smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCCN(C(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O)c1cccc(Cl)c1 ZINC000003429141 568901238 /nfs/dbraw/zinc/90/12/38/568901238.db2.gz VJLNOOMJRUDXAQ-UHFFFAOYSA-N -1 0 410.817 2.695 20 30 HFEDRM C=CCN1CCN(c2ncccc2S(=O)(=O)[N-]c2ccc(OCC)cc2)CC1 ZINC001165032118 721869165 /nfs/dbraw/zinc/86/91/65/721869165.db2.gz IFJVVLBDWNQBSC-UHFFFAOYSA-N -1 0 402.520 2.589 20 30 HFEDRM C=CCSCCNC(=O)N[C@H](C(=O)[O-])c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000522058042 939257865 /nfs/dbraw/zinc/25/78/65/939257865.db2.gz XQNNIFFIZZWFIV-KRWDZBQOSA-N -1 0 406.483 2.972 20 30 HFEDRM CC[C@@H](NN=Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1)C(=O)[O-] ZINC000793072339 1078062714 /nfs/dbraw/zinc/06/27/14/1078062714.db2.gz NHIJJHPGSCRCQU-MRXNPFEDSA-N -1 0 406.460 2.558 20 30 HFEDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000793115468 1078083080 /nfs/dbraw/zinc/08/30/80/1078083080.db2.gz DKDACCRMUSZIGQ-UHFFFAOYSA-N -1 0 424.232 2.656 20 30 HFEDRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)c1ccccc1 ZINC000793202815 1078093310 /nfs/dbraw/zinc/09/33/10/1078093310.db2.gz BRUKYAVFYNHEHQ-MRXNPFEDSA-N -1 0 421.519 2.782 20 30 HFEDRM Cc1ccc2nc(COc3ccccc3C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)cn2c1 ZINC000793194872 1078097653 /nfs/dbraw/zinc/09/76/53/1078097653.db2.gz BVKQSSWDHUMORK-UHFFFAOYSA-N -1 0 424.482 2.585 20 30 HFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c2ccc(Br)cc2n1 ZINC000793194589 1078097689 /nfs/dbraw/zinc/09/76/89/1078097689.db2.gz QOLCYWXZRPUECQ-UHFFFAOYSA-N -1 0 408.277 2.669 20 30 HFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 ZINC000793198275 1078099107 /nfs/dbraw/zinc/09/91/07/1078099107.db2.gz WYFSDFOYPIMNMW-UHFFFAOYSA-N -1 0 406.467 2.903 20 30 HFEDRM N#CC(C(=O)NCc1ccc([N+](=O)[O-])cc1)=C([O-])c1cc(Cc2ccccc2)[nH]n1 ZINC000793279843 1078126593 /nfs/dbraw/zinc/12/65/93/1078126593.db2.gz KWRHKVKNACJHRE-GOSISDBHSA-N -1 0 403.398 2.548 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2(c3cccc(F)c3)CC2)cc1Br ZINC000790837039 1078140493 /nfs/dbraw/zinc/14/04/93/1078140493.db2.gz VVWRHQNZKXJGFU-UHFFFAOYSA-N -1 0 423.263 2.997 20 30 HFEDRM CCc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000790838419 1078141348 /nfs/dbraw/zinc/14/13/48/1078141348.db2.gz CCWJJTMURAPJJS-UHFFFAOYSA-N -1 0 407.289 2.931 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCOc3ccccc32)cc1Br ZINC000790839477 1078141617 /nfs/dbraw/zinc/14/16/17/1078141617.db2.gz PERCXXSKMJHDCD-AWEZNQCLSA-N -1 0 421.272 2.692 20 30 HFEDRM Cc1ccc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 ZINC000790839168 1078142062 /nfs/dbraw/zinc/14/20/62/1078142062.db2.gz LROHPRCPHWQNDW-DAXSKMNVSA-N -1 0 406.261 2.543 20 30 HFEDRM N#CC[C@H](CC(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccccc1 ZINC000793334946 1078142137 /nfs/dbraw/zinc/14/21/37/1078142137.db2.gz OVYNXGIGTPQMDV-CQSZACIVSA-N -1 0 415.446 2.603 20 30 HFEDRM COc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000790838722 1078142265 /nfs/dbraw/zinc/14/22/65/1078142265.db2.gz GBQDYYLQYRIREW-NSHDSACASA-N -1 0 423.288 2.938 20 30 HFEDRM CSc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)o1 ZINC000790840067 1078142948 /nfs/dbraw/zinc/14/29/48/1078142948.db2.gz TXBIPQORGREENI-UHFFFAOYSA-N -1 0 401.263 2.754 20 30 HFEDRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)ccc1F ZINC000790835290 1078161561 /nfs/dbraw/zinc/16/15/61/1078161561.db2.gz GHSPDLZTOROPBH-UHFFFAOYSA-N -1 0 413.224 2.587 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2=Cc3ccccc3OC2)cc1Br ZINC000790834721 1078161813 /nfs/dbraw/zinc/16/18/13/1078161813.db2.gz ARLGMVSNQPKSDU-UHFFFAOYSA-N -1 0 419.256 2.602 20 30 HFEDRM Cc1cncc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000790836074 1078162236 /nfs/dbraw/zinc/16/22/36/1078162236.db2.gz LFEKSERDOIAHEJ-GORDUTHDSA-N -1 0 406.261 2.543 20 30 HFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCO2 ZINC000790868373 1078164960 /nfs/dbraw/zinc/16/49/60/1078164960.db2.gz LHNOQILYXORNMK-UHFFFAOYSA-N -1 0 410.373 2.560 20 30 HFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc1I ZINC000793404957 1078169070 /nfs/dbraw/zinc/16/90/70/1078169070.db2.gz KXJOHPIHUNMSNW-UHFFFAOYSA-N -1 0 414.224 2.978 20 30 HFEDRM COc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790865225 1078182310 /nfs/dbraw/zinc/18/23/10/1078182310.db2.gz VEXSAQKSDYOLEF-UHFFFAOYSA-N -1 0 402.325 2.843 20 30 HFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)c1cc2c(s1)CCOC2 ZINC000790861657 1078180050 /nfs/dbraw/zinc/18/00/50/1078180050.db2.gz GVUHFRKVRBNOTR-UHFFFAOYSA-N -1 0 416.402 2.830 20 30 HFEDRM Cc1nc2ccccc2n1CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790862829 1078181179 /nfs/dbraw/zinc/18/11/79/1078181179.db2.gz VIRHGDPMMNJODC-UHFFFAOYSA-N -1 0 422.388 2.740 20 30 HFEDRM C=CC[C@]1(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CCCN1C(=O)OC(C)(C)C ZINC000793952734 1078345454 /nfs/dbraw/zinc/34/54/54/1078345454.db2.gz XTBIYSFCEMCNAD-HXUWFJFHSA-N -1 0 414.466 2.652 20 30 HFEDRM Cn1nc(Br)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000794049710 1078365908 /nfs/dbraw/zinc/36/59/08/1078365908.db2.gz BYNAXFDGXKPTNQ-UHFFFAOYSA-N -1 0 409.187 2.874 20 30 HFEDRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCOCC2)c1 ZINC000794051458 1078366240 /nfs/dbraw/zinc/36/62/40/1078366240.db2.gz PZVOULRXOTULNO-UHFFFAOYSA-N -1 0 408.867 2.763 20 30 HFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3COc4c(C)cccc4C3)cc2[n-]c1=S ZINC000794168324 1078380064 /nfs/dbraw/zinc/38/00/64/1078380064.db2.gz LOSAYXIMNFFGGU-INIZCTEOSA-N -1 0 407.495 2.913 20 30 HFEDRM C#C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(Cl)cc1F ZINC000804416651 1078486213 /nfs/dbraw/zinc/48/62/13/1078486213.db2.gz HROAYRBLRVCWCT-OAHLLOKOSA-N -1 0 416.808 2.526 20 30 HFEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(OCCCO)cc3)cc2[n-]c1=S ZINC000804758080 1078607384 /nfs/dbraw/zinc/60/73/84/1078607384.db2.gz RIKFEDCBRWMKSY-UHFFFAOYSA-N -1 0 411.483 2.885 20 30 HFEDRM C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805126172 1078926527 /nfs/dbraw/zinc/92/65/27/1078926527.db2.gz CRQVJJPIZVLMRC-BHDSKKPTSA-N -1 0 423.844 2.678 20 30 HFEDRM N#Cc1ccc(N2CC[C@H](C(=O)[N-]S(=O)(=O)c3cnc4ccccc4c3)C2)c(F)c1 ZINC000805927291 1079358325 /nfs/dbraw/zinc/35/83/25/1079358325.db2.gz BWJQQAFJXFLHIX-INIZCTEOSA-N -1 0 424.457 2.577 20 30 HFEDRM C=CCC[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)cc1F)C(=O)[O-] ZINC000788083598 1077054516 /nfs/dbraw/zinc/05/45/16/1077054516.db2.gz ROFHJSWOGFUPQK-SNVBAGLBSA-N -1 0 400.653 2.939 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccnc3ccncc32)cc1C(F)(F)F ZINC000788179557 1077067711 /nfs/dbraw/zinc/06/77/11/1077067711.db2.gz HZEXTGGGLKHOLT-UHFFFAOYSA-N -1 0 406.345 2.639 20 30 HFEDRM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000788189948 1077084048 /nfs/dbraw/zinc/08/40/48/1077084048.db2.gz BBCOPRCUZUYASU-IMJJTQAJSA-N -1 0 400.456 2.992 20 30 HFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(OCCOc2ccccc2)c(OCC)c1 ZINC000772717037 1077095620 /nfs/dbraw/zinc/09/56/20/1077095620.db2.gz AERLOLMDNXNRHD-UHFFFAOYSA-N -1 0 405.472 2.789 20 30 HFEDRM C=CCS(=O)(=O)[N-]C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000772718225 1077100850 /nfs/dbraw/zinc/10/08/50/1077100850.db2.gz PHEADTUBIVIUKX-KRWDZBQOSA-N -1 0 406.891 2.833 20 30 HFEDRM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000788355091 1077123889 /nfs/dbraw/zinc/12/38/89/1077123889.db2.gz QQXPUZQUCUKHML-GOEBONIOSA-N -1 0 420.874 2.837 20 30 HFEDRM Cc1c(Br)c(C)n([N-]C(=O)c2ccc(C(F)(F)F)cn2)c(=O)c1C#N ZINC000791173096 1077327971 /nfs/dbraw/zinc/32/79/71/1077327971.db2.gz LWOMAHGRPLACIS-UHFFFAOYSA-N -1 0 415.169 2.897 20 30 HFEDRM CCN(CC)S(=O)(=O)c1ccc(N=NC2CC[C@H](C(=O)[O-])c3ccccc32)nc1 ZINC000788974033 1077380654 /nfs/dbraw/zinc/38/06/54/1077380654.db2.gz CAMPBWMRNLUROJ-KRWDZBQOSA-N -1 0 416.503 2.890 20 30 HFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2CCC(NC(=O)C(C)(C)C)CC2)n1 ZINC000789203152 1077460241 /nfs/dbraw/zinc/46/02/41/1077460241.db2.gz JRDCSOPSCRDJPK-YMAMQOFZSA-N -1 0 405.520 2.892 20 30 HFEDRM Cc1nc(CC2CC2)oc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000789361794 1077537860 /nfs/dbraw/zinc/53/78/60/1077537860.db2.gz NEUFFLNEEUYMGH-UHFFFAOYSA-N -1 0 413.377 2.945 20 30 HFEDRM C#C[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1[O-] ZINC000791737693 1077545073 /nfs/dbraw/zinc/54/50/73/1077545073.db2.gz GRBSNESCONNQJL-AWEZNQCLSA-N -1 0 402.472 2.733 20 30 HFEDRM CC1([N-]C(=S)C(=C(O)C2=CCC(=NC(N)=O)C=C2)[n+]2cc([O-])cc(Cl)c2)CC1 ZINC000789421595 1077552160 /nfs/dbraw/zinc/55/21/60/1077552160.db2.gz XREYLSOJISUNEZ-UHFFFAOYSA-O -1 0 419.914 2.989 20 30 HFEDRM O=C(CCOCC(F)(F)C(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000791766905 1077558042 /nfs/dbraw/zinc/55/80/42/1077558042.db2.gz JRSDTABMLXVXQT-UHFFFAOYSA-N -1 0 411.295 2.817 20 30 HFEDRM N#CC(=C([O-])c1nc(Cl)cs1)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000789405534 1077562665 /nfs/dbraw/zinc/56/26/65/1077562665.db2.gz PWTPVEDONSMUMR-ZDUSSCGKSA-N -1 0 414.878 2.704 20 30 HFEDRM Cc1c(NC(=O)C(C#N)=C([O-])c2nc(Cl)cs2)c(=O)n(-c2ccccc2)n1C ZINC000789406516 1077563010 /nfs/dbraw/zinc/56/30/10/1077563010.db2.gz UWGJFQSOGNWUBN-LBPRGKRZSA-N -1 0 415.862 2.556 20 30 HFEDRM COc1cc(OC2CC2)ccc1C([O-])=C(C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000791892226 1077588829 /nfs/dbraw/zinc/58/88/29/1077588829.db2.gz ZXCPYDIWEOPKJJ-GOSISDBHSA-N -1 0 409.398 2.783 20 30 HFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(I)cc2)CCC1 ZINC000791876871 1077595715 /nfs/dbraw/zinc/59/57/15/1077595715.db2.gz OWIMZMSQAOBFFK-UHFFFAOYSA-N -1 0 405.257 2.843 20 30 HFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCOCC(F)(F)C(F)(F)F)CCCCC1 ZINC000791876828 1077595761 /nfs/dbraw/zinc/59/57/61/1077595761.db2.gz NGOOPVKTJWPZBJ-UHFFFAOYSA-N -1 0 406.373 2.511 20 30 HFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)cc1OC ZINC000789569151 1077649791 /nfs/dbraw/zinc/64/97/91/1077649791.db2.gz FIBUHVFCQPLSDE-UHFFFAOYSA-N -1 0 421.471 2.704 20 30 HFEDRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)c2ccc(C3(C#N)CC3)cc2)cc1OC ZINC000789571245 1077651895 /nfs/dbraw/zinc/65/18/95/1077651895.db2.gz UKJTUIFRMJARNC-UHFFFAOYSA-N -1 0 400.456 2.686 20 30 HFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1C ZINC000792061566 1077668520 /nfs/dbraw/zinc/66/85/20/1077668520.db2.gz LRFMMHOHVALDOF-UHFFFAOYSA-N -1 0 402.520 2.609 20 30 HFEDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c(F)c1 ZINC000792074392 1077680714 /nfs/dbraw/zinc/68/07/14/1077680714.db2.gz CTWAFNDGORBHJB-LJQANCHMSA-N -1 0 401.463 2.621 20 30 HFEDRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1Cl ZINC000789615234 1077684622 /nfs/dbraw/zinc/68/46/22/1077684622.db2.gz GQCMWKXEWBVSSK-GFCCVEGCSA-N -1 0 408.863 2.801 20 30 