smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)[O-])cc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)c1 ZINC001594281215 957745539 /nfs/dbraw/zinc/74/55/39/957745539.db2.gz ACYFRIVLMSAGLY-ZDUSSCGKSA-N -1 1 326.377 3.517 20 30 EHEDMM Cc1cc(C(=O)[O-])cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1 ZINC001594281215 957745546 /nfs/dbraw/zinc/74/55/46/957745546.db2.gz ACYFRIVLMSAGLY-ZDUSSCGKSA-N -1 1 326.377 3.517 20 30 EHEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc2nc(C)ccc2c1 ZINC000783522454 978793344 /nfs/dbraw/zinc/79/33/44/978793344.db2.gz RMQAHPUXGHZCAW-UHFFFAOYSA-N -1 1 335.363 3.696 20 30 EHEDMM CC1(C#N)CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000833550890 979203509 /nfs/dbraw/zinc/20/35/09/979203509.db2.gz FBQKXOGPWHYRND-UHFFFAOYSA-N -1 1 332.400 3.864 20 30 EHEDMM CC[C@@](NCc1ccc(C#N)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595299257 980425921 /nfs/dbraw/zinc/42/59/21/980425921.db2.gz NRODKEBKGGFWGV-SFHVURJKSA-N -1 1 328.799 3.691 20 30 EHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)n[nH]2)c1 ZINC000126870556 1014972782 /nfs/dbraw/zinc/97/27/82/1014972782.db2.gz MJUVARFSRFYUND-UHFFFAOYSA-N -1 1 344.440 3.520 20 30 EHEDMM CC(C)(C(=O)[O-])[C@@H](NCc1cccc(F)c1C#N)c1ccccc1 ZINC001589600992 987424935 /nfs/dbraw/zinc/42/49/35/987424935.db2.gz DFBIBWHTMDOPIX-KRWDZBQOSA-N -1 1 326.371 3.639 20 30 EHEDMM CC(NC(=O)c1cc([O-])cc(C#N)c1)(c1ccccc1)c1ccccc1 ZINC000614367140 1018869078 /nfs/dbraw/zinc/86/90/78/1018869078.db2.gz NFHDQWUQTNDUDU-UHFFFAOYSA-N -1 1 342.398 3.957 20 30 EHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000025766582 1022107434 /nfs/dbraw/zinc/10/74/34/1022107434.db2.gz LGUVJYSDIURAJE-UHFFFAOYSA-N -1 1 327.192 3.666 20 30 EHEDMM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000425953119 1022421724 /nfs/dbraw/zinc/42/17/24/1022421724.db2.gz VNWRDMFLCYOZHH-UHFFFAOYSA-N -1 1 342.420 3.588 20 30 EHEDMM Cc1c(=O)[n-]c(SCc2cccc(C#N)c2)nc1-c1ccccc1 ZINC000185054553 1024272365 /nfs/dbraw/zinc/27/23/65/1024272365.db2.gz BAVLKHICBYKJIE-UHFFFAOYSA-N -1 1 333.416 3.909 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1-c1ccncc1 ZINC000427631754 1024542207 /nfs/dbraw/zinc/54/22/07/1024542207.db2.gz SNEJKABOSLPFHK-UHFFFAOYSA-N -1 1 349.415 3.730 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1[O-] ZINC000442874612 1025546971 /nfs/dbraw/zinc/54/69/71/1025546971.db2.gz RFKHRNIGDLZQRH-HXUWFJFHSA-N -1 1 342.398 3.978 20 30 EHEDMM N#Cc1ccc(C(=O)NC2(c3ccc(F)cc3F)CCCC2)cc1[O-] ZINC000443058718 1025675731 /nfs/dbraw/zinc/67/57/31/1025675731.db2.gz AKXYMHUVCBSPQT-UHFFFAOYSA-N -1 1 342.345 3.741 20 30 EHEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436540677 1025867703 /nfs/dbraw/zinc/86/77/03/1025867703.db2.gz SXWRCJOOVSKOPP-UHFFFAOYSA-N -1 1 346.770 3.782 20 30 EHEDMM C=CCOc1cccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000443342415 1025933351 /nfs/dbraw/zinc/93/33/51/1025933351.db2.gz HCFHHMRHZINAPD-UHFFFAOYSA-N -1 1 333.771 3.871 20 30 EHEDMM CCNc1ccc(C#N)cc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436750313 1026140147 /nfs/dbraw/zinc/14/01/47/1026140147.db2.gz FYLXBARNHYHBFA-UHFFFAOYSA-N -1 1 345.786 3.610 20 30 EHEDMM N#CCc1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000048830156 1027754499 /nfs/dbraw/zinc/75/44/99/1027754499.db2.gz AVHRKNHSSWSRLY-AWEZNQCLSA-N -1 1 329.281 3.657 20 30 EHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc4ccccc43)nc1-2 ZINC000429594647 1028198153 /nfs/dbraw/zinc/19/81/53/1028198153.db2.gz