N -1 0 332.385 1.383 20 30 EDEDRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2cc(C#N)ccc2[O-])C1 ZINC000768186302 580208509 /nfs/dbraw/zinc/20/85/09/580208509.db2.gz ZLXTZQIRSZQRDH-AWEZNQCLSA-N -1 0 347.371 1.838 20 30 EDEDRM COCCNC(=O)C(C#N)=C([O-])c1cnc(OC(C)C)c(Cl)c1 ZINC000770100826 580252816 /nfs/dbraw/zinc/25/28/16/580252816.db2.gz URDWVENISZJROF-NSHDSACASA-N -1 0 339.779 1.607 20 30 EDEDRM CCN(CC(=O)C(C#N)=C([O-])c1nccn1C)C(=O)OC(C)(C)C ZINC000770871282 580274131 /nfs/dbraw/zinc/27/41/31/580274131.db2.gz KUWDMUIHGPEXCF-LLVKDONJSA-N -1 0 334.376 1.569 20 30 EDEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000770875659 580274221 /nfs/dbraw/zinc/27/42/21/580274221.db2.gz GCIZSVTVCUEMSY-LLVKDONJSA-N -1 0 336.351 1.855 20 30 EDEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccn(-c3ccccc3)n2)CCC1 ZINC000771080309 580279473 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