HFEDRM N#Cc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)NCCCC(=O)[O-])cc2)c(F)c1 ZINC000772797226 1077877472 /nfs/dbraw/zinc/87/74/72/1077877472.db2.gz MSCMLFXXSJPHFU-JXMROGBWSA-N -1 0 416.430 2.737 20 30 HFEDRM CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001170382262 1077964072 /nfs/dbraw/zinc/96/40/72/1077964072.db2.gz GGKBGEGAQXKROJ-CVEARBPZSA-N -1 0 424.546 2.744 20 30 HFEDRM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=Cc1cnnn1Cc1ccccc1 ZINC000792941786 1078022729 /nfs/dbraw/zinc/02/27/29/1078022729.db2.gz RJZNGGYNVVWVNL-UHFFFAOYSA-N -1 0 423.458 2.545 20 30 HFEDRM CCOC(=O)[C@H]1Cc2cccc(F)c2N(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1 ZINC001130584878 1079558433 /nfs/dbraw/zinc/55/84/33/1079558433.db2.gz GISHXOLITDFRET-ZDUSSCGKSA-N -1 0 415.446 2.902 20 30 HFEDRM N#Cc1ccccc1N1CCC(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CC1 ZINC000747337268 1079855356 /nfs/dbraw/zinc/85/53/56/1079855356.db2.gz OJXDKNPDGPBFRT-UHFFFAOYSA-N -1 0 405.483 2.895 20 30 HFEDRM C=CCSCCNC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Br)c1 ZINC000583241186 939789815 /nfs/dbraw/zinc/78/98/15/939789815.db2.gz FUFCTRWQQKEUAE-ZDUSSCGKSA-N -1 0 403.298 2.802 20 30 HFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(C)c2ccc3c(c2)OCCO3)n1 ZINC000746929653 1078066232 /nfs/dbraw/zinc/06/62/32/1078066232.db2.gz XHMSWRKCEYSEDW-CQSZACIVSA-N -1 0 400.456 2.920 20 30 HFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])c1cccc([N+](=O)[O-])c1NC ZINC000793121544 1078070806 /nfs/dbraw/zinc/07/08/06/1078070806.db2.gz DDEJXJATDFSUSC-CYBMUJFWSA-N -1 0 412.402 2.964 20 30 HFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cc(Br)c1C ZINC000793126082 1078072408 /nfs/dbraw/zinc/07/24/08/1078072408.db2.gz UFDQWFQXUXXKLX-ZDUSSCGKSA-N -1 0 412.240 2.531 20 30 HFEDRM Cc1noc(C(F)F)c1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000747102620 1078081307 /nfs/dbraw/zinc/08/13/07/1078081307.db2.gz CCLPZZSEJYMWOB-UHFFFAOYSA-N -1 0 409.292 2.930 20 30 HFEDRM Cc1nc(C#N)c(N2CCC(C(=O)[N-]S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)o1 ZINC000793164278 1078085996 /nfs/dbraw/zinc/08/59/96/1078085996.db2.gz MQPPHZYWVMCTBB-UHFFFAOYSA-N -1 0 422.894 2.538 20 30 HFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CSCc2ccc(Br)cc2F)CC1 ZINC000793198457 1078099022 /nfs/dbraw/zinc/09/90/22/1078099022.db2.gz 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CSc1[n-]c(=O)c(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1C#N ZINC001129786485 1078497156 /nfs/dbraw/zinc/49/71/56/1078497156.db2.gz WOQQWTZICMDTNH-UHFFFAOYSA-N -1 0 420.516 2.710 20 30 HFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000804626292 1078675903 /nfs/dbraw/zinc/67/59/03/1078675903.db2.gz RFWBNTOFKFZJIA-UHFFFAOYSA-N -1 0 401.360 2.524 20 30 HFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000747232258 1078956508 /nfs/dbraw/zinc/95/65/08/1078956508.db2.gz ABJZOTXENNXIPK-UHFFFAOYSA-N -1 0 413.333 2.912 20 30 HFEDRM C[C@@H](CC(=O)Nc1cc(Cl)c([O-])cc1F)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000805257639 1079000687 /nfs/dbraw/zinc/00/06/87/1079000687.db2.gz BEEQEOBTIKDQTJ-VIFPVBQESA-N -1 0 411.842 2.641 20 30 HFEDRM N#Cc1ccc(N2CC[C@H](C(=O)[N-]S(=O)(=O)c3cccc4ncccc43)C2)c(F)c1 ZINC000805872500 1079314066 /nfs/dbraw/zinc/31/40/66/1079314066.db2.gz QGJGDCVQWWFFQK-HNNXBMFYSA-N -1 0 424.457 2.577 20 30 HFEDRM CC1(C(=O)[N-]S(=O)(=O)c2cccnc2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000805843790 1079320838 /nfs/dbraw/zinc/32/08/38/1079320838.db2.gz ZVHKVOBOCGSALV-UHFFFAOYSA-N -1 0 418.906 2.718 20 30 HFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805887730 1079339295 /nfs/dbraw/zinc/33/92/95/1079339295.db2.gz IHOZGMWFFRETRI-UHFFFAOYSA-N -1 0 404.242 2.636 20 30 HFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000805939650 1079342630 /nfs/dbraw/zinc/34/26/30/1079342630.db2.gz MDHLRDSCCQDIIS-UHFFFAOYSA-N -1 0 411.317 2.543 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2OC2CC2)cc1Br ZINC000805940186 1079344287 /nfs/dbraw/zinc/34/42/87/1079344287.db2.gz XOKDFTVCQMYGQT-UHFFFAOYSA-N -1 0 421.272 2.981 20 30 HFEDRM COc1ccc(NC(=S)NN=Cc2cccc(OCCC(=O)[O-])c2)cc1OC ZINC000746680147 1076794065 /nfs/dbraw/zinc/79/40/65/1076794065.db2.gz YQYMFUWHOHAJSH-UHFFFAOYSA-N -1 0 403.460 2.878 20 30 HFEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1)C(=O)[O-] ZINC000746683575 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N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C2(c3ccccc3Br)CC2)c1 ZINC000789364646 1077539460 /nfs/dbraw/zinc/53/94/60/1077539460.db2.gz YJPHLWHEHINZAS-UHFFFAOYSA-N -1 0 419.300 2.999 20 30 HFEDRM CC[C@@H](C)n1ncc(C([O-])=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1C ZINC000791770689 1077547039 /nfs/dbraw/zinc/54/70/39/1077547039.db2.gz DFJBAEQHTOYDJS-RHSMWYFYSA-N -1 0 412.490 2.861 20 30 HFEDRM COc1ccc(C(=O)CCCCCC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000789428552 1077557616 /nfs/dbraw/zinc/55/76/16/1077557616.db2.gz KFFXPLYNJBBMLB-UHFFFAOYSA-N -1 0 406.504 2.968 20 30 HFEDRM C=CC[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2F)CCCN1C(=O)OC(C)(C)C ZINC000791767325 1077557638 /nfs/dbraw/zinc/55/76/38/1077557638.db2.gz ODHOVUVLTJLTNP-IBGZPJMESA-N -1 0 412.483 2.976 20 30 HFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1nnn(Cc2ccc(F)cc2F)c1C ZINC000791767945 1077558310 /nfs/dbraw/zinc/55/83/10/1077558310.db2.gz AIDGTWHJVJNAKU-INIZCTEOSA-N -1 0 403.433 2.932 20 30 HFEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnn(-c2ccccc2)c1Br ZINC000791783336 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/nfs/dbraw/zinc/93/31/71/1077933171.db2.gz OVWNNRVSNSOFSN-UHFFFAOYSA-N -1 0 423.878 2.754 20 30 HFEDRM Cc1cccnc1N=NC(C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000790192752 1077967315 /nfs/dbraw/zinc/96/73/15/1077967315.db2.gz DFXNNZIJRAPQFH-GOSISDBHSA-N -1 0 416.503 2.854 20 30 HFEDRM O=S(=O)([N-]Cc1ccnc(OC(F)F)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000790437671 1078030829 /nfs/dbraw/zinc/03/08/29/1078030829.db2.gz IKZXELPLKFUNTC-UHFFFAOYSA-N -1 0 404.263 2.857 20 30 HFEDRM COc1cc(/C=C2\Cc3nc(Cl)ccc3C2=O)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000806579425 1079809845 /nfs/dbraw/zinc/80/98/45/1079809845.db2.gz GTLJSPYEOBVZTQ-ONNFQVAWSA-N -1 0 404.762 2.938 20 30 HFEDRM COC(=O)COc1ccc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000806561948 1079821856 /nfs/dbraw/zinc/82/18/56/1079821856.db2.gz DVIQZDBUNHWBNL-RQPMMQJISA-N -1 0 411.366 2.985 20 30 HFEDRM CC(C)c1nnc(CCC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000747102619 1078081387 /nfs/dbraw/zinc/08/13/87/1078081387.db2.gz 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2.750 20 30 HFEDRM Cc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000793204626 1078104821 /nfs/dbraw/zinc/10/48/21/1078104821.db2.gz SXPFWCGNHFECFU-UHFFFAOYSA-N -1 0 421.482 2.606 20 30 HFEDRM CCOc1ccc(-c2nc(CC(=O)[N-]S(=O)(=O)CC3(C#N)CC3)cs2)cc1 ZINC000793212493 1078107369 /nfs/dbraw/zinc/10/73/69/1078107369.db2.gz NZNCWKNZBUFDPD-UHFFFAOYSA-N -1 0 405.501 2.501 20 30 HFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)CCCOc2ccc(C#N)cc2OC)c(C)c1 ZINC000793341064 1078128113 /nfs/dbraw/zinc/12/81/13/1078128113.db2.gz FSXJHLSDFIKFLE-UHFFFAOYSA-N -1 0 418.471 2.548 20 30 HFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cnn1C(C)C ZINC000790841914 1078144389 /nfs/dbraw/zinc/14/43/89/1078144389.db2.gz QOTWYEVYIMADQD-UHFFFAOYSA-N -1 0 411.281 2.525 20 30 HFEDRM CCCOc1cccnc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000790838989 1078142119 /nfs/dbraw/zinc/14/21/19/1078142119.db2.gz LCYDOKGVZZIRJU-UHFFFAOYSA-N -1 0 424.276 2.623 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cnccc32)cc1Br 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JKHHFRQOWZESER-WCQYABFASA-N -1 0 415.309 2.721 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3ncccc3c2)cc1Br ZINC000790837089 1078162936 /nfs/dbraw/zinc/16/29/36/1078162936.db2.gz XCPRYYLVCGIVMY-UHFFFAOYSA-N -1 0 416.256 2.988 20 30 HFEDRM CC[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCO1 ZINC000790866867 1078164655 /nfs/dbraw/zinc/16/46/55/1078164655.db2.gz BBGLVHOKGNXQLY-RISCZKNCSA-N -1 0 404.410 2.977 20 30 HFEDRM Cc1noc(C)c1[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790870090 1078166366 /nfs/dbraw/zinc/16/63/66/1078166366.db2.gz UHNMSJOVRUXRGE-MRVPVSSYSA-N -1 0 401.366 2.791 20 30 HFEDRM CCCNc1ccccc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000790869738 1078166699 /nfs/dbraw/zinc/16/66/99/1078166699.db2.gz HGPKNLQBIZTCDX-CQSZACIVSA-N -1 0 400.504 2.964 20 30 HFEDRM Cc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c(C(C)C)n1 ZINC000790862469 1078179097 /nfs/dbraw/zinc/17/90/97/1078179097.db2.gz REPUHAOOBPGFKN-UHFFFAOYSA-N -1 0 412.393 2.918 20 30 HFEDRM CC(C)Oc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)ccn1 ZINC000790862407 1078179439 /nfs/dbraw/zinc/17/94/39/1078179439.db2.gz QBDLLPDKNOWQEA-UHFFFAOYSA-N -1 0 413.377 2.878 20 30 HFEDRM CC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000790862776 1078181209 /nfs/dbraw/zinc/18/12/09/1078181209.db2.gz SZZNWYJCVSQSKJ-UHFFFAOYSA-N -1 0 410.373 2.827 20 30 HFEDRM Cc1ccn2cc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)nc2c1 ZINC000790864174 1078181760 /nfs/dbraw/zinc/18/17/60/1078181760.db2.gz LJTZTXYPWSSDHP-UHFFFAOYSA-N -1 0 408.361 2.652 20 30 HFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)COc1ccc2c(c1)CCC2 ZINC000790863687 1078182069 /nfs/dbraw/zinc/18/20/69/1078182069.db2.gz DOJAQIGSIWEQTJ-UHFFFAOYSA-N -1 0 424.400 2.950 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1F ZINC000793974363 1078350186 /nfs/dbraw/zinc/35/01/86/1078350186.db2.gz UKFCIBTVSWNFND-CQSZACIVSA-N -1 0 402.325 2.820 20 30 HFEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2OC)C1=O ZINC000793986358 1078356973 /nfs/dbraw/zinc/35/69/73/1078356973.db2.gz LGFZNYVDROWBRV-LJQANCHMSA-N -1 0 406.439 2.919 20 30 HFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1=O ZINC000793988257 1078357470 /nfs/dbraw/zinc/35/74/70/1078357470.db2.gz YPUPDJKBKNMRET-IBGZPJMESA-N -1 0 416.438 2.787 20 30 HFEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2nnc(-c3cccc(C#N)c3)o2)c(C)cc1F ZINC000794032422 1078369966 /nfs/dbraw/zinc/36/99/66/1078369966.db2.gz HANKGKHAKLCJOQ-UHFFFAOYSA-N -1 0 416.390 2.643 20 30 HFEDRM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c1 ZINC000794033206 1078370468 /nfs/dbraw/zinc/37/04/68/1078370468.db2.gz LXJJUSSWYONCNX-UHFFFAOYSA-N -1 0 409.851 2.731 20 30 HFEDRM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000747197743 1078619533 /nfs/dbraw/zinc/61/95/33/1078619533.db2.gz MVTIILXXQNNNAD-UHFFFAOYSA-N -1 0 413.333 2.745 20 30 HFEDRM CSc1[n-]c(=O)c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1C#N ZINC001130192194 1079060411 /nfs/dbraw/zinc/06/04/11/1079060411.db2.gz RTCWKXWWSMQANO-SFHVURJKSA-N -1 0 422.510 2.570 