VIUWHDCXAYZPDM-GFCCVEGCSA-N -1 1 332.388 3.971 20 30 EHEDMM O=C(/C=C/c1cc2c(cc1Br)OCO2)c1ccc([O-])cc1 ZINC000007718040 1034334310 /nfs/dbraw/zinc/33/43/10/1034334310.db2.gz XQDPPRRCMJMWNL-ZZXKWVIFSA-N -1 1 347.164 3.780 20 30 EHEDMM CCc1ccc([C@@H]2CCCN(C(=O)c3cc([O-])cc(C#N)c3)C2)cc1 ZINC000588053090 1035710310 /nfs/dbraw/zinc/71/03/10/1035710310.db2.gz NLAOSXIYYBAUIX-GOSISDBHSA-N -1 1 334.419 3.846 20 30 EHEDMM CC[C@@H](C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc2ccccc2[nH]1 ZINC000442723677 1036184358 /nfs/dbraw/zinc/18/43/58/1036184358.db2.gz SVMNRWUBAKCULN-KZULUSFZSA-N -1 1 348.406 3.657 20 30 EHEDMM CC[C@H](C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000589169519 1036270993 /nfs/dbraw/zinc/27/09/93/1036270993.db2.gz XUKBQORPFOCUFN-SGTLLEGYSA-N -1 1 348.406 3.657 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NCCc2ccc(Cl)cc2Cl)c1 ZINC000589158125 1036283580 /nfs/dbraw/zinc/28/35/80/1036283580.db2.gz FFNHWHWEIKKKQX-UHFFFAOYSA-N -1 1 335.190 3.543 20 30 EHEDMM Cc1nc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1-c1ccccc1 ZINC000589541685 1036482411 /nfs/dbraw/zinc/48/24/11/1036482411.db2.gz OLDDLATUZPIEKX-UHFFFAOYSA-N -1 1 329.359 3.887 20 30 EHEDMM CCc1ccc([C@@H](C#N)NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000589900754 1036670906 /nfs/dbraw/zinc/67/09/06/1036670906.db2.gz IMIRDPMUCCHTII-OAHLLOKOSA-N -1 1 348.324 3.968 20 30 EHEDMM Cc1cc(F)ccc1C1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000590407575 1036865682 /nfs/dbraw/zinc/86/56/82/1036865682.db2.gz NFZOCAQQLYKOGM-UHFFFAOYSA-N -1 1 338.382 3.731 20 30 EHEDMM N#Cc1ccc(C(=O)N2CC=C(c3ccccc3Cl)CC2)cc1[O-] ZINC000443124534 1036994597 /nfs/dbraw/zinc/99/45/97/1036994597.db2.gz BPMOFLTXFSNRII-UHFFFAOYSA-N -1 1 338.794 3.847 20 30 EHEDMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(CC#N)c2)c1 ZINC000182904655 1037922235 /nfs/dbraw/zinc/92/22/35/1037922235.db2.gz UYGRWLCJYVZEGQ-UHFFFAOYSA-N -1 1 345.196 3.782 20 30 EHEDMM Cc1ncc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)s1 ZINC001212130575 1039304938 /nfs/dbraw/zinc/30/49/38/1039304938.db2.gz XMXDPHCTBFRSAG-REZTVBANSA-N -1 1 343.437 3.730 20 30 EHEDMM C=CCCC(C)(C)CNC(=O)c1cc(Br)ccc1[O-] ZINC000709387605 1040912381 /nfs/dbraw/zinc/91/23/81/1040912381.db2.gz CDLBORTWYABXMK-UHFFFAOYSA-N -1 1 326.234 3.877 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(-c3cccs3)cs2)c1 ZINC000614293691 1040953721 /nfs/dbraw/zinc/95/37/21/1040953721.db2.gz UDFDGMJHTVDDDN-UHFFFAOYSA-N -1 1 327.390 3.701 20 30 EHEDMM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614299406 1040964907 /nfs/dbraw/zinc/96/49/07/1040964907.db2.gz XZJHHLPWWQLOHR-LBPRGKRZSA-N -1 1 328.799 3.620 20 30 EHEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(-c3ccccc3)cs2)c(=O)o1 ZINC000125781351 1042701831 /nfs/dbraw/zinc/70/18/31/1042701831.db2.gz YADAJYGLFWQINV-DVBCCOPCSA-N -1 1 338.384 3.643 20 30 EHEDMM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000112222404 1044587914 /nfs/dbraw/zinc/58/79/14/1044587914.db2.gz UHSZRTBKRQPJHG-HNNXBMFYSA-N -1 1 341.374 3.547 20 30 EHEDMM C=CCC(F)(F)C(=O)[N-]Cc1cc(F)c(Br)cc1F ZINC000862947200 1137164889 /nfs/dbraw/zinc/16/48/89/1137164889.db2.gz XIOJYCXDEHAJAY-UHFFFAOYSA-N -1 1 340.114 3.555 20 30 EHEDMM Cc1nc(-c2ccc(N[C@@H](C)c3ccc(C#N)cc3)nc2)[n-]c(=O)c1C ZINC000301388582 1128589020 /nfs/dbraw/zinc/58/90/20/1128589020.db2.gz YOCQTJIFLTVNCQ-AWEZNQCLSA-N -1 1 345.406 3.906 20 30 EHEDMM C=CCOc1ccc(/C=C\C(=O)Nc2cccc(F)c2[O-])cc1OC ZINC001648851099 