20 30 HFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(C)s1 ZINC000805868762 1079310883 /nfs/dbraw/zinc/31/08/83/1079310883.db2.gz LDVSRUVSBULUQT-AWEZNQCLSA-N -1 0 407.492 2.707 20 30 HFEDRM N#Cc1ccc(N2CC[C@@H](C(=O)[N-]S(=O)(=O)c3ccc4c(c3)CCC4)C2)c(F)c1 ZINC000805845292 1079321735 /nfs/dbraw/zinc/32/17/35/1079321735.db2.gz SPXZVGVYNKPEOF-QGZVFWFLSA-N -1 0 413.474 2.517 20 30 HFEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C(=O)c2ccccc2OC2CC2)c1 ZINC000805894410 1079324286 /nfs/dbraw/zinc/32/42/86/1079324286.db2.gz GQLJFVVQSXHHNS-UHFFFAOYSA-N -1 0 421.272 2.981 20 30 HFEDRM O=C(CC(F)(F)C(F)F)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001130417221 1079335759 /nfs/dbraw/zinc/33/57/59/1079335759.db2.gz FSTFIJGQZHMDQD-RITPCOANSA-N -1 0 406.220 2.877 20 30 HFEDRM Cc1nc(CN2CCC(C(=O)[N-]S(=O)(=O)CC3(C#N)CCCCC3)CC2)cs1 ZINC000805917152 1079332936 /nfs/dbraw/zinc/33/29/36/1079332936.db2.gz BKGZSDLIBKEJSZ-UHFFFAOYSA-N -1 0 424.592 2.584 20 30 HFEDRM N#Cc1ccc(CSCC(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000747285021 1079358035 /nfs/dbraw/zinc/35/80/35/1079358035.db2.gz ACOSGDOCLFIWQT-UHFFFAOYSA-N -1 0 415.418 2.710 20 30 HFEDRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000806092284 1079422995 /nfs/dbraw/zinc/42/29/95/1079422995.db2.gz OWMNGIHNALZHEU-UHFFFAOYSA-N -1 0 402.472 2.508 20 30 HFEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1)C(=O)[O-] ZINC000746683574 1076816501 /nfs/dbraw/zinc/81/65/01/1076816501.db2.gz DIUZYWUOLSZSGX-BMSUMIBZSA-N -1 0 403.456 2.685 20 30 HFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000772710528 1077030541 /nfs/dbraw/zinc/03/05/41/1077030541.db2.gz OLFPDDKHHISZKV-UHFFFAOYSA-N -1 0 423.288 2.947 20 30 HFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000772712629 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ZINC000788210641 1077079835 /nfs/dbraw/zinc/07/98/35/1077079835.db2.gz ASRMGUNWMIMNOI-SSDOTTSWSA-N -1 0 403.283 2.680 20 30 HFEDRM COc1cc(/C=C2\CCc3cc(C#N)cnc3C2=O)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000788358607 1077124927 /nfs/dbraw/zinc/12/49/27/1077124927.db2.gz ZSYLUJFCYZJGRL-WLRTZDKTSA-N -1 0 409.354 2.546 20 30 HFEDRM C=CCS(=O)(=O)[N-]C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC000772723574 1077288230 /nfs/dbraw/zinc/28/82/30/1077288230.db2.gz OACUIKJLACHZPP-UHFFFAOYSA-N -1 0 402.303 2.970 20 30 HFEDRM Cc1c(Br)c(C)n([N-]C(=O)c2ccc(Br)o2)c(=O)c1C#N ZINC000791172507 1077327202 /nfs/dbraw/zinc/32/72/02/1077327202.db2.gz DEWZDMPVOVHJCP-UHFFFAOYSA-N -1 0 415.041 2.839 20 30 HFEDRM Cc1noc2nc(C)cc(C(=O)[N-]n3c(C)c(Br)c(C)c(C#N)c3=O)c12 ZINC000791173083 1077328029 /nfs/dbraw/zinc/32/80/29/1077328029.db2.gz LFIYWJUZYDIFKW-UHFFFAOYSA-N -1 0 416.235 2.636 20 30 HFEDRM O=C([O-])[C@H]1CCC(N=Nc2ccc(S(=O)(=O)N3CCCC3)cn2)c2ccccc21 ZINC000788990742 1077374911 /nfs/dbraw/zinc/37/49/11/1077374911.db2.gz AKVLBGFHEDPEJW-KRWDZBQOSA-N -1 0 414.487 2.644 20 30 HFEDRM O=C([O-])CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cnc(-c3ccco3)s2)cc1 ZINC000789130938 1077405594 /nfs/dbraw/zinc/40/55/94/1077405594.db2.gz SNBPUDOVDKHLFO-VMPITWQZSA-N -1 0 418.452 2.662 20 30 HFEDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)c(-c2ccc(Cl)s2)n1 ZINC000789428654 1077557585 /nfs/dbraw/zinc/55/75/85/1077557585.db2.gz TVVDDDLDJHPYGH-UHFFFAOYSA-N -1 0 424.866 2.931 20 30 HFEDRM N#CC(=C([O-])c1nc(Cl)cs1)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000789405533 1077562682 /nfs/dbraw/zinc/56/26/82/1077562682.db2.gz PWTPVEDONSMUMR-CYBMUJFWSA-N -1 0 414.878 2.704 20 30 HFEDRM Cn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)c(-c2ccc(Cl)s2)n1 ZINC000789409147 1077563589 /nfs/dbraw/zinc/56/35/89/1077563589.db2.gz OGYNBCTVOGESGP-UHFFFAOYSA-N -1 0 412.924 2.946 20 30 HFEDRM Cc1c(Br)cccc1CC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000791886107 1077586276 /nfs/dbraw/zinc/58/62/76/1077586276.db2.gz HWQYSRJGJVHSHJ-UHFFFAOYSA-N -1 0 411.252 2.816 20 30 HFEDRM Cc1c(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)nnn1CC1CCCC1 ZINC000789491580 1077593788 /nfs/dbraw/zinc/59/37/88/1077593788.db2.gz KANNEABPVQNUTP-INIZCTEOSA-N -1 0 401.417 2.694 20 30 HFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1ccc(O[C@@H]2CCOC2)cc1 ZINC000789492898 1077594018 /nfs/dbraw/zinc/59/40/18/1077594018.db2.gz XEFNETAAWNMOGE-SJORKVTESA-N -1 0 400.381 2.771 20 30 HFEDRM N#Cc1ccc(OCc2cccc(C(=O)[N-]S(=O)(=O)c3ncccc3F)c2)cc1 ZINC000791947063 1077605275 /nfs/dbraw/zinc/60/52/75/1077605275.db2.gz GIFZZTJSTSKDDX-UHFFFAOYSA-N -1 0 411.414 2.790 20 30 HFEDRM COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)COc2ccccc2C#N)cc1Cl ZINC000789538122 1077632382 /nfs/dbraw/zinc/63/23/82/1077632382.db2.gz QPZFKIQQAOTWOJ-UHFFFAOYSA-N -1 0 415.254 2.758 20 30 HFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1C ZINC000792069595 1077677343 /nfs/dbraw/zinc/67/73/43/1077677343.db2.gz UPOWTAMDSQHROP-UHFFFAOYSA-N -1 0 401.419 2.958 20 30 HFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000792589533 1077924658 /nfs/dbraw/zinc/92/46/58/1077924658.db2.gz UQNGPEFBIDJFMW-CQSZACIVSA-N -1 0 416.831 2.506 20 30 HFEDRM C[C@@]1(C2CC2)NC(=O)N(c2cccc([N-]S(=O)(=O)c3ccccc3C#N)c2)C1=O ZINC000790084452 1077927184 /nfs/dbraw/zinc/92/71/84/1077927184.db2.gz XOFNXYWTQKEWFX-FQEVSTJZSA-N -1 0 410.455 2.584 20 30 HFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1[O-] ZINC000806550332 1079787176 /nfs/dbraw/zinc/78/71/76/1079787176.db2.gz BFYLHUNELKWIJK-FVOVHSBVSA-N -1 0 409.851 2.836 20 30 HFEDRM COc1cc(/C=C\C(=O)c2cccc(-n3ccnn3)c2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000806576095 1079833956 /nfs/dbraw/zinc/83/39/56/1079833956.db2.gz UNEYZUZEBWRIMA-WAYWQWQTSA-N -1 0 424.369 2.544 20 30 HFEDRM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1cnn(CC#N)c1 ZINC000747406386 1080803102 /nfs/dbraw/zinc/80/31/02/1080803102.db2.gz DPPJOEVOVFYYLN-UHFFFAOYSA-N -1 0 405.661 2.632 20 30 HFEDRM C=C(C)COCCNC(=O)N[C@@H](C(=O)[O-])c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000578302222 939753765 /nfs/dbraw/zinc/75/37/65/939753765.db2.gz WKQLRHOMZMCQEL-GOSISDBHSA-N -1 0 404.442 2.646 20 30 HFEDRM CC[C@H](NN=Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1)C(=O)[O-] ZINC000793072334 1078062719 /nfs/dbraw/zinc/06/27/19/1078062719.db2.gz NHIJJHPGSCRCQU-INIZCTEOSA-N -1 0 406.460 2.558 20 30 HFEDRM CCOC(=O)c1cc(C=NNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)on1 ZINC000793028855 1078059627 /nfs/dbraw/zinc/05/96/27/1078059627.db2.gz ZPRGTQLZZMMVOR-UHFFFAOYSA-N -1 0 421.460 2.555 20 30 HFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000793201836 1078093078 /nfs/dbraw/zinc/09/30/78/1078093078.db2.gz SQCDGJFKFLVRTE-UHFFFAOYSA-N -1 0 420.494 2.962 20 30 HFEDRM CC(C)(C)Cc1nc(-c2cccc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)c2)no1 ZINC000793202689 1078093316 /nfs/dbraw/zinc/09/33/16/1078093316.db2.gz ALEYGZRVRDCZDY-UHFFFAOYSA-N -1 0 402.476 2.689 20 30 HFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000793211991 1078107110 /nfs/dbraw/zinc/10/71/10/1078107110.db2.gz IISNFASGTFTDCS-UHFFFAOYSA-N -1 0 413.293 2.552 20 30 HFEDRM COc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1Cl ZINC000793304129 1078123301 /nfs/dbraw/zinc/12/33/01/1078123301.db2.gz PWWAVQBSNKOAJX-UHFFFAOYSA-N -1 0 419.768 2.753 20 30 HFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(F)c(S(C)(=O)=O)c1)c1ccccc1 ZINC000793281880 1078126991 /nfs/dbraw/zinc/12/69/91/1078126991.db2.gz VELWWWULEIBVAL-DOTOQJQBSA-N -1 0 402.447 2.819 20 30 HFEDRM CS(=O)(=O)c1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)ccc1F ZINC000793281155 1078127385 /nfs/dbraw/zinc/12/73/85/1078127385.db2.gz RCBZSCPQWRJMGS-CQSZACIVSA-N -1 0 408.838 2.521 20 30 HFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](Oc2ccccc2C#N)C(C)C)c(C)c1 ZINC000793341014 1078128125 /nfs/dbraw/zinc/12/81/25/1078128125.db2.gz FITDKNYPYLBJHI-LJQANCHMSA-N -1 0 402.472 2.784 20 30 HFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)ccc1[N+](=O)[O-] ZINC000790838373 1078141069 /nfs/dbraw/zinc/14/10/69/1078141069.db2.gz BFHMYCIVUVXVJF-UHFFFAOYSA-N -1 0 424.232 2.656 20 30 HFEDRM CC(=O)CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000790839445 1078141608 /nfs/dbraw/zinc/14/16/08/1078141608.db2.gz NEDBFDOBHMTRNF-UHFFFAOYSA-N -1 0 401.282 2.521 20 30 HFEDRM Cc1nc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c(C)s1 ZINC000790839067 1078142102 /nfs/dbraw/zinc/14/21/02/1078142102.db2.gz KQZUYRYJCOVOAV-UHFFFAOYSA-N -1 0 400.279 2.513 20 30 HFEDRM CC[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)CCO1 ZINC000790839089 1078142240 /nfs/dbraw/zinc/14/22/40/1078142240.db2.gz MAVSEICPPZSMIM-YPMHNXCESA-N -1 0 415.309 2.721 20 30 HFEDRM COc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000790838721 1078142343 /nfs/dbraw/zinc/14/23/43/1078142343.db2.gz GBQDYYLQYRIREW-LLVKDONJSA-N -1 0 423.288 2.938 20 30 HFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cccc1[N+](=O)[O-] ZINC000790838940 1078142358 /nfs/dbraw/zinc/14/23/58/1078142358.db2.gz LAHKCUCHLSJHAG-UHFFFAOYSA-N -1 0 424.232 2.656 20 30 HFEDRM CC(=O)C(C)(C)CCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000790839981 1078142903 /nfs/dbraw/zinc/14/29/03/1078142903.db2.gz RZVSLZKCJMZQTN-UHFFFAOYSA-N -1 0 401.282 2.521 20 30 HFEDRM C#CC[C@@H](Cc1ccccc1)OC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1 ZINC000793373712 1078152679 /nfs/dbraw/zinc/15/26/79/1078152679.db2.gz SATYQNXMIWFRTG-KRWDZBQOSA-N -1 0 417.483 2.867 20 30 HFEDRM C[C@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790862218 1078179431 /nfs/dbraw/zinc/17/94/31/1078179431.db2.gz MJOSMRMBJZRIOC-JTQLQIEISA-N -1 0 416.352 2.989 20 30 HFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)Cc1cc(F)ccc1F ZINC000790862875 1078181173 /nfs/dbraw/zinc/18/11/73/1078181173.db2.gz WEPRSCKFQDTIJB-UHFFFAOYSA-N -1 0 404.316 2.903 20 30 HFEDRM Cc1nc(CCC(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cs1 ZINC000790865552 1078182091 /nfs/dbraw/zinc/18/20/91/1078182091.db2.gz ZBMRVKBQMZNEQT-UHFFFAOYSA-N -1 0 403.407 2.780 20 30 HFEDRM N#Cc1ccc(CN2CCCN(C(=O)CSc3n[n-]c(=S)s3)CC2)cc1 ZINC000747201436 1078670076 /nfs/dbraw/zinc/67/00/76/1078670076.db2.gz CXUOZWJUMCTPFG-UHFFFAOYSA-N -1 0 405.574 2.525 20 30 HFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000805121350 1078910853 /nfs/dbraw/zinc/91/08/53/1078910853.db2.gz ONLBHIVWBAHGSQ-CQSZACIVSA-N -1 0 406.332 2.867 20 30 HFEDRM N#Cc1ccc(N2CC[C@@H](C(=O)[N-]S(=O)(=O)c3ccc(Cl)s3)C2)c(F)c1 ZINC000805841812 1079278537 /nfs/dbraw/zinc/27/85/37/1079278537.db2.gz NHBGVBCALYGKGL-LLVKDONJSA-N -1 0 413.883 2.744 20 30 HFEDRM N#Cc1ccc(N2CC[C@H](C(=O)[N-]S(=O)(=O)c3cccc(Cl)c3)C2)c(F)c1 ZINC000805843245 1079320761 /nfs/dbraw/zinc/32/07/61/1079320761.db2.gz GWCVZEFLSGXKFO-ZDUSSCGKSA-N -1 0 407.854 2.682 20 30 HFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)c1cc(F)c(C(F)(F)F)cc1F ZINC000805917910 1079333473 /nfs/dbraw/zinc/33/34/73/1079333473.db2.gz CTJNWWIHLIQILI-UHFFFAOYSA-N -1 0 420.315 2.983 20 30 HFEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1ccccc1 ZINC000806116836 1079445031 /nfs/dbraw/zinc/44/50/31/1079445031.db2.gz XAQYOLDIWDMLSF-ZDUSSCGKSA-N -1 0 412.309 2.656 20 30 HFEDRM CN(C)S(=O)(=O)c1ccc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)cc1 ZINC000746683458 1076815403 /nfs/dbraw/zinc/81/54/03/1076815403.db2.gz LSMQUSNBVYDNJO-WDZFZDKYSA-N -1 0 403.456 2.687 20 30 HFEDRM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1 ZINC000788370025 1077130085 /nfs/dbraw/zinc/13/00/85/1077130085.db2.gz PWJMCHJENBNPDG-WBVHZDCISA-N -1 0 406.504 2.727 20 30 HFEDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)c(OCC2CC2)c1 ZINC000788373992 1077132101 /nfs/dbraw/zinc/13/21/01/1077132101.db2.gz DPUCQTLMFNEPBS-UHFFFAOYSA-N -1 0 404.419 2.613 20 30 HFEDRM CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1)c1cn2ccccc2n1 ZINC000788425051 1077141708 /nfs/dbraw/zinc/14/17/08/1077141708.db2.gz OVTFNKVRAZQWKK-UHFFFAOYSA-N -1 0 407.459 2.761 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1Br ZINC000788443313 1077161703 /nfs/dbraw/zinc/16/17/03/1077161703.db2.gz VORVGOJRZWUSKK-ZDUSSCGKSA-N -1 0 415.309 2.880 20 30 HFEDRM Cc1ccc(S(=O)(=O)NN=C2CC[C@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000788940844 1077371726 /nfs/dbraw/zinc/37/17/26/1077371726.db2.gz WFWJQSZFDUKNJL-HNNXBMFYSA-N -1 0 403.416 2.548 20 30 HFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCN(c4ccc(O)cc4)CC3)cc2[n-]c1=S ZINC000789287019 1077496460 /nfs/dbraw/zinc/49/64/60/1077496460.db2.gz QDEPDYSHHFFEPK-UHFFFAOYSA-N -1 0 422.510 2.539 20 30 HFEDRM C#C[C@H](CCC)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000791750051 1077551726 /nfs/dbraw/zinc/55/17/26/1077551726.db2.gz KQHYEBOPDKYXRZ-CQSZACIVSA-N -1 0 401.444 2.927 20 30 HFEDRM O=C(CCOCC(F)(F)C(F)F)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000791766065 1077557327 /nfs/dbraw/zinc/55/73/27/1077557327.db2.gz DNMYTIFGXRETDT-UHFFFAOYSA-N -1 0 411.295 2.817 20 30 HFEDRM C=CC[C@@]1(C(=O)[N-]S(=O)(=O)c2cc(C)ccn2)CCCN1C(=O)OC(C)(C)C ZINC000791807932 1077562328 /nfs/dbraw/zinc/56/23/28/1077562328.db2.gz LIMPUSRCDRHDLZ-IBGZPJMESA-N -1 0 409.508 2.541 20 30 HFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1cnnn1-c1cccc(F)c1 ZINC000789405871 1077562631 /nfs/dbraw/zinc/56/26/31/1077562631.db2.gz UEQWGIKPSYRLRH-HNNXBMFYSA-N -1 0 423.404 2.733 20 30 HFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1cnn(C)c1Br ZINC000791785014 1077569148 /nfs/dbraw/zinc/56/91/48/1077569148.db2.gz XWQLLEHMCQCHLS-JTQLQIEISA-N -1 0 421.251 2.510 20 30 HFEDRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccc2C#N)cc1Cl ZINC000789619639 1077690498 /nfs/dbraw/zinc/69/04/98/1077690498.db2.gz JVOUTKRSOQNDNN-LBPRGKRZSA-N -1 0 408.863 2.801 20 30 HFEDRM COc1cc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)ccc1S(C)(=O)=O ZINC000747062233 1077774931 /nfs/dbraw/zinc/77/49/31/1077774931.db2.gz UNJRKMDLOUQZQU-UITAMQMPSA-N -1 0 404.440 2.848 20 30 HFEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc4c(=O)cc[nH]c4c3)cc2[n-]c1=S ZINC000790064800 1077936269 /nfs/dbraw/zinc/93/62/69/1077936269.db2.gz ZPKARVXUCJJTIU-UHFFFAOYSA-N -1 0 404.451 2.965 20 30 HFEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cc([C@H]4CCCO4)nn3C)cc2[n-]c1=S ZINC000790128617 1077951173 /nfs/dbraw/zinc/95/11/73/1077951173.db2.gz LLYUVKQSVVIBRB-MRXNPFEDSA-N -1 0 411.487 2.709 20 30 HFEDRM Cc1cccnc1N=NC(C)c1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1 ZINC000790193374 1077967542 /nfs/dbraw/zinc/96/75/42/1077967542.db2.gz FAMYNWRCSBFYBB-UHFFFAOYSA-N -1 0 404.492 2.711 20 30 HFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1nc(C)n(C)c1Br ZINC000806637717 1079896128 /nfs/dbraw/zinc/89/61/28/1079896128.db2.gz RDGLWJAYDIIRSM-GFCCVEGCSA-N -1 0 424.361 2.973 20 30 HFEDRM CNS(=O)(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)ccc1[O-] ZINC000807384538 1080580508 /nfs/dbraw/zinc/58/05/08/1080580508.db2.gz BMTQXNCIHQVERC-UHFFFAOYSA-N -1 0 424.482 2.832 20 30 HFEDRM C=C(Br)CNC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000797716265 939177228 /nfs/dbraw/zinc/17/72/28/939177228.db2.gz VUUOVZWJRRJKDX-ZDUSSCGKSA-N -1 0 406.074 2.957 20 30 HFEDRM CC(C)(C)c1cc(NC(=O)C(=O)[N-]O[C@@H]2CCCCO2)n(-c2ccc(C#N)cc2)n1 ZINC000793053165 1078057441 /nfs/dbraw/zinc/05/74/41/1078057441.db2.gz 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ZINC001129530933 1078522454 /nfs/dbraw/zinc/52/24/54/1078522454.db2.gz RJOHIROEGBFPAB-UHFFFAOYSA-N -1 0 417.516 2.561 20 30 HFEDRM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)cc1 ZINC000760406496 1078685891 /nfs/dbraw/zinc/68/58/91/1078685891.db2.gz QHROYOMLVYSZNS-YOEHRIQHSA-N -1 0 403.504 2.815 20 30 HFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000805121349 1078910843 /nfs/dbraw/zinc/91/08/43/1078910843.db2.gz ONLBHIVWBAHGSQ-AWEZNQCLSA-N -1 0 406.332 2.867 20 30 HFEDRM COc1cc(Br)c(S(=O)(=O)[N-]C(=O)CCCCCC#N)cc1OC ZINC000805845877 1079322825 /nfs/dbraw/zinc/32/28/25/1079322825.db2.gz RMUUZUNWCZHQCA-UHFFFAOYSA-N -1 0 419.297 2.745 20 30 HFEDRM CCc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000805919187 1079334167 /nfs/dbraw/zinc/33/41/67/1079334167.db2.gz HSSGJGUTXQMLQC-GOSISDBHSA-N -1 0 415.490 2.732 20 30 HFEDRM CCc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000805919188 1079334304 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Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(-c2ccoc2)n1 ZINC000789387482 1077533129 /nfs/dbraw/zinc/53/31/29/1077533129.db2.gz BIRIJSWOIHHICM-UHFFFAOYSA-N -1 0 424.360 2.689 20 30 HFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cccnc2OCc2ccccc2F)c1 ZINC000791766141 1077557380 /nfs/dbraw/zinc/55/73/80/1077557380.db2.gz GRHHENCZWQIQMB-UHFFFAOYSA-N -1 0 411.414 2.790 20 30 HFEDRM C=CC[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2F)CCCN1C(=O)OC(C)(C)C ZINC000791767327 1077557696 /nfs/dbraw/zinc/55/76/96/1077557696.db2.gz ODHOVUVLTJLTNP-LJQANCHMSA-N -1 0 412.483 2.976 20 30 HFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCOCC(F)(F)C(F)(F)F)c(F)cc1F ZINC000791829013 1077576621 /nfs/dbraw/zinc/57/66/21/1077576621.db2.gz BMOSLBBELAYKIP-UHFFFAOYSA-N -1 0 411.295 2.682 20 30 HFEDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000789489493 1077592387 /nfs/dbraw/zinc/59/23/87/1077592387.db2.gz PAJPJRPGFOWFGF-SFHVURJKSA-N -1 0 417.443 2.683 20 30 HFEDRM 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ZINC000791944849 1077604021 /nfs/dbraw/zinc/60/40/21/1077604021.db2.gz SJMDYKQDKFZRIP-UHFFFAOYSA-N -1 0 411.414 2.790 20 30 HFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(C)cc2C)nn1-c1cccc(C#N)c1 ZINC000792055676 1077660364 /nfs/dbraw/zinc/66/03/64/1077660364.db2.gz HZRBTAXGSGJNGM-UHFFFAOYSA-N -1 0 408.483 2.929 20 30 HFEDRM COc1ccc(-c2nc(SC[C@@H]3CCCS(=O)(=O)C3)[n-]c(=O)c2C#N)cc1 ZINC000789587845 1077671095 /nfs/dbraw/zinc/67/10/95/1077671095.db2.gz IRFPOHOIYVVNFU-LBPRGKRZSA-N -1 0 405.501 2.646 20 30 HFEDRM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c1OC ZINC000789736896 1077772106 /nfs/dbraw/zinc/77/21/06/1077772106.db2.gz HNFAZMNYJCXAHO-UHFFFAOYSA-N -1 0 423.878 2.874 20 30 HFEDRM CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)ccc1OC ZINC000789949998 1077865290 /nfs/dbraw/zinc/86/52/90/1077865290.db2.gz CIJUNSBEXZVVJK-CJNGLKHVSA-N -1 0 415.412 2.695 20 30 HFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CCC(=O)OC(C)C)cc2[n-]c1=S ZINC000792597784 1077920119 /nfs/dbraw/zinc/92/01/19/1077920119.db2.gz HBWCXNZQRKRRMV-ZDUSSCGKSA-N -1 0 403.504 2.721 20 30 HFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000790067272 1077920326 /nfs/dbraw/zinc/92/03/26/1077920326.db2.gz CHTAPQCPQJAOMT-UHFFFAOYSA-N -1 0 422.890 2.863 20 30 HFEDRM C#CCn1ccc(CN(CC)C(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)n1 ZINC000790110824 1077940255 /nfs/dbraw/zinc/94/02/55/1077940255.db2.gz YABHIVLJSRUVLZ-UHFFFAOYSA-N -1 0 410.499 2.703 20 30 HFEDRM CC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)ccc1Br ZINC000792661953 1077963191 /nfs/dbraw/zinc/96/31/91/1077963191.db2.gz PIVALWOGTXGPQD-UHFFFAOYSA-N -1 0 409.265 2.925 20 30 HFEDRM CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001170382267 1077964041 /nfs/dbraw/zinc/96/40/41/1077964041.db2.gz GGKBGEGAQXKROJ-HZPDHXFCSA-N -1 0 424.546 2.744 20 30 HFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1[O-] ZINC000806550340 1079787241 /nfs/dbraw/zinc/78/72/41/1079787241.db2.gz BFYLHUNELKWIJK-VAODSVERSA-N -1 0 409.851 2.836 20 30 HFEDRM CC(C)(CCC#N)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000806566684 1079825542 /nfs/dbraw/zinc/82/55/42/1079825542.db2.gz NUFIXUKHESIHFZ-UHFFFAOYSA-N -1 0 407.261 2.895 20 30 HFEDRM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c2)n(CCC#N)n1 ZINC000747368599 1080221120 /nfs/dbraw/zinc/22/11/20/1080221120.db2.gz VCWVAGWXTMPBAT-UHFFFAOYSA-N -1 0 415.397 2.927 20 30 HFEDRM CNS(=O)(=O)c1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)ccc1[O-] ZINC000807384870 1080580289 /nfs/dbraw/zinc/58/02/89/1080580289.db2.gz TYPKAJKFMRXLFH-UHFFFAOYSA-N -1 0 406.463 2.952 20 30 HFEDRM N#CCn1cc([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)cn1 ZINC000747407230 1080798707 /nfs/dbraw/zinc/79/87/07/1080798707.db2.gz PBVLJQBCWLTCCS-UHFFFAOYSA-N -1 0 409.187 2.989 20 30 HFEDRM C[C@](NC(=O)COc1ccc(C#N)cc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000776650942 939097660 /nfs/dbraw/zinc/09/76/60/939097660.db2.gz ICHIBZSHKRLJAD-GOSISDBHSA-N -1 0 403.232 2.816 20 30 HFEDRM C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000431853316 939162002 /nfs/dbraw/zinc/16/20/02/939162002.db2.gz GPBKVINXGQKDQD-HXUWFJFHSA-N -1 0 424.478 2.860 20 30 HFEDRM C=CCc1cc(CNC(=O)N[C@]2(C(=O)[O-])C[C@@H](OCC)C2(C)C)cc(OC)c1OC ZINC000684728375 939873540 /nfs/dbraw/zinc/87/35/40/939873540.db2.gz GMNAGOGIZDVFSY-VGSWGCGISA-N -1 0 420.506 2.890 20 30 HFEDRM N#Cc1ccc(CS(=O)(=O)CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000746919871 1078060241 /nfs/dbraw/zinc/06/02/41/1078060241.db2.gz CBPXULBQHSODRJ-UHFFFAOYSA-N -1 0 412.389 2.740 20 30 HFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])c1ccc(-c2nc[nH]n2)cc1 ZINC000793122128 1078070931 /nfs/dbraw/zinc/07/09/31/1078070931.db2.gz PKOVWOQNCYYPQU-OAHLLOKOSA-N -1 0 405.414 2.799 20 30 HFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000793201615 1078093071 /nfs/dbraw/zinc/09/30/71/1078093071.db2.gz ORXQEVCVRKOGDJ-UHFFFAOYSA-N -1 0 413.286 2.851 20 30 HFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)Cc2csc3ccc(Br)cc23)CC1 ZINC000793195413 1078098237 /nfs/dbraw/zinc/09/82/37/1078098237.db2.gz LIEOJIFIQSMPFT-UHFFFAOYSA-N -1 0 413.318 2.956 20 30 HFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CC1 ZINC000793204084 1078104530 /nfs/dbraw/zinc/10/45/30/1078104530.db2.gz FEKAUSCELRSPMZ-LJQANCHMSA-N -1 0 408.483 2.744 20 30 HFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CC1 