1120054297 /nfs/dbraw/zinc/05/42/97/1120054297.db2.gz UYADHXAATQNLLK-NTMALXAHSA-N -1 1 343.354 3.757 20 30 EHEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc([O-])c(F)c3)cn2)c1 ZINC000613445991 1120938368 /nfs/dbraw/zinc/93/83/68/1120938368.db2.gz ZMOLSGZVODQOOR-UHFFFAOYSA-N -1 1 349.321 3.843 20 30 EHEDMM [O-]c1c(Br)cccc1C=NNCc1ccc(F)c(F)c1 ZINC000915976858 1122003533 /nfs/dbraw/zinc/00/35/33/1122003533.db2.gz QYDLYGJUPNPKGX-UHFFFAOYSA-N -1 1 341.155 3.557 20 30 EHEDMM CCCNN=C(C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000915965903 1122010768 /nfs/dbraw/zinc/01/07/68/1122010768.db2.gz RIBQOTJPASNWTL-UHFFFAOYSA-N -1 1 345.468 3.519 20 30 EHEDMM C=CC1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1 ZINC000129466368 1122785493 /nfs/dbraw/zinc/78/54/93/1122785493.db2.gz YYNGAXXZXABQGQ-UHFFFAOYSA-N -1 1 346.427 3.777 20 30 EHEDMM CCOc1ccc(NC(=S)NN=Cc2ccc([O-])c(Cl)c2)cc1 ZINC000921254171 1123494653 /nfs/dbraw/zinc/49/46/53/1123494653.db2.gz WABSTYGTNKYQJF-UHFFFAOYSA-N -1 1 349.843 3.765 20 30 EHEDMM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000069610202 1124933848 /nfs/dbraw/zinc/93/38/48/1124933848.db2.gz FCDHGBAOHVHCFD-QMMMGPOBSA-N -1 1 347.421 3.967 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c(F)c1 ZINC000619526792 1125358105 /nfs/dbraw/zinc/35/81/05/1125358105.db2.gz IQHHBPMTYCPUKY-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM CN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619581383 1125367981 /nfs/dbraw/zinc/36/79/81/1125367981.db2.gz NBUNNBHDYYFYQB-UHFFFAOYSA-N -1 1 334.297 3.555 20 30 EHEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000619582574 1125368028 /nfs/dbraw/zinc/36/80/28/1125368028.db2.gz KNHIGGVIWPAUQD-MEBBXXQBSA-N -1 1 326.318 3.613 20 30 EHEDMM N#Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1[O-] ZINC000329147120 1129593012 /nfs/dbraw/zinc/59/30/12/1129593012.db2.gz AUDJGPBFNPGZHD-QRVBRYPASA-N -1 1 332.403 3.672 20 30 EHEDMM C=CCCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000740177755 1131520740 /nfs/dbraw/zinc/52/07/40/1131520740.db2.gz GQEABHYVVSHMEE-UHFFFAOYSA-N -1 1 345.420 3.529 20 30 EHEDMM Cc1cc(=O)[n-]c(NN=C2C[C@H](C)c3c2cccc3Br)n1 ZINC000743419353 1131917987 /nfs/dbraw/zinc/91/79/87/1131917987.db2.gz SWWWQDYMXAAVOQ-QMMMGPOBSA-N -1 1 347.216 3.577 20 30 EHEDMM O=c1[n-]c(=S)[nH]c(Nc2ccccc2O)c1N=Cc1ccccc1 ZINC001206201438 1132084508 /nfs/dbraw/zinc/08/45/08/1132084508.db2.gz FRUYPNOOXKUBGY-VCHYOVAHSA-N -1 1 338.392 3.671 20 30 EHEDMM N#CCCN(CC1CC1)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000103459317 1132887362 /nfs/dbraw/zinc/88/73/62/1132887362.db2.gz XYWYZKMHTLFKGX-UHFFFAOYSA-N -1 1 333.505 3.647 20 30 EHEDMM C[C@H]1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C[C@@H]1C ZINC000767377891 1132992305 /nfs/dbraw/zinc/99/23/05/1132992305.db2.gz KBOLZILDZSWMQM-QWRGUYRKSA-N -1 1 330.436 3.511 20 30 EHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000769834323 1133354328 /nfs/dbraw/zinc/35/43/28/1133354328.db2.gz ONIISSMEGSEMKP-UHFFFAOYSA-N -1 1 326.421 3.546 20 30 EHEDMM CC(=C\c1cccc([N+](=O)[O-])c1)/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000787172204 1133966294 /nfs/dbraw/zinc/96/62/94/1133966294.db2.gz SQNZPYQSSHYHFU-MHBAEANFSA-N -1 1 325.320 3.848 20 30 EHEDMM CC(N=Nc1nnc(-c2ccccn2)s1)c1ccc([O-])c(Cl)c1 ZINC000788029386 1134067761 /nfs/dbraw/zinc/06/77/61/1134067761.db2.gz VMLNNRARJSXGGM-UHFFFAOYSA-N -1 1 345.815 3.795 20 30 EHEDMM N#Cc1ccc(-c2csc(NC(=O)c3ccc([O-])c(F)c3)n2)s1 