ZINC000793204843 1078104671 /nfs/dbraw/zinc/10/46/71/1078104671.db2.gz RJDKVDSDVQUFNH-UHFFFAOYSA-N -1 0 404.469 2.550 20 30 HFEDRM COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)CCc2ccc(C#N)cc2)cc1OC ZINC000790812528 1078126083 /nfs/dbraw/zinc/12/60/83/1078126083.db2.gz IVHJJLCQDBPTAV-UHFFFAOYSA-N -1 0 408.863 2.667 20 30 HFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)Cc2cc(F)ccc2Br)c1 ZINC000790772985 1078129901 /nfs/dbraw/zinc/12/99/01/1078129901.db2.gz NQEHGDPVWMHPPZ-UHFFFAOYSA-N -1 0 411.252 2.649 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](F)Cc2ccccc2)cc1Br ZINC000790837035 1078140443 /nfs/dbraw/zinc/14/04/43/1078140443.db2.gz VQSXWIKPOWAYNR-OAHLLOKOSA-N -1 0 411.252 2.706 20 30 HFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc([N+](=O)[O-])c1 ZINC000790838014 1078140633 /nfs/dbraw/zinc/14/06/33/1078140633.db2.gz BQQRDULUHDJITM-UHFFFAOYSA-N -1 0 424.232 2.656 20 30 HFEDRM CO[C@@](C)(C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccccc1 ZINC000790838518 1078141077 /nfs/dbraw/zinc/14/10/77/1078141077.db2.gz GPSPDQZMCVYAGJ-QGZVFWFLSA-N -1 0 423.288 2.687 20 30 HFEDRM CC[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)CCO1 ZINC000790839082 1078142018 /nfs/dbraw/zinc/14/20/18/1078142018.db2.gz MAVSEICPPZSMIM-DGCLKSJQSA-N -1 0 415.309 2.721 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc3c(c2)CCC3)cc1Br ZINC000790841113 1078143489 /nfs/dbraw/zinc/14/34/89/1078143489.db2.gz ATTOITWCQBVGOL-UHFFFAOYSA-N -1 0 419.300 2.857 20 30 HFEDRM CC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)ccc1C ZINC000790841082 1078143496 /nfs/dbraw/zinc/14/34/96/1078143496.db2.gz AFWRRTNTTSTKAY-UHFFFAOYSA-N -1 0 421.272 2.951 20 30 HFEDRM C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000793363723 1078148669 /nfs/dbraw/zinc/14/86/69/1078148669.db2.gz OFJDKXUJYPAEHK-UHFFFAOYSA-N -1 0 416.352 2.888 20 30 HFEDRM CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000790836241 1078162116 /nfs/dbraw/zinc/16/21/16/1078162116.db2.gz MLLKJXBEJVICKN-UHFFFAOYSA-N -1 0 413.274 2.704 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccnn2C2CCCC2)cc1Br ZINC000790836951 1078163153 /nfs/dbraw/zinc/16/31/53/1078163153.db2.gz SSYCRDOEPKNTHD-UHFFFAOYSA-N -1 0 423.292 2.751 20 30 HFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC(F)F)C(=O)CS3)cc1C#N ZINC000793430798 1078170287 /nfs/dbraw/zinc/17/02/87/1078170287.db2.gz LZRXIYURFYLQDF-UHFFFAOYSA-N -1 0 424.454 2.766 20 30 HFEDRM C[C@@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000790861587 1078178532 /nfs/dbraw/zinc/17/85/32/1078178532.db2.gz KKHQQHVUGBTGIY-RISCZKNCSA-N -1 0 404.410 2.977 20 30 HFEDRM Cc1ncc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000790861030 1078178909 /nfs/dbraw/zinc/17/89/09/1078178909.db2.gz GFIXGHIFXRCQCF-HWKANZROSA-N -1 0 401.391 2.860 20 30 HFEDRM COCCC1(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCCC1 ZINC000790862478 1078179401 /nfs/dbraw/zinc/17/94/01/1078179401.db2.gz RKUZTQDAALFXJN-UHFFFAOYSA-N -1 0 404.410 2.979 20 30 HFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)C[C@H]1C(=O)Nc2ccccc21 ZINC000790862588 1078179421 /nfs/dbraw/zinc/17/94/21/1078179421.db2.gz PHXFEUVQUJUHQJ-CYBMUJFWSA-N -1 0 423.372 2.508 20 30 HFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790865399 1078182108 /nfs/dbraw/zinc/18/21/08/1078182108.db2.gz XPAXVZAORFCTHC-LLVKDONJSA-N -1 0 423.372 2.721 20 30 HFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2C(F)(F)F)cc1C#N ZINC000794018627 1078361907 /nfs/dbraw/zinc/36/19/07/1078361907.db2.gz FWDGJRHUQYKJOK-UHFFFAOYSA-N -1 0 408.365 2.662 20 30 HFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1=O ZINC000805081318 1078911672 /nfs/dbraw/zinc/91/16/72/1078911672.db2.gz HFHFTVAVVXQSHY-INIZCTEOSA-N -1 0 420.894 2.738 20 30 HFEDRM N#Cc1ccc(N2CC[C@H](C(=O)[N-]S(=O)(=O)c3ccc(Cl)cc3)C2)c(F)c1 ZINC000805841733 1079278558 /nfs/dbraw/zinc/27/85/58/1079278558.db2.gz LWINQKPFKFXHNA-ZDUSSCGKSA-N -1 0 407.854 2.682 20 30 HFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1Cl ZINC000805890148 1079322842 /nfs/dbraw/zinc/32/28/42/1079322842.db2.gz BRGMUCJOABEOOH-AWEZNQCLSA-N -1 0 421.881 2.991 20 30 HFEDRM CC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000805915844 1079330737 /nfs/dbraw/zinc/33/07/37/1079330737.db2.gz NRUCRGGNTWCEGL-UHFFFAOYSA-N -1 0 420.922 2.568 20 30 HFEDRM O=C([N-]S(=O)(=O)c1cnn(CC(F)F)c1)c1cc(F)c(C(F)(F)F)cc1F ZINC000805923570 1079354293 /nfs/dbraw/zinc/35/42/93/1079354293.db2.gz KQBYEBAMOQKKDN-UHFFFAOYSA-N -1 0 419.278 2.564 20 30 HFEDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(C)c1 ZINC000805927484 1079358355 /nfs/dbraw/zinc/35/83/55/1079358355.db2.gz DNKGEGOAPYVBAX-KRWDZBQOSA-N -1 0 415.490 2.787 20 30 HFEDRM O=C([O-])CCOc1cccc(C=Nn2cnc3ccc(Br)cc3c2=O)c1 ZINC000746682660 1076816185 /nfs/dbraw/zinc/81/61/85/1076816185.db2.gz PGSGMQGGTUMVGM-UHFFFAOYSA-N -1 0 416.231 2.895 20 30 HFEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000746687101 1076840999 /nfs/dbraw/zinc/84/09/99/1076840999.db2.gz FCVSNFFXBSTNSA-UHFFFAOYSA-N -1 0 410.455 2.808 20 30 HFEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cnn(CC(F)(F)F)c2)C1=O ZINC000787992740 1077020624 /nfs/dbraw/zinc/02/06/24/1077020624.db2.gz GTCRDCYTWQGHGE-MRXNPFEDSA-N -1 0 403.405 2.761 20 30 HFEDRM Cc1nn2c([nH]c3ccccc3c2=O)c1C=NN=c1[n-]nc(-c2ccccn2)s1 ZINC000788025855 1077034295 /nfs/dbraw/zinc/03/42/95/1077034295.db2.gz DGRFBEGRUONUTC-UHFFFAOYSA-N -1 0 402.443 2.844 20 30 HFEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)c1ccccc1 ZINC000788053108 1077042896 /nfs/dbraw/zinc/04/28/96/1077042896.db2.gz QWFINUAAJNWZKA-LBPRGKRZSA-N -1 0 409.410 2.916 20 30 HFEDRM N#CCOc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000788180265 1077067866 /nfs/dbraw/zinc/06/78/66/1077067866.db2.gz MUPJCRNAWWFKOT-UHFFFAOYSA-N -1 0 423.372 2.527 20 30 HFEDRM COc1cc(/C=C2/CCc3cc(C#N)cnc3C2=O)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000788358606 1077124900 /nfs/dbraw/zinc/12/49/00/1077124900.db2.gz ZSYLUJFCYZJGRL-ACAGNQJTSA-N -1 0 409.354 2.546 20 30 HFEDRM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1 ZINC000788369378 1077130535 /nfs/dbraw/zinc/13/05/35/1077130535.db2.gz PWJMCHJENBNPDG-DOTOQJQBSA-N -1 0 406.504 2.727 20 30 HFEDRM COc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)cnc1Br ZINC000788378920 1077134665 /nfs/dbraw/zinc/13/46/65/1077134665.db2.gz STGKHORPRUSCGS-LBPRGKRZSA-N -1 0 424.201 2.770 20 30 HFEDRM CC(=NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cc(C(=O)[O-])ccc1C ZINC000788434296 1077145817 /nfs/dbraw/zinc/14/58/17/1077145817.db2.gz RAPUBBUGGBSOGL-UHFFFAOYSA-N -1 0 417.487 2.550 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1Br ZINC000788441626 1077148686 /nfs/dbraw/zinc/14/86/86/1077148686.db2.gz MNUYGJULUUMSQE-UHFFFAOYSA-N -1 0 421.272 2.766 20 30 HFEDRM C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000788409614 1077154026 /nfs/dbraw/zinc/15/40/26/1077154026.db2.gz ICCYNAXQTNJUIB-SCLBCKFNSA-N -1 0 419.927 2.787 20 30 HFEDRM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1 ZINC000788415558 1077158175 /nfs/dbraw/zinc/15/81/75/1077158175.db2.gz QGNAAWWAJIOYMC-LBPRGKRZSA-N -1 0 408.863 2.744 20 30 HFEDRM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1 ZINC000788417513 1077159345 /nfs/dbraw/zinc/15/93/45/1077159345.db2.gz VFTWLANTNHMTPB-SNVBAGLBSA-N -1 0 414.892 2.806 20 30 HFEDRM CC[C@]1(C)NC(=O)N(N=Cc2ccc(Cl)c(I)c2[O-])C1=O ZINC000788705112 1077265225 /nfs/dbraw/zinc/26/52/25/1077265225.db2.gz REFHKMKVFGRYMG-ZDUSSCGKSA-N -1 0 421.622 2.705 20 30 HFEDRM O=C([O-])c1ccc([N-][NH+]=Cc2ccc(Br)cc2N2CCOCC2)nc1 ZINC000788721335 1077271311 /nfs/dbraw/zinc/27/13/11/1077271311.db2.gz BNQQNHULORYQIX-UHFFFAOYSA-N -1 0 405.252 2.825 20 30 HFEDRM COC(=O)COc1ccc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1[N+](=O)[O-] ZINC000788734738 1077285442 /nfs/dbraw/zinc/28/54/42/1077285442.db2.gz XXFCODLRWCBMSI-GHXNOFRVSA-N -1 0 415.354 2.959 20 30 HFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000772724522 1077299612 /nfs/dbraw/zinc/29/96/12/1077299612.db2.gz ZZTXHFYXZGJLGW-UHFFFAOYSA-N -1 0 423.288 2.947 20 30 HFEDRM N#Cc1c(C(F)(F)F)cc(=O)[n-]c1SCC(=O)OCCO[C@H]1CCCCO1 ZINC000791538373 1077458423 /nfs/dbraw/zinc/45/84/23/1077458423.db2.gz UZKWOCKUCVLMHZ-AWEZNQCLSA-N -1 0 406.382 2.856 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)c3ccccc32)cc1C(F)(F)F ZINC000789331274 1077524432 /nfs/dbraw/zinc/52/44/32/1077524432.db2.gz RLQPKLVFSJMVLK-CQSZACIVSA-N -1 0 408.357 2.752 20 30 HFEDRM C=CC[C@@]1(C(=O)[N-]S(=O)(=O)c2cccs2)CCCN1C(=O)OC(C)(C)C ZINC000791756345 1077553673 /nfs/dbraw/zinc/55/36/73/1077553673.db2.gz GLDKOMYISIJYNP-KRWDZBQOSA-N -1 0 400.522 2.899 20 30 HFEDRM 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/nfs/dbraw/zinc/06/62/39/1078066239.db2.gz ILUHTOBTZUDXBQ-UHFFFAOYSA-N -1 0 417.374 2.608 20 30 HFEDRM COc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1Cl ZINC000793112506 1078082713 /nfs/dbraw/zinc/08/27/13/1078082713.db2.gz NJZSASNXHRSRFE-UHFFFAOYSA-N -1 0 419.768 2.753 20 30 HFEDRM Cc1nn(-c2ccccc2)c2sc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)cc12 ZINC000793195921 1078098091 /nfs/dbraw/zinc/09/80/91/1078098091.db2.gz CELZINZXFUWILS-UHFFFAOYSA-N -1 0 400.485 2.759 20 30 HFEDRM CCOc1ccc(Nc2ncccc2C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1 ZINC000793195867 1078098128 /nfs/dbraw/zinc/09/81/28/1078098128.db2.gz GVMZPICGHIRYJM-UHFFFAOYSA-N -1 0 400.460 2.587 20 30 HFEDRM CC(C)n1c2ccc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)cc2nc1C(F)(F)F ZINC000793195310 1078098258 /nfs/dbraw/zinc/09/82/58/1078098258.db2.gz BQDNNRLRVGWWJN-UHFFFAOYSA-N -1 0 414.409 2.999 20 30 HFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000793203989 1078104175 /nfs/dbraw/zinc/10/41/75/1078104175.db2.gz NFBUZZVUEGGXPD-UHFFFAOYSA-N 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C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000747117013 1078162689 /nfs/dbraw/zinc/16/26/89/1078162689.db2.gz KCHDEQNEPBMSDN-NSHDSACASA-N -1 0 415.899 2.520 20 30 HFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)c1cc2ccccc2oc1=O ZINC000790864678 1078163126 /nfs/dbraw/zinc/16/31/26/1078163126.db2.gz QHTTZSZZPXJNCB-UHFFFAOYSA-N -1 0 422.340 2.802 20 30 HFEDRM CO[C@](C)(C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccccc1 ZINC000790868158 1078165037 /nfs/dbraw/zinc/16/50/37/1078165037.db2.gz IWBDXORDUGLFKI-KRWDZBQOSA-N -1 0 412.389 2.944 20 30 HFEDRM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790869319 1078165628 /nfs/dbraw/zinc/16/56/28/1078165628.db2.gz PLEZIAHKAWJDTB-YVMONPNESA-N -1 0 405.357 2.967 20 30 HFEDRM CCc1noc(CC)c1CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790868810 1078165982 /nfs/dbraw/zinc/16/59/82/1078165982.db2.gz LAGUWJXZUXBJER-UHFFFAOYSA-N -1 0 415.393 2.737 20 30 HFEDRM Cc1nc(CC(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c(C)s1 ZINC000790868986 1078166072 /nfs/dbraw/zinc/16/60/72/1078166072.db2.gz OGDCAEBDFICCKL-UHFFFAOYSA-N -1 0 403.407 2.698 20 30 HFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)C(F)(F)c1nccs1 ZINC000790870102 1078166376 /nfs/dbraw/zinc/16/63/76/1078166376.db2.gz ZUKCOJUYPLUKAF-UHFFFAOYSA-N -1 0 411.333 2.630 20 30 HFEDRM Cc1ncsc1/C=C/C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790862575 1078179408 /nfs/dbraw/zinc/17/94/08/1078179408.db2.gz OQHFWZVPPANGSI-HWKANZROSA-N -1 0 401.391 2.860 20 30 HFEDRM N#Cc1ccc(C2(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC2)cc1 ZINC000790861854 1078180118 /nfs/dbraw/zinc/18/01/18/1078180118.db2.gz MUXRDGJIFOMDSH-UHFFFAOYSA-N -1 0 419.384 2.985 20 30 HFEDRM COc1cc(OC)cc(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000790863548 1078180515 /nfs/dbraw/zinc/18/05/15/1078180515.db2.gz BZIQCFGQRVPREX-UHFFFAOYSA-N -1 0 414.361 2.713 20 30 HFEDRM CCN(CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccccc1 ZINC000790863526 1078180519 /nfs/dbraw/zinc/18/05/19/1078180519.db2.gz YQKDWMVQTFMPGH-UHFFFAOYSA-N -1 0 411.405 2.908 20 30 HFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)COC2 ZINC000790862957 1078180802 /nfs/dbraw/zinc/18/08/02/1078180802.db2.gz QGYKETXMUCYEMI-UHFFFAOYSA-N -1 0 410.373 2.655 20 30 HFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)Cc1ccc(F)c(F)c1 ZINC000790863034 1078180807 /nfs/dbraw/zinc/18/08/07/1078180807.db2.gz UMBRRFRUPBBODG-UHFFFAOYSA-N -1 0 404.316 2.903 20 30 HFEDRM CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cn1 ZINC000790862816 1078181186 /nfs/dbraw/zinc/18/11/86/1078181186.db2.gz UXYGJNBAQZENTF-UHFFFAOYSA-N -1 0 413.377 2.878 20 30 HFEDRM C[C@H](Oc1ccccc1C#N)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790865402 1078182123 /nfs/dbraw/zinc/18/21/23/1078182123.db2.gz XPAXVZAORFCTHC-NSHDSACASA-N -1 0 423.372 2.721 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1F ZINC000793974361 1078350117 /nfs/dbraw/zinc/35/01/17/1078350117.db2.gz UKFCIBTVSWNFND-AWEZNQCLSA-N -1 0 402.325 2.820 20 30 HFEDRM N#Cc1cnn(C2CCOCC2)c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000794051439 1078366162 /nfs/dbraw/zinc/36/61/62/1078366162.db2.gz PVWVJQLJKFTAQV-UHFFFAOYSA-N -1 0 417.310 2.731 20 30 HFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000747205896 1078477202 /nfs/dbraw/zinc/47/72/02/1078477202.db2.gz XHMQGNVIDKHDNW-CQSZACIVSA-N -1 0 401.341 2.867 20 30 HFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(C(=O)N=S(C)(C)=O)cc2)cc1C#N ZINC001129483405 1078484226 /nfs/dbraw/zinc/48/42/26/1078484226.db2.gz OEXXWMLIWWSYBS-UHFFFAOYSA-N -1 0 404.473 2.501 20 30 HFEDRM O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(Cl)c([O-])cc1F ZINC000805261576 1079001703 /nfs/dbraw/zinc/00/17/03/1079001703.db2.gz GKZFIBFTBFLDNG-UHFFFAOYSA-N -1 0 411.842 2.642 20 30 HFEDRM N#Cc1ccc(N2CC[C@H](C(=O)[N-]S(=O)(=O)c3ccc(Cl)s3)C2)c(F)c1 ZINC000805841815 1079278543 /nfs/dbraw/zinc/27/85/43/1079278543.db2.gz NHBGVBCALYGKGL-NSHDSACASA-N -1 0 413.883 2.744 20 30 HFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)Cc1ccc([S@@](C)=O)cc1 ZINC000805860355 1079307419 /nfs/dbraw/zinc/30/74/19/1079307419.db2.gz DAWZBGGMTPMUEB-HYDGNGQDSA-N -1 0 414.483 2.680 20 30 HFEDRM CC1(C(=O)[N-]S(=O)(=O)N2CCCCC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000805863757 1079309215 /nfs/dbraw/zinc/30/92/15/1079309215.db2.gz LQOWIDOYYQEVDW-UHFFFAOYSA-N -1 0 424.954 2.665 20 30 HFEDRM O=C(/C=C\c1cncc(F)c1)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001130417586 1079336056 /nfs/dbraw/zinc/33/60/56/1079336056.db2.gz MENKIHUPGTWODG-XSYPRPMDSA-N -1 0 413.293 2.834 20 30 HFEDRM N#Cc1ccc(N2CC[C@@H](C(=O)[N-]S(=O)(=O)Cc3cccc(Cl)c3)C2)c(F)c1 ZINC000805975372 1079382615 /nfs/dbraw/zinc/38/26/15/1079382615.db2.gz RKCIZBMEDCTLQD-OAHLLOKOSA-N -1 0 421.881 2.823 20 30 HFEDRM N#Cc1ccc(C2(C(=O)[N-]S(=O)(=O)c3cc(Br)cs3)CC2)cc1 ZINC000806096195 1079425986 /nfs/dbraw/zinc/42/59/86/1079425986.db2.gz LHVUXTBGAHQLKW-UHFFFAOYSA-N -1 0 411.302 2.919 20 30 HFEDRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)CSCc1ccc(C#N)cc1 ZINC000806093489 1079423675 /nfs/dbraw/zinc/42/36/75/1079423675.db2.gz GWWIDWRXBFSWIY-UHFFFAOYSA-N -1 0 404.513 2.584 20 30 HFEDRM N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(Br)cs1 ZINC000806096762 1079425191 /nfs/dbraw/zinc/42/51/91/1079425191.db2.gz GEJYCUDYVGYLLO-UHFFFAOYSA-N -1 0 401.263 2.532 20 30 HFEDRM C[C@H](Oc1cccc(C=NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c1)C(=O)[O-] ZINC000746682098 1076815183 /nfs/dbraw/zinc/81/51/83/1076815183.db2.gz KLFIQAYKCWNWSJ-OYHNWAKOSA-N -1 0 409.442 2.816 20 30 HFEDRM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1 ZINC000788417510 1077159325 /nfs/dbraw/zinc/15/93/25/1077159325.db2.gz VFTWLANTNHMTPB-JTQLQIEISA-N -1 0 414.892 2.806 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1Br ZINC000788443298 1077161771 /nfs/dbraw/zinc/16/17/71/1077161771.db2.gz VORVGOJRZWUSKK-CYBMUJFWSA-N -1 0 415.309 2.880 20 30 HFEDRM COc1cc(C=Nn2c(C)c(Br)c(C)c(C#N)c2=O)cc([N+](=O)[O-])c1[O-] ZINC000788462178 1077167100 /nfs/dbraw/zinc/16/71/00/1077167100.db2.gz VPRTVTCSHHVINM-UHFFFAOYSA-N -1 0 421.207 2.604 20 30 HFEDRM COC(=O)c1sc(S(=O)(=O)[N-]c2cc(C)nn2CCC#N)c(C)c1Cl ZINC000788491024 1077178711 /nfs/dbraw/zinc/17/87/11/1077178711.db2.gz HTLVQLXNYIHMFT-UHFFFAOYSA-N -1 0 402.885 2.716 20 30 HFEDRM COC(=O)c1sc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c(C)c1Cl ZINC000788553834 1077199161 /nfs/dbraw/zinc/19/91/61/1077199161.db2.gz MTYXMQMELJELQE-UHFFFAOYSA-N -1 0 400.869 2.770 20 30 HFEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cn(C)nc3C(F)(F)F)cc2[n-]c1=S ZINC000788608583 1077206341 /nfs/dbraw/zinc/20/63/41/1077206341.db2.gz QVQRPJJBENHQBT-UHFFFAOYSA-N -1 0 409.393 2.876 20 30 HFEDRM Cc1cc(C(=O)/C=C/c2ccc(OCCn3cc(C(=O)[O-])nn3)c(Cl)c2)n(C)n1 ZINC000789157147 1077437594 /nfs/dbraw/zinc/43/75/94/1077437594.db2.gz WJRMEGDVCYKAMM-HWKANZROSA-N -1 0 415.837 2.647 20 30 HFEDRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)c(-c2ccc(Cl)s2)n1 ZINC000789329047 1077522308 /nfs/dbraw/zinc/52/23/08/1077522308.db2.gz AFKCGIWHAOLEHW-UHFFFAOYSA-N -1 0 420.903 2.933 20 30 HFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2oc(CC(C)C)nc2C)cc1OC ZINC000789343650 1077528635 /nfs/dbraw/zinc/52/86/35/1077528635.db2.gz MWJLVBGCSOGPKH-INIZCTEOSA-N -1 0 413.474 2.880 20 30 HFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1cnn(C)c1Br ZINC000791785016 1077569200 /nfs/dbraw/zinc/56/92/00/1077569200.db2.gz XWQLLEHMCQCHLS-SNVBAGLBSA-N -1 0 421.251 2.510 20 30 HFEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C(=O)c2nc(Cl)cs2)c1 ZINC000789454096 1077580123 /nfs/dbraw/zinc/58/01/23/1077580123.db2.gz ZYMQBGLGTBYTPF-UHFFFAOYSA-N -1 0 406.670 2.549 20 30 HFEDRM COc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)cc([N+](=O)[O-])c1C ZINC000791892010 1077589109 /nfs/dbraw/zinc/58/91/09/1077589109.db2.gz VOGBXIKQSWACMY-ZDUSSCGKSA-N -1 0 403.341 2.829 20 30 HFEDRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1C ZINC000789522440 1077618485 /nfs/dbraw/zinc/61/84/85/1077618485.db2.gz MUEUDLFKMCQJGR-GOSISDBHSA-N -1 0 413.499 2.658 20 30 HFEDRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1C ZINC000789522441 1077618537 /nfs/dbraw/zinc/61/85/37/1077618537.db2.gz MUEUDLFKMCQJGR-SFHVURJKSA-N -1 0 413.499 2.658 20 30 HFEDRM O=C([O-])CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(OC(F)F)c2)cc1 ZINC000747063375 1077777798 /nfs/dbraw/zinc/77/77/98/1077777798.db2.gz JIBQAAJNERCMLQ-RUDMXATFSA-N -1 0 411.382 2.547 20 30 HFEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc4c(c3)CC(=O)N4C)cc2[n-]c1=S ZINC000790095888 1077946951 /nfs/dbraw/zinc/94/69/51/1077946951.db2.gz UTVNIHZEFPDRDF-UHFFFAOYSA-N -1 0 406.467 2.642 20 30 HFEDRM CC(C)(C)OC(=O)N1[C@@H](C=Nn2c(=O)c3ccccc3[n-]c2=S)COC1(C)C ZINC000792960632 1078036016 /nfs/dbraw/zinc/03/60/16/1078036016.db2.gz WFXODAHGKRXERP-LBPRGKRZSA-N -1 0 404.492 2.891 20 30 HFEDRM C=C(Br)CNC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000797716264 939177321 /nfs/dbraw/zinc/17/73/21/939177321.db2.gz VUUOVZWJRRJKDX-CYBMUJFWSA-N -1 0 406.074 2.957 20 30 HFEDRM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2csc(C(F)(F)F)n2)cc1 ZINC000793127438 1078072761 /nfs/dbraw/zinc/07/27/61/1078072761.db2.gz VGNDJCAUQHMXNL-NSHDSACASA-N -1 0 410.377 2.825 20 30 HFEDRM Cc1ccccc1-n1ncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1C(F)(F)F ZINC000793196233 1078098607 /nfs/dbraw/zinc/09/86/07/1078098607.db2.gz SYEPLFZCNITYMR-UHFFFAOYSA-N -1 0 412.393 2.563 20 30 HFEDRM Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)c12 ZINC000793197680 1078098627 /nfs/dbraw/zinc/09/86/27/1078098627.db2.gz RXTPNFVTAVMWPP-UHFFFAOYSA-N -1 0 410.455 2.870 20 30 HFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000793205133 1078105757 /nfs/dbraw/zinc/10/57/57/1078105757.db2.gz SUEHWIBWJBGTQE-KRWDZBQOSA-N -1 0 406.410 2.835 20 30 HFEDRM COc1cc(CNC(=O)c2ccccc2[N-]S(=O)(=O)C(F)(F)F)ccc1C#N ZINC000793260726 1078112343 /nfs/dbraw/zinc/11/23/43/1078112343.db2.gz PSBKCTGDBGZWMG-UHFFFAOYSA-N -1 0 413.377 2.758 20 30 HFEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccccc1 ZINC000793333034 1078140387 /nfs/dbraw/zinc/14/03/87/1078140387.db2.gz HWWVPKILNIJPIQ-ZDUSSCGKSA-N -1 0 402.447 2.875 20 30 HFEDRM C[C@@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000790841916 1078144448 /nfs/dbraw/zinc/14/44/48/1078144448.db2.gz QQVRGERKGGTQJP-LLVKDONJSA-N -1 0 409.261 2.593 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccnc2C2CC2)cc1Br ZINC000790839538 1078141384 /nfs/dbraw/zinc/14/13/84/1078141384.db2.gz ORRHYDZQFZOJKH-UHFFFAOYSA-N -1 0 406.261 2.712 20 30 HFEDRM Cc1ccc2oc(C(=O)[N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)cc2n1 ZINC000790839542 1078141613 /nfs/dbraw/zinc/14/16/13/1078141613.db2.gz QCICDSMDYFFLMY-UHFFFAOYSA-N -1 0 420.244 2.889 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2Cc3ccccc3S2)cc1Br ZINC000790839520 1078141647 /nfs/dbraw/zinc/14/16/47/1078141647.db2.gz PXQAXNKQWOCBHP-HNNXBMFYSA-N -1 0 423.313 2.843 20 30 HFEDRM CCS[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(C)C ZINC000790840437 1078142622 /nfs/dbraw/zinc/14/26/22/1078142622.db2.gz XDPNAASMIXNDMX-CYBMUJFWSA-N -1 0 405.339 2.903 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2scnc2C2CC2)cc1Br ZINC000790840633 1078143870 /nfs/dbraw/zinc/14/38/70/1078143870.db2.gz ZDVUJZTULGTLDT-UHFFFAOYSA-N -1 0 412.290 2.773 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2nc(Cl)cs2)cc1Br ZINC000790842670 1078145138 /nfs/dbraw/zinc/14/51/38/1078145138.db2.gz YWNHFULALZHLRG-UHFFFAOYSA-N -1 0 406.670 2.549 20 30 HFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(C#N)cs2)cc1C(F)(F)F ZINC000793377041 1078153567 /nfs/dbraw/zinc/15/35/67/1078153567.db2.gz SUDQMYSZPOIOJS-UHFFFAOYSA-N -1 0 418.374 2.544 20 30 HFEDRM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000790834805 1078161817 /nfs/dbraw/zinc/16/18/17/1078161817.db2.gz