ZINC001186208481 1134187634 /nfs/dbraw/zinc/18/76/34/1134187634.db2.gz FGRJPKRWDZEFQH-UHFFFAOYSA-N -1 1 345.380 3.840 20 30 EHEDMM N#Cc1cc(NC(=O)Nc2cccc(Br)c2)ccc1[O-] ZINC001187464124 1134337885 /nfs/dbraw/zinc/33/78/85/1134337885.db2.gz LVJIHIVACDUPFN-UHFFFAOYSA-N -1 1 332.157 3.670 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1c(C)cccc1C(=O)OC ZINC001188013449 1134415885 /nfs/dbraw/zinc/41/58/85/1134415885.db2.gz YTBQXHPTVQEQBX-UHFFFAOYSA-N -1 1 341.473 3.884 20 30 EHEDMM CC(C)(C)c1ccc(N=Cc2ccc(O)c([O-])c2O)cc1[N+](=O)[O-] ZINC000790575202 1134442504 /nfs/dbraw/zinc/44/25/04/1134442504.db2.gz PZMLAGGVMSWRAD-UHFFFAOYSA-N -1 1 330.340 3.760 20 30 EHEDMM N#CCc1cc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)ccc1F ZINC001188588982 1134485852 /nfs/dbraw/zinc/48/58/52/1134485852.db2.gz KHDZKRIMFUEQSG-UHFFFAOYSA-N -1 1 338.260 3.868 20 30 EHEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000076946941 1134610856 /nfs/dbraw/zinc/61/08/56/1134610856.db2.gz DOCCZJNZWJEGFO-PHDIDXHHSA-N -1 1 330.232 3.780 20 30 EHEDMM N#Cc1c(F)cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1F ZINC001190513092 1134709272 /nfs/dbraw/zinc/70/92/72/1134709272.db2.gz ZJTCDIXJKNWEDY-UHFFFAOYSA-N -1 1 334.347 3.515 20 30 EHEDMM C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000804452407 1135071251 /nfs/dbraw/zinc/07/12/51/1135071251.db2.gz HEECAQQSSWPLCS-OAHLLOKOSA-N -1 1 347.336 3.775 20 30 EHEDMM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ccc(C#N)cc1O ZINC001195733228 1135455641 /nfs/dbraw/zinc/45/56/41/1135455641.db2.gz FPUOXRUGHHPTLA-UHFFFAOYSA-N -1 1 345.449 3.663 20 30 EHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCC4(CCC4)C3)c2)c1 ZINC001196315257 1135541870 /nfs/dbraw/zinc/54/18/70/1135541870.db2.gz ACKRSUVOARMJBH-UHFFFAOYSA-N -1 1 332.403 3.947 20 30 EHEDMM N#Cc1ccccc1NC(=S)Nc1c([O-])cccc1Br ZINC001196319812 1135545625 /nfs/dbraw/zinc/54/56/25/1135545625.db2.gz DGAMNUVGNINLPU-UHFFFAOYSA-N -1 1 348.225 3.835 20 30 EHEDMM CCC(N=Nc1ccc([N+](=O)[O-])cc1C)c1ccc(C(=O)[O-])cc1 ZINC000807990207 1135599402 /nfs/dbraw/zinc/59/94/02/1135599402.db2.gz XHUFAGVUTMWQSQ-UHFFFAOYSA-N -1 1 327.340 3.828 20 30 EHEDMM CCCC1N=NC(=S)N1N=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000808009052 1135604071 /nfs/dbraw/zinc/60/40/71/1135604071.db2.gz ZVRIVFHSQUUSOY-UHFFFAOYSA-N -1 1 346.843 3.914 20 30 EHEDMM N#Cc1cccc(NC(=S)Nc2cccc([O-])c2Br)c1 ZINC001197718454 1135723140 /nfs/dbraw/zinc/72/31/40/1135723140.db2.gz MARPUBOCFFZNKG-UHFFFAOYSA-N -1 1 348.225 3.835 20 30 EHEDMM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ocnc1C1CC1 ZINC000808979561 1135761881 /nfs/dbraw/zinc/76/18/81/1135761881.db2.gz KACBKYGUTIBTSD-OAHLLOKOSA-N -1 1 345.358 3.666 20 30 EHEDMM COCCOCc1ccc(/C=C/C(=O)c2cc(C)ccc2[O-])cc1 ZINC000809157932 1135791993 /nfs/dbraw/zinc/79/19/93/1135791993.db2.gz PCXFNLXYBXXBDW-CSKARUKUSA-N -1 1 326.392 3.760 20 30 EHEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(SC)o2)cc1 ZINC000112483961 1136635579 /nfs/dbraw/zinc/63/55/79/1136635579.db2.gz VOFFQVGWRIKUND-CYBMUJFWSA-N -1 1 328.393 3.525 20 30 EHEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OCC2CCC2)s1 ZINC000856344207 1136778813 /nfs/dbraw/zinc/77/88/13/1136778813.db2.gz KBGYFBYFNAHMGF-UHFFFAOYSA-N -1 1 346.905 3.687 20 30 EHEDMM O=C1c2cccc(O)c2C/C1=C/c1ccc([O-])c(Br)c1 ZINC000011336243 1136827141 /nfs/dbraw/zinc/82/71/41/1136827141.db2.gz NRARXSXRJOUDQD-POHAHGRESA-N -1 1 331.165 3.683 20 30 EHEDMM O=C(/C=C/c1cscc1Br)c1cc(O)ccc1[O-] ZINC000794703531 1137240263 /nfs/dbraw/zinc/24/02/63/1137240263.db2.gz VKJXRHYWHNQDJI-HNQUOIGGSA-N -1 1 325.183 3.818 20 30 EHEDMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000844828605 1137257583 /nfs/dbraw/zinc/25/75/83/1137257583.db2.gz JYLFXRDMZIVREE-UHFFFAOYSA-N -1 1 349.843 3.645 20 30 EHEDMM C#C[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccc(F)cc1 ZINC000794893504 1137325395 /nfs/dbraw/zinc/32/53/95/1137325395.db2.gz 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XYMKVOHNBCTODW-DUXPYHPUSA-N -1 1 328.162 3.646 20 30 EHEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000055639951 1028281105 /nfs/dbraw/zinc/28/11/05/1028281105.db2.gz WISMGSIPTAHTFP-UHFFFAOYSA-N -1 1 348.399 3.618 20 30 EHEDMM N#Cc1ccccc1OCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445449008 1028782207 /nfs/dbraw/zinc/78/22/07/1028782207.db2.gz NDAOSBDCOLXVQS-UHFFFAOYSA-N -1 1 327.727 3.546 20 30 EHEDMM COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cc(C)ccc1[O-] ZINC000757467897 1029588657 /nfs/dbraw/zinc/58/86/57/1029588657.db2.gz NEOHNWFQDWQGSA-SOFGYWHQSA-N -1 1 328.364 3.623 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(C(=O)OC(C)(C)C)c2)n1 ZINC000093242889 1030576163 /nfs/dbraw/zinc/57/61/63/1030576163.db2.gz IVXJWCJQFLWGDA-AWEZNQCLSA-N -1 1 342.420 3.897 20 30 EHEDMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1C ZINC000063878756 1033802469 /nfs/dbraw/zinc/80/24/69/1033802469.db2.gz HWPNHJMWNXOZOR-UHFFFAOYSA-N -1 1 328.437 3.901 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC3(CCc4ccccc4C3)CC2)c1 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20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(c3cccc(F)c3F)CC2)c1 ZINC000589205357 1036308240 /nfs/dbraw/zinc/30/82/40/1036308240.db2.gz LYEVMVBZDCWEFS-UHFFFAOYSA-N -1 1 342.345 3.562 20 30 EHEDMM Cc1oc2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2c1C ZINC000475815276 1036419233 /nfs/dbraw/zinc/41/92/33/1036419233.db2.gz RVYZADIITXIJQH-UHFFFAOYSA-N -1 1 340.404 3.917 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1[O-] ZINC000442874611 1036653062 /nfs/dbraw/zinc/65/30/62/1036653062.db2.gz RFKHRNIGDLZQRH-FQEVSTJZSA-N -1 1 342.398 3.978 20 30 EHEDMM C=CCN(Cc1ccccc1)C(=O)c1cc(Br)ccc1[O-] ZINC000195532102 1039016961 /nfs/dbraw/zinc/01/69/61/1039016961.db2.gz IMYAZUHLMHZZCY-UHFFFAOYSA-N -1 1 346.224 3.983 20 30 EHEDMM Cc1cc(C(C#N)=C([O-])c2cc3c(s2)CC[C@@H](C)C3)nc(C)n1 ZINC000041574631 1039316304 /nfs/dbraw/zinc/31/63/04/1039316304.db2.gz CCVDNMFCZJEFBI-QMTHXVAHSA-N -1 1 325.437 3.770 20 30 EHEDMM C=CCOc1cccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000417711775 1040191403 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CCCCCC1=C(C)CCC1=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914599498 1120921294 /nfs/dbraw/zinc/92/12/94/1120921294.db2.gz DYMOVOAGKZUAAA-UHFFFAOYSA-N -1 1 345.468 3.772 20 30 EHEDMM COc1cc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cc(Cl)c1O ZINC000915988998 1122013479 /nfs/dbraw/zinc/01/34/79/1122013479.db2.gz RZCIPNBZQKQKND-NSIKDUERSA-N -1 1 332.739 3.684 20 30 EHEDMM Cc1cc(=O)[n-]c(NN=Cc2ccccc2OCc2ccccc2)n1 ZINC000916241576 1122106716 /nfs/dbraw/zinc/10/67/16/1122106716.db2.gz LRHGCRVHXHSXFR-UHFFFAOYSA-N -1 1 334.379 3.516 20 30 EHEDMM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccc(C)o1 ZINC000916902645 1122383159 /nfs/dbraw/zinc/38/31/59/1122383159.db2.gz HVCSUUXHECUOJN-LLVKDONJSA-N -1 1 346.770 3.520 20 30 EHEDMM CC(C)n1nc(-c2ccco2)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000619167127 