DDTLVCDALCJREB-UHFFFAOYSA-N -1 0 400.279 2.513 20 30 HFEDRM CC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000790834780 1078161832 /nfs/dbraw/zinc/16/18/32/1078161832.db2.gz CORWZXWYHUZXSB-UHFFFAOYSA-N -1 0 421.272 2.571 20 30 HFEDRM CC(C)C[C@H](C)OCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000790835941 1078162280 /nfs/dbraw/zinc/16/22/80/1078162280.db2.gz KEDCXGLPWDANPG-LBPRGKRZSA-N -1 0 417.325 2.967 20 30 HFEDRM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000747117011 1078162600 /nfs/dbraw/zinc/16/26/00/1078162600.db2.gz KCHDEQNEPBMSDN-LLVKDONJSA-N -1 0 415.899 2.520 20 30 HFEDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000790868318 1078165070 /nfs/dbraw/zinc/16/50/70/1078165070.db2.gz HZTOMUAGVYDLGN-UHFFFAOYSA-N -1 0 413.333 2.912 20 30 HFEDRM C[C@H](Sc1ccccn1)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790867698 1078165693 /nfs/dbraw/zinc/16/56/93/1078165693.db2.gz HBZBOXYDFRHGOK-JTQLQIEISA-N -1 0 415.418 2.958 20 30 HFEDRM CCc1noc2ncc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)cc12 ZINC000790861128 1078178860 /nfs/dbraw/zinc/17/88/60/1078178860.db2.gz AXMYILVJLSJERB-UHFFFAOYSA-N -1 0 424.360 2.794 20 30 HFEDRM CCC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCO1 ZINC000790862547 1078179413 /nfs/dbraw/zinc/17/94/13/1078179413.db2.gz SLSGGYGFCCBSES-FZMZJTMJSA-N -1 0 404.410 2.977 20 30 HFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cnn1C(C)C ZINC000790864109 1078181770 /nfs/dbraw/zinc/18/17/70/1078181770.db2.gz JVYOTBWJUXHBRT-UHFFFAOYSA-N -1 0 400.382 2.782 20 30 HFEDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1F ZINC000790863863 1078181794 /nfs/dbraw/zinc/18/17/94/1078181794.db2.gz HGUFTRAUVYGWHP-UHFFFAOYSA-N -1 0 402.325 2.843 20 30 HFEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc([N+](=O)[O-])c2OC)C1=O ZINC000793986777 1078357448 /nfs/dbraw/zinc/35/74/48/1078357448.db2.gz PXFJXHYAVKOIBJ-LJQANCHMSA-N -1 0 406.439 2.919 20 30 HFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCCC[C@@H]3c3nc(C)no3)cc2[n-]c1=S ZINC000804860790 1078685985 /nfs/dbraw/zinc/68/59/85/1078685985.db2.gz OLWAJCZFRNGAHG-MRXNPFEDSA-N -1 0 411.487 2.930 20 30 HFEDRM CSc1[n-]c(=O)c(C(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1C#N ZINC000747221120 1078718127 /nfs/dbraw/zinc/71/81/27/1078718127.db2.gz QSMZUDCNWJRUPZ-CYBMUJFWSA-N -1 0 413.377 2.743 20 30 HFEDRM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000805062963 1078873974 /nfs/dbraw/zinc/87/39/74/1078873974.db2.gz WUYLOOHEOYXFJG-SKDRFNHKSA-N -1 0 421.853 2.656 20 30 HFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)n1 ZINC000805586529 1079162002 /nfs/dbraw/zinc/16/20/02/1079162002.db2.gz DADGNFVWHSUKDQ-GJZGRUSLSA-N -1 0 412.446 2.708 20 30 HFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1C ZINC000805842664 1079291980 /nfs/dbraw/zinc/29/19/80/1079291980.db2.gz XDWZEFHCIRIBMG-INIZCTEOSA-N -1 0 401.463 2.646 20 30 HFEDRM COC(=O)c1cc(Br)cc(S(=O)(=O)[N-]C(=O)CCCCCC#N)c1 ZINC000805919070 1079334182 /nfs/dbraw/zinc/33/41/82/1079334182.db2.gz FXGWSQADOFDBBC-UHFFFAOYSA-N -1 0 417.281 2.515 20 30 HFEDRM N#CCSc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000747290339 1079390119 /nfs/dbraw/zinc/39/01/19/1079390119.db2.gz MIOZYWRCDLXMLE-UHFFFAOYSA-N -1 0 401.391 2.835 20 30 HFEDRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000806092536 1079422571 /nfs/dbraw/zinc/42/25/71/1079422571.db2.gz UYRALLWDZRCXBA-UHFFFAOYSA-N -1 0 404.463 2.768 20 30 HFEDRM N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000806104978 1079431986 /nfs/dbraw/zinc/43/19/86/1079431986.db2.gz IFVNDOFMSOPHKN-UHFFFAOYSA-N -1 0 418.324 2.745 20 30 HFEDRM C[C@H](Oc1cccc(C=Nn2cnc3ccc(Br)cc3c2=O)c1)C(=O)[O-] ZINC000746683478 1076815808 /nfs/dbraw/zinc/81/58/08/1076815808.db2.gz WZKFTRPIIOSQBR-NSHDSACASA-N -1 0 416.231 2.893 20 30 HFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](CO)Cc3ccccc3C)cc2[n-]c1=S ZINC000788005613 1077026394 /nfs/dbraw/zinc/02/63/94/1077026394.db2.gz IZOSSQAPBOPTMC-QGZVFWFLSA-N -1 0 409.511 2.513 20 30 HFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000772715888 1077083283 /nfs/dbraw/zinc/08/32/83/1077083283.db2.gz ZGUMIMLFYBIRCL-UHFFFAOYSA-N -1 0 423.288 2.947 20 30 HFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cnc(Br)c(OC)c2)cc1 ZINC000788349500 1077114238 /nfs/dbraw/zinc/11/42/38/1077114238.db2.gz OYCKGIWHYANJRR-AWEZNQCLSA-N -1 0 418.247 2.500 20 30 HFEDRM C=CCS(=O)(=O)[N-]C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 ZINC000788369333 1077130525 /nfs/dbraw/zinc/13/05/25/1077130525.db2.gz XANDJQJYVVJTGU-CYBMUJFWSA-N -1 0 417.915 2.631 20 30 HFEDRM CC1(C)NC(=O)N(c2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)c2)C1=O ZINC000788497625 1077182179 /nfs/dbraw/zinc/18/21/79/1077182179.db2.gz BQWQKDUTKTVNKR-UHFFFAOYSA-N -1 0 418.862 2.847 20 30 HFEDRM CCC1N=NC(=S)N1N=Cc1ccc(Cl)c(I)c1[O-] ZINC000788699425 1077263007 /nfs/dbraw/zinc/26/30/07/1077263007.db2.gz DMLXBMUFWKKPGZ-UHFFFAOYSA-N -1 0 408.652 2.975 20 30 HFEDRM C#C[C@H](CCC)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000791201217 1077322038 /nfs/dbraw/zinc/32/20/38/1077322038.db2.gz UGVLSPFEZKQZQZ-OAHLLOKOSA-N -1 0 401.444 2.927 20 30 HFEDRM Cc1c(Br)c(C)n([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)c(=O)c1C#N ZINC000791171007 1077327032 /nfs/dbraw/zinc/32/70/32/1077327032.db2.gz KHXPUSCQGFALAA-UHFFFAOYSA-N -1 0 409.171 2.531 20 30 HFEDRM COc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)c(OCC(C)C)c1 ZINC000789331375 1077524482 /nfs/dbraw/zinc/52/44/82/1077524482.db2.gz VNUHEFWMBPWKBO-UHFFFAOYSA-N -1 0 402.472 2.861 20 30 HFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2oc(CC(C)C)nc2C)cc1OC ZINC000789343651 1077528714 /nfs/dbraw/zinc/52/87/14/1077528714.db2.gz MWJLVBGCSOGPKH-MRXNPFEDSA-N -1 0 413.474 2.880 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2n[nH]c3c2CCCCC3)c(C(F)(F)F)c1 ZINC000789360560 1077537651 /nfs/dbraw/zinc/53/76/51/1077537651.db2.gz GOUZKYQHLIGSGB-UHFFFAOYSA-N -1 0 412.393 2.688 20 30 HFEDRM C=CC[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCCN1C(=O)OC(C)(C)C ZINC000791762001 1077555949 /nfs/dbraw/zinc/55/59/49/1077555949.db2.gz GEVNTZXXLQGPRF-FQEVSTJZSA-N -1 0 419.503 2.709 20 30 HFEDRM C=CC[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC000791766015 1077557305 /nfs/dbraw/zinc/55/73/05/1077557305.db2.gz BFHIVGRTQWIWSO-FQEVSTJZSA-N -1 0 408.520 2.978 20 30 HFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(C)c(C(C)=O)c2)cc1OC ZINC000789402092 1077559681 /nfs/dbraw/zinc/55/96/81/1077559681.db2.gz BLDVBCAVVFAXOW-LJQANCHMSA-N -1 0 408.454 2.896 20 30 HFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)Cc1c(CC)nn(C)c1CC ZINC000791784635 1077569205 /nfs/dbraw/zinc/56/92/05/1077569205.db2.gz UAJYZRAINIQWHN-OAHLLOKOSA-N -1 0 412.490 2.801 20 30 HFEDRM C=CCC1(C(=O)OCCc2c(C(=O)OC)[n-]n(-c3ccc(C#N)cc3)c2=O)CCC1 ZINC000791789246 1077570702 /nfs/dbraw/zinc/57/07/02/1077570702.db2.gz QBZSMFNPMLYHCG-UHFFFAOYSA-N -1 0 409.442 2.656 20 30 HFEDRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)CCOCC(F)(F)C(F)(F)F)cc1F ZINC000791831352 1077577248 /nfs/dbraw/zinc/57/72/48/1077577248.db2.gz NWQFEJRQXWBFCC-UHFFFAOYSA-N -1 0 411.295 2.682 20 30 HFEDRM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000792061554 1077668547 /nfs/dbraw/zinc/66/85/47/1077668547.db2.gz LLNIJHAUZQZCOW-IBGZPJMESA-N -1 0 401.463 2.621 20 30 HFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792090805 1077711542 /nfs/dbraw/zinc/71/15/42/1077711542.db2.gz HSWNCMWWQBGTEV-UHFFFAOYSA-N -1 0 424.519 2.711 20 30 HFEDRM COc1cc(C(=O)OCC#Cc2ccccc2Cl)cc([N-]S(C)(=O)=O)c1OC ZINC000747071208 1077860644 /nfs/dbraw/zinc/86/06/44/1077860644.db2.gz QDEZCRYTYXKBMJ-UHFFFAOYSA-N -1 0 423.874 2.937 20 30 HFEDRM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C1\Cc2c(ccc([O-])c2F)C1=O ZINC000806574939 1079833136 /nfs/dbraw/zinc/83/31/36/1079833136.db2.gz KEDZPSWPCOEJLD-CDCCAWJDSA-N -1 0 410.854 2.872 20 30 HFEDRM N#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807512754 1080721987 /nfs/dbraw/zinc/72/19/87/1080721987.db2.gz HRKSTBSXLNMSDN-UHFFFAOYSA-N -1 0 412.204 2.995 20 30 HFEDRM N#CCn1cc([N-]S(=O)(=O)c2cc(Br)ccc2Br)cn1 ZINC000747406295 1080804394 /nfs/dbraw/zinc/80/43/94/1080804394.db2.gz BWLXTMSOZPHWDV-UHFFFAOYSA-N -1 0 420.086 2.732 20 30 HFEDRM C=CCN1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC001165032513 721870007 /nfs/dbraw/zinc/87/00/07/721870007.db2.gz WKPLHFKXUDBCDL-UHFFFAOYSA-N -1 0 409.515 2.739 20 30 HFEDRM C=CCOc1ccccc1CNC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1OC ZINC000562457350 939330619 /nfs/dbraw/zinc/33/06/19/939330619.db2.gz JKMDTUNTZSUFIL-IBGZPJMESA-N -1 0 400.431 2.894 20 30 HFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000772717117 1077095795 /nfs/dbraw/zinc/09/57/95/1077095795.db2.gz CSXMQTZSYKQRTR-UHFFFAOYSA-N -1 0 419.162 2.556 20 30 HFEDRM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)o1 ZINC000793200983 1078092887 /nfs/dbraw/zinc/09/28/87/1078092887.db2.gz HWVWSFYFNHAIRD-UHFFFAOYSA-N -1 0 410.455 2.804 20 30 HFEDRM Cc1cc(SCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c(C)cc1Br ZINC000793201567 1078093154 /nfs/dbraw/zinc/09/31/54/1078093154.db2.gz MOXLIDNPQADWRE-UHFFFAOYSA-N -1 0 417.350 2.908 20 30 HFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC1 ZINC000793202243 1078093503 /nfs/dbraw/zinc/09/35/03/1078093503.db2.gz YCFDUFGIKRFHEU-UHFFFAOYSA-N -1 0 406.467 2.903 20 30 HFEDRM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793194278 1078097959 /nfs/dbraw/zinc/09/79/59/1078097959.db2.gz HRLJQDQJMQDPCQ-VIFPVBQESA-N -1 0 421.700 2.620 20 30 HFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c2cc(Br)ccc2n1 ZINC000793197068 1078098845 /nfs/dbraw/zinc/09/88/45/1078098845.db2.gz NCJUVHYDQWNADE-UHFFFAOYSA-N -1 0 408.277 2.669 20 30 HFEDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 ZINC000790841926 1078144387 /nfs/dbraw/zinc/14/43/87/1078144387.db2.gz RBBWJLZQIJVCBA-UHFFFAOYSA-N -1 0 408.277 2.958 20 30 HFEDRM C[C@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000790841917 1078144410 /nfs/dbraw/zinc/14/44/10/1078144410.db2.gz QQVRGERKGGTQJP-NSHDSACASA-N -1 0 409.261 2.593 20 30 HFEDRM Cc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000790841992 1078144436 /nfs/dbraw/zinc/14/44/36/1078144436.db2.gz UQFFGRCVVLAKLR-LBPRGKRZSA-N -1 0 423.288 2.902 20 30 HFEDRM C[C@@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000790836979 1078140447 /nfs/dbraw/zinc/14/04/47/1078140447.db2.gz UJFBIOOMPCCKEL-YPMHNXCESA-N -1 0 415.309 2.721 20 30 HFEDRM COc1ccc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000790840605 1078142335 /nfs/dbraw/zinc/14/23/35/1078142335.db2.gz YWBIPELKDUUHMT-WTKPLQERSA-N -1 0 421.272 2.848 20 30 HFEDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000790840361 1078142660 /nfs/dbraw/zinc/14/26/60/1078142660.db2.gz XZAITZYPHSBMGZ-UHFFFAOYSA-N -1 0 424.232 2.656 20 30 HFEDRM