1125298598 /nfs/dbraw/zinc/29/85/98/1125298598.db2.gz NXGOAPCUXCTARQ-UHFFFAOYSA-N -1 1 336.351 3.554 20 30 EHEDMM CCc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1CC ZINC000619463690 1125350459 /nfs/dbraw/zinc/35/04/59/1125350459.db2.gz 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CN(Cc1ccc(C(=O)[O-])cc1)Cc1cc(Cl)ccc1OCC#N ZINC000737471360 600316903 /nfs/dbraw/zinc/31/69/03/600316903.db2.gz VQXUIDUNQLANNL-UHFFFAOYSA-N -1 1 344.798 3.573 20 30 EHEDMM CC[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000736920110 600598979 /nfs/dbraw/zinc/59/89/79/600598979.db2.gz NNNHDURIFXKIOU-DLBZAZTESA-N -1 1 330.334 3.703 20 30 EHEDMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)cc1Cl ZINC000736661368 600598986 /nfs/dbraw/zinc/59/89/86/600598986.db2.gz GDYOJEGAJAZEGZ-HWPZZCPQSA-N -1 1 332.762 3.827 20 30 EHEDMM CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827063230 601296539 /nfs/dbraw/zinc/29/65/39/601296539.db2.gz XZYZYPWYZYHRTG-AUUYWEPGSA-N -1 1 338.407 3.822 20 30 EHEDMM O=C(C=Cc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400616 608093732 /nfs/dbraw/zinc/09/37/32/608093732.db2.gz CJNUDKFDRFXZNX-DUXPYHPUSA-N -1 1 334.763 3.617 20 30 EHEDMM O=C(C=Cc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400616 608093733 /nfs/dbraw/zinc/09/37/33/608093733.db2.gz CJNUDKFDRFXZNX-DUXPYHPUSA-N -1 1 334.763 3.617 20 30 EHEDMM C=CCCCCCCNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001573334827 947464319 /nfs/dbraw/zinc/46/43/19/947464319.db2.gz INVITDPNELYICV-UHFFFAOYSA-N -1 1 340.353 3.829 20 30 EHEDMM C=CCCCCCCNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001573334827 947464324 /nfs/dbraw/zinc/46/43/24/947464324.db2.gz INVITDPNELYICV-UHFFFAOYSA-N -1 1 340.353 3.829 20 30 EHEDMM Cc1cc(C(=O)[O-])cc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c1 ZINC001594281214 957745222 /nfs/dbraw/zinc/74/52/22/957745222.db2.gz ACYFRIVLMSAGLY-CYBMUJFWSA-N -1 1 326.377 3.517 20 30 EHEDMM Cc1cc(C(=O)[O-])cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1 ZINC001594281214 957745230 /nfs/dbraw/zinc/74/52/30/957745230.db2.gz ACYFRIVLMSAGLY-CYBMUJFWSA-N -1 1 326.377 3.517 20 30 EHEDMM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1OC(F)F ZINC001593195083 994144242 /nfs/dbraw/zinc/14/42/42/994144242.db2.gz PNJBXXGMQMCZNQ-BDJLRTHQSA-N -1 1 346.333 3.636 20 30 EHEDMM C=CCOc1ccc(/C=C\C(=O)Nc2c([O-])cccc2F)cc1OC ZINC000760196752 1032142645 /nfs/dbraw/zinc/14/26/45/1032142645.db2.gz RYZAPHONEOBPAG-NTMALXAHSA-N -1 1 343.354 3.757 20 30 EHEDMM N#C[C@@]1(NC(=O)c2ccc3ccccc3c2[O-])CCc2ccccc2C1 ZINC000436876825 1021325711 /nfs/dbraw/zinc/32/57/11/1021325711.db2.gz BNVGSKVWTRPVSL-JOCHJYFZSA-N -1 1 342.398 3.726 20 30 EHEDMM CCSCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000157876047 1021376591 /nfs/dbraw/zinc/37/65/91/1021376591.db2.gz BNEKQIIZWCRBJO-UHFFFAOYSA-N -1 1 332.450 3.612 20 30 EHEDMM COc1cc(C(=O)NCC2(OC)CCCCC2)cc(Cl)c1[O-] ZINC000331280101 1022774726 /nfs/dbraw/zinc/77/47/26/1022774726.db2.gz QFISXKNEKWMTLY-UHFFFAOYSA-N -1 1 327.808 3.708 20 30 EHEDMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000436171007 1025443461 /nfs/dbraw/zinc/44/34/61/1025443461.db2.gz NDVCCKOWAFAPQZ-UHFFFAOYSA-N -1 1 345.811 3.802 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1[O-] ZINC000442953818 1025606555 /nfs/dbraw/zinc/60/65/55/1025606555.db2.gz PQFGUALEEPSIQR-ZDUSSCGKSA-N -1 1 346.173 3.565 20 30 EHEDMM C[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(C#N)cc1 