CCc1ccccc1OCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000790840607 1078142678 /nfs/dbraw/zinc/14/26/78/1078142678.db2.gz YWDMEDFCOUOKEC-UHFFFAOYSA-N -1 0 423.288 2.767 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cc(F)ccc2F)cc1Br ZINC000790841686 1078144632 /nfs/dbraw/zinc/14/46/32/1078144632.db2.gz JYWVRDJUXLWJHF-UHFFFAOYSA-N -1 0 415.215 2.647 20 30 HFEDRM COc1cc(C)sc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000790841671 1078144639 /nfs/dbraw/zinc/14/46/39/1078144639.db2.gz JOCKGRFRQRUVJD-UHFFFAOYSA-N -1 0 415.290 2.818 20 30 HFEDRM COC1CCC(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000790841387 1078143453 /nfs/dbraw/zinc/14/34/53/1078143453.db2.gz FCBOWGMTMMLTPQ-UHFFFAOYSA-N -1 0 415.309 2.721 20 30 HFEDRM COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccc2C#N)cc1OC ZINC000790823509 1078156564 /nfs/dbraw/zinc/15/65/64/1078156564.db2.gz UGLDAOLTSFBGGQ-NSHDSACASA-N -1 0 424.862 2.501 20 30 HFEDRM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c1 ZINC000793412125 1078159157 /nfs/dbraw/zinc/15/91/57/1078159157.db2.gz PNCFVQTZYXNMAX-UHFFFAOYSA-N -1 0 422.434 2.852 20 30 HFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccncc1 ZINC000790835259 1078161569 /nfs/dbraw/zinc/16/15/69/1078161569.db2.gz FZPXLUOMYZEMGH-LLVKDONJSA-N -1 0 408.277 2.714 20 30 HFEDRM COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1F ZINC000790870213 1078166361 /nfs/dbraw/zinc/16/63/61/1078166361.db2.gz VHZLDIRWVLFGOH-UHFFFAOYSA-N -1 0 402.325 2.843 20 30 HFEDRM CSc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)ccn1 ZINC000790862103 1078179743 /nfs/dbraw/zinc/17/97/43/1078179743.db2.gz OYLIROUSFAQJDG-UHFFFAOYSA-N -1 0 401.391 2.813 20 30 HFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)cn1 ZINC000790861838 1078180087 /nfs/dbraw/zinc/18/00/87/1078180087.db2.gz MIJHBJYNOQCEEH-UHFFFAOYSA-N -1 0 421.303 2.692 20 30 HFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)[C@@H](F)Cc1ccccc1 ZINC000790863065 1078180812 /nfs/dbraw/zinc/18/08/12/1078180812.db2.gz YBVTXYFNSGVLCF-AWEZNQCLSA-N -1 0 400.353 2.963 20 30 HFEDRM Cc1nn(C(C)(C)C)cc1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790863058 1078180826 /nfs/dbraw/zinc/18/08/26/1078180826.db2.gz XUUHFRWHKRRXJA-UHFFFAOYSA-N -1 0 414.409 2.956 20 30 HFEDRM N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790863657 1078182104 /nfs/dbraw/zinc/18/21/04/1078182104.db2.gz ZYQICONUEODPIB-UHFFFAOYSA-N -1 0 407.373 2.691 20 30 HFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)COc1ccc(F)cc1 ZINC000790863733 1078182112 /nfs/dbraw/zinc/18/21/12/1078182112.db2.gz FBLWRHJLOMQSRZ-UHFFFAOYSA-N -1 0 402.325 2.600 20 30 HFEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cnn(-c3ccccn3)c2C)C1=O ZINC000793985380 1078356518 /nfs/dbraw/zinc/35/65/18/1078356518.db2.gz BDEBOWWTLZXRJF-OAQYLSRUSA-N -1 0 412.494 2.892 20 30 HFEDRM Cc1ncc(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1C#N ZINC000794001539 1078359605 /nfs/dbraw/zinc/35/96/05/1078359605.db2.gz FWBPJCKBYXBXHY-UHFFFAOYSA-N -1 0 414.468 2.957 20 30 HFEDRM N#Cc1cnn(C2CCOCC2)c1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000794051368 1078366205 /nfs/dbraw/zinc/36/62/05/1078366205.db2.gz PBDNFQBTNFSUCM-UHFFFAOYSA-N -1 0 420.878 2.689 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(N3CCCCC3)c2)cc1F ZINC000794031543 1078369709 /nfs/dbraw/zinc/36/97/09/1078369709.db2.gz AOFRKWLDXSBNJG-UHFFFAOYSA-N -1 0 402.451 2.587 20 30 HFEDRM COc1ccc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1C#N ZINC000805224227 1078972097 /nfs/dbraw/zinc/97/20/97/1078972097.db2.gz TTZGGPMIPFGGDV-MKBNYLNASA-N -1 0 412.412 2.554 20 30 HFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1 ZINC000805586528 1079161877 /nfs/dbraw/zinc/16/18/77/1079161877.db2.gz DADGNFVWHSUKDQ-CABCVRRESA-N -1 0 412.446 2.708 20 30 HFEDRM CC(=O)N(c1nc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)cs1)c1ccc(F)cc1 ZINC000761806371 1079169428 /nfs/dbraw/zinc/16/94/28/1079169428.db2.gz ZVOQXTGSCGLPEH-YVMONPNESA-N -1 0 414.418 2.662 20 30 HFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)Cc1ccc([S@](C)=O)cc1 ZINC000805860309 1079307439 /nfs/dbraw/zinc/30/74/39/1079307439.db2.gz DAWZBGGMTPMUEB-BCOMRZATSA-N -1 0 414.483 2.680 20 30 HFEDRM Cc1nc2c(cccc2C(=O)[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)o1 ZINC000805894895 1079324776 /nfs/dbraw/zinc/32/47/76/1079324776.db2.gz XZIVKTOIRMEWON-UHFFFAOYSA-N -1 0 420.244 2.889 20 30 HFEDRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1F ZINC000805897345 1079325581 /nfs/dbraw/zinc/32/55/81/1079325581.db2.gz QRQMFAHCBOKJHD-ZDUSSCGKSA-N -1 0 423.416 2.615 20 30 HFEDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c(F)c1 ZINC000805929471 1079359158 /nfs/dbraw/zinc/35/91/58/1079359158.db2.gz GDOKCTZWEYKBTD-OAHLLOKOSA-N -1 0 419.453 2.617 20 30 HFEDRM C[C@]1(CCc2ccccc2)NC(=O)N(N=Cc2cccc(OCCC(=O)[O-])c2)C1=O ZINC000746682308 1076814794 /nfs/dbraw/zinc/81/47/94/1076814794.db2.gz MOOGGFXPELBEOS-JOCHJYFZSA-N -1 0 409.442 2.817 20 30 HFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000788053367 1077042651 /nfs/dbraw/zinc/04/26/51/1077042651.db2.gz KKIKPPVMWTWHOR-UHFFFAOYSA-N -1 0 409.489 2.718 20 30 HFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cnc(Br)c(OC)c2)cc1 ZINC000788349506 1077114181 /nfs/dbraw/zinc/11/41/81/1077114181.db2.gz OYCKGIWHYANJRR-CQSZACIVSA-N -1 0 418.247 2.500 20 30 HFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc(Br)c(OC)c2)n1 ZINC000788355199 1077123924 /nfs/dbraw/zinc/12/39/24/1077123924.db2.gz UAUMWFUALUBTKC-SECBINFHSA-N -1 0 410.249 2.976 20 30 HFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)OCC ZINC000788412659 1077156401 /nfs/dbraw/zinc/15/64/01/1077156401.db2.gz GFHLLELYYJJUBT-CJNGLKHVSA-N -1 0 419.927 2.930 20 30 HFEDRM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1 ZINC000788415556 1077158187 /nfs/dbraw/zinc/15/81/87/1077158187.db2.gz QGNAAWWAJIOYMC-GFCCVEGCSA-N -1 0 408.863 2.744 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1Br ZINC000788442525 1077176166 /nfs/dbraw/zinc/17/61/66/1077176166.db2.gz OGZKUDHBAJDOFJ-LLVKDONJSA-N -1 0 401.282 2.586 20 30 HFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1 ZINC000772721344 1077202091 /nfs/dbraw/zinc/20/20/91/1077202091.db2.gz MJLKLEANPFTHRF-UHFFFAOYSA-N -1 0 404.513 2.971 20 30 HFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C)nc2Cl)C1=O ZINC000788679514 1077248591 /nfs/dbraw/zinc/24/85/91/1077248591.db2.gz IHOVOLCPKMAYEA-KRWDZBQOSA-N -1 0 416.931 2.908 20 30 HFEDRM COC(=O)COc1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000788731791 1077284623 /nfs/dbraw/zinc/28/46/23/1077284623.db2.gz MRBGCRTVAVLILR-DJWKRKHSSA-N -1 0 402.315 2.657 20 30 HFEDRM C#C[C@@H](CCC)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000791201216 1077321947 /nfs/dbraw/zinc/32/19/47/1077321947.db2.gz UGVLSPFEZKQZQZ-HNNXBMFYSA-N -1 0 401.444 2.927 20 30 HFEDRM Cc1c(Br)c(C)n([N-]C(=O)c2cc(-c3cccnc3)on2)c(=O)c1C#N ZINC000791170870 1077325609 /nfs/dbraw/zinc/32/56/09/1077325609.db2.gz GJEZCKNEHSIYQC-UHFFFAOYSA-N -1 0 414.219 2.533 20 30 HFEDRM COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1c(F)cc([O-])cc1F ZINC000746986803 1077326206 /nfs/dbraw/zinc/32/62/06/1077326206.db2.gz NVYJQSQDNGCDFE-UHFFFAOYSA-N -1 0 421.400 2.792 20 30 HFEDRM Cc1sc(C(=O)[N-]n2c(C)c(Br)c(C)c(C#N)c2=O)cc1[N+](=O)[O-] ZINC000791172463 1077327231 /nfs/dbraw/zinc/32/72/31/1077327231.db2.gz BCUDOFJZRCEWKF-UHFFFAOYSA-N -1 0 411.237 2.761 20 30 HFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/CC2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000747033347 1077527389 /nfs/dbraw/zinc/52/73/89/1077527389.db2.gz QFLNVRAQTXYWMU-XSFVSMFZSA-N -1 0 403.460 2.820 20 30 HFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2oc(CC3CC3)nc2C)cc1OC ZINC000789344999 1077528869 /nfs/dbraw/zinc/52/88/69/1077528869.db2.gz UHDLZMWJBNMGSY-INIZCTEOSA-N -1 0 411.458 2.634 20 30 HFEDRM CCc1c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2OC)cnn1C1CCCC1 ZINC000789425324 1077556586 /nfs/dbraw/zinc/55/65/86/1077556586.db2.gz ORCLPRGNAIKIIB-UHFFFAOYSA-N -1 0 402.476 2.560 20 30 HFEDRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc([N+](=O)[O-])c1C ZINC000791799932 1077560859 /nfs/dbraw/zinc/56/08/59/1077560859.db2.gz AERKJSCWJORCGF-UHFFFAOYSA-N -1 0 409.807 2.556 20 30 HFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCOCC(F)(F)C(F)(F)F)cc1Cl ZINC000791802425 1077561134 /nfs/dbraw/zinc/56/11/34/1077561134.db2.gz XEBDPYFPDNMMLC-UHFFFAOYSA-N -1 0 420.743 2.621 20 30 HFEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnn(-c2ccccc2)c1Br ZINC000791783364 1077568194 /nfs/dbraw/zinc/56/81/94/1077568194.db2.gz LNWCFGRYJTYZII-ZDUSSCGKSA-N -1 0 410.231 2.991 20 30 HFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cccnc2OCc2ccccc2F)CCC1 ZINC000791883826 1077585728 /nfs/dbraw/zinc/58/57/28/1077585728.db2.gz YJLBQAOTLNBYMZ-UHFFFAOYSA-N -1 0 403.435 2.553 20 30 HFEDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)CSCc1ccc(C#N)cc1 ZINC000789477543 1077608358 /nfs/dbraw/zinc/60/83/58/1077608358.db2.gz CUHOSOCYIJGJDO-UHFFFAOYSA-N -1 0 405.457 2.513 20 30 HFEDRM C[C@@H](CC(=O)OCC#Cc1ccccc1Cl)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000747071827 1077830035 /nfs/dbraw/zinc/83/00/35/1077830035.db2.gz VHYVLBYHIREQHD-AWEZNQCLSA-N -1 0 416.886 2.752 20 30 HFEDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000789890787 1077851973 /nfs/dbraw/zinc/85/19/73/1077851973.db2.gz MIBFHISPTRVBLM-NEPJUHHUSA-N -1 0 406.202 2.833 20 30 HFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000790069242 1077921153 /nfs/dbraw/zinc/92/11/53/1077921153.db2.gz VRLQGDASUAWDIM-UHFFFAOYSA-N -1 0 409.847 2.948 20 30 HFEDRM COc1ccc(C)cc1/C=C/C(=O)c1cccc(S(=O)(=O)NCCC(=O)[O-])c1 ZINC000747086900 1077997894 /nfs/dbraw/zinc/99/78/94/1077997894.db2.gz 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ZINC000789490849 1077592639 /nfs/dbraw/zinc/59/26/39/1077592639.db2.gz DOSMHHPEVCNYTC-ROUUACIJSA-N -1 0 400.381 2.771 20 30 HFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CCC(=O)OC(C)C)cc2[n-]c1=S ZINC000792597783 1077920140 /nfs/dbraw/zinc/92/01/40/1077920140.db2.gz HBWCXNZQRKRRMV-CYBMUJFWSA-N -1 0 403.504 2.721 20 30 HFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000792589529 1077924693 /nfs/dbraw/zinc/92/46/93/1077924693.db2.gz UQNGPEFBIDJFMW-AWEZNQCLSA-N -1 0 416.831 2.506 20 30 HFEDRM O=C(/C=C\c1cnnn1Cc1ccccc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000792865773 1078011562 /nfs/dbraw/zinc/01/15/62/1078011562.db2.gz IMZSZWWIYWCRHT-CLFYSBASSA-N -1 0 404.470 2.760 20 30 HFEDRM N#Cc1cc(COC(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)ccn1 ZINC000747089192 1078012293 /nfs/dbraw/zinc/01/22/93/1078012293.db2.gz GQSNRBXEXMOFHJ-UHFFFAOYSA-N -1 0 400.441 2.568 20 30 HFEDRM C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000431853315 939161787 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