ZINC000436726760 1026076542 /nfs/dbraw/zinc/07/65/42/1026076542.db2.gz ZBRNMNNKYZGRKV-SNVBAGLBSA-N -1 1 345.196 3.517 20 30 EHEDMM CCOc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc(Cl)c1[O-] ZINC000277585362 1026165825 /nfs/dbraw/zinc/16/58/25/1026165825.db2.gz RUYRXZRZZGOFHR-CQSZACIVSA-N -1 1 336.819 3.599 20 30 EHEDMM COc1cc(/C=C2\Cc3cc([O-])ccc3C2=O)ccc1OC(F)F ZINC000588534944 1026779378 /nfs/dbraw/zinc/77/93/78/1026779378.db2.gz BNLURHCXTFBSOL-WUXMJOGZSA-N -1 1 332.302 3.825 20 30 EHEDMM C=CCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444366981 1026880074 /nfs/dbraw/zinc/88/00/74/1026880074.db2.gz QIRAALITBRVLHV-UHFFFAOYSA-N -1 1 330.428 3.750 20 30 EHEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000088547149 1028399436 /nfs/dbraw/zinc/39/94/36/1028399436.db2.gz MCXYVRMQOIDFPN-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM CCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)s1 ZINC000088547228 1028399495 /nfs/dbraw/zinc/39/94/95/1028399495.db2.gz LYFACEFDRGNPTF-UHFFFAOYSA-N -1 1 326.830 3.636 20 30 EHEDMM N#Cc1ccc(NCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445452428 1028818343 /nfs/dbraw/zinc/81/83/43/1028818343.db2.gz CPFUAJFREHXJIX-UHFFFAOYSA-N -1 1 326.743 3.579 20 30 EHEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000343357242 1030483801 /nfs/dbraw/zinc/48/38/01/1030483801.db2.gz RRIFBZBKHUXSTP-JTQLQIEISA-N -1 1 330.369 3.569 20 30 EHEDMM COc1cc(C(=O)/C=C/c2ccc([O-])c(Br)c2)ccc1O ZINC000041106842 1031837699 /nfs/dbraw/zinc/83/76/99/1031837699.db2.gz ORIJMVHIYSYJFR-GORDUTHDSA-N -1 1 349.180 3.765 20 30 EHEDMM Cc1nn(C(C)(C)C)c(C)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000613286930 1035495011 /nfs/dbraw/zinc/49/50/11/1035495011.db2.gz OISMMEWEYPFQFA-AWEZNQCLSA-N -1 1 349.438 3.632 20 30 EHEDMM O=C(/C=C/c1ccccc1OCc1cccnc1)c1cc(O)ccc1[O-] ZINC000156649006 1035571765 /nfs/dbraw/zinc/57/17/65/1035571765.db2.gz FBPZEKBTURUCHO-VQHVLOKHSA-N -1 1 347.370 3.968 20 30 EHEDMM COc1ccccc1C(C)=CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000066629086 1036019088 /nfs/dbraw/zinc/01/90/88/1036019088.db2.gz ZQMSEQJQDYGTBT-BQYQJAHWSA-N -1 1 326.278 3.524 20 30 EHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000125315016 1036280195 /nfs/dbraw/zinc/28/01/95/1036280195.db2.gz ADYRNOUXRPZOHD-UHFFFAOYSA-N -1 1 347.465 3.513 20 30 EHEDMM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)c(OCC2CC2)c1 ZINC000190787497 1036295449 /nfs/dbraw/zinc/29/54/49/1036295449.db2.gz LMOOLIXKPLTQQE-HNNXBMFYSA-N -1 1 342.420 3.739 20 30 EHEDMM N#Cc1ccc(C(=O)NCCc2cccc(Cl)c2Cl)cc1[O-] ZINC000442730003 1036324752 /nfs/dbraw/zinc/32/47/52/1036324752.db2.gz PRPZKHXLEGPPDZ-UHFFFAOYSA-N -1 1 335.190 3.543 20 30 EHEDMM N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000613524117 1036475974 /nfs/dbraw/zinc/47/59/74/1036475974.db2.gz UTMLPEHHVSYTGI-UHFFFAOYSA-N -1 1 346.361 4.000 20 30 EHEDMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000057123696 1036696443 /nfs/dbraw/zinc/69/64/43/1036696443.db2.gz KDZODWCIYFNDEO-ZDUSSCGKSA-N -1 1 330.409 3.536 20 30 EHEDMM C#C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(Cl)cc1F ZINC000491792720 1037676391 /nfs/dbraw/zinc/67/63/91/1037676391.db2.gz HBKYKUXQQAXTDK-LBPRGKRZSA-N -1 1 339.700 3.567 20 30 EHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000226136498 1037743880 /nfs/dbraw/zinc/74/38/80/1037743880.db2.gz WZBRSQBDYWEGHW-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM N#Cc1ccc(C(=O)NC2(Cc3ccc(Cl)cc3)CCC2)cc1[O-] ZINC000552836042 1039556368 /nfs/dbraw/zinc/55/63/68/1039556368.db2.gz KKULXHUQNCUUGY-UHFFFAOYSA-N -1 1 340.810 3.812 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000600191646 1040804147 /nfs/dbraw/zinc/80/41/47/1040804147.db2.gz LHHOEFKHJPXGJS-AWEZNQCLSA-N -1 1 342.345 3.562 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)c1 ZINC000614296878 1040945948 /nfs/dbraw/zinc/94/59/48/1040945948.db2.gz VZMIAFLGDQRSBH-UHFFFAOYSA-N -1 1 338.382 3.645 20 30 EHEDMM C=CCCC[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 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Cc1coc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)c1C#N ZINC001196309109 1135540978 /nfs/dbraw/zinc/54/09/78/1135540978.db2.gz MEDDSWAKLBHGRU-UHFFFAOYSA-N -1 1 343.342 3.956 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1C#N ZINC001201316577 1136005923 /nfs/dbraw/zinc/00/59/23/1136005923.db2.gz APANVNZSGBDFND-UHFFFAOYSA-N -1 1 326.421 3.546 20 30 EHEDMM N#CC(=C([O-])C=Cc1cncc(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000813214174 1136302868 /nfs/dbraw/zinc/30/28/68/1136302868.db2.gz UCKNFOCLECPFJE-FYDYADQUSA-N -1 1 335.260 3.524 20 30 EHEDMM [O-]c1cccc(C=NNCc2ccc(Br)cc2)c1Cl ZINC000814829428 1136509427 /nfs/dbraw/zinc/50/94/27/1136509427.db2.gz UQCVFJGLRJKAGQ-UHFFFAOYSA-N -1 1 339.620 3.932 20 30 EHEDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000777177320 1137099919 /nfs/dbraw/zinc/09/99/19/1137099919.db2.gz MNAGTZNSLJTLCL-UHFFFAOYSA-N -1 1 349.386 3.549 20 30 EHEDMM CC(C)C[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000825416889 1137177295 /nfs/dbraw/zinc/17/72/95/1137177295.db2.gz HBVRXKFEOFLIKJ-LBPRGKRZSA-N -1 1 345.187 3.595 20 30 EHEDMM CC(C)[C@H]1CCCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1 ZINC000794510363 1137181388 /nfs/dbraw/zinc/18/13/88/1137181388.db2.gz NJGHOGZCEMMAGN-LBPRGKRZSA-N -1 1 344.463 3.901 20 30 EHEDMM CCc1cc2c(CNc3ccc(CC#N)cc3)cc(=O)oc2cc1[O-] ZINC000015499405 1137266641 /nfs/dbraw/zinc/26/66/41/1137266641.db2.gz SGESBEVYEMVFIK-UHFFFAOYSA-N -1 1 334.375 3.739 20 30 EHEDMM CSc1cc2c(cc1N[C@@H](C)c1cccc(C#N)c1[O-])OCCO2 ZINC000866328449 1137345914 /nfs/dbraw/zinc/34/59/14/1137345914.db2.gz MPVWPBAEHINSJN-NSHDSACASA-N -1 1 342.420 3.930 20 30 EHEDMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000071798883 203114426 /nfs/dbraw/zinc/11/44/26/203114426.db2.gz GHBCLYFNGOARGD-UHFFFAOYSA-N -1 1 348.712 3.923 20 30 EHEDMM CC[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CC[C@H]1c1ccccc1 ZINC000188606079 523423062 /nfs/dbraw/zinc/42/30/62/523423062.db2.gz MYZMLNGJXKHKSC-DNVCBOLYSA-N -1 1 334.419 3.920 20 30 EHEDMM CN(Cc1ccc(F)cc1Cl)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830825257 601316611 /nfs/dbraw/zinc/31/66/11/601316611.db2.gz LUVOCKXZYQDZCZ-INIZCTEOSA-N -1 1 332.762 3.608 20 30 EHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H](C(C)(C)C)CC2)o1 ZINC000826322939 607531345 /nfs/dbraw/zinc/53/13/45/607531345.db2.gz ICYJVHRTGZXWSU-NSHDSACASA-N -1 1 331.424 3.557 20 30 EHEDMM CC(C)c1csc(C(C#N)C(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000824475917 603440383 /nfs/dbraw/zinc/44/03/83/603440383.db2.gz COUMFTBFASVZPX-GFCCVEGCSA-N -1 1 329.381 3.846 20 30 EHEDMM CC(C)c1csc(C(C#N)C(=O)c2ccc(CNC(=O)[O-])cc2)n1 ZINC000824476960 603440833 /nfs/dbraw/zinc/44/08/33/603440833.db2.gz WYRYZNMUJBBMNR-CYBMUJFWSA-N -1 1 343.408 3.524 20 30 EHEDMM CCC1(C)CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)CC1 ZINC000820950348 606341215 /nfs/dbraw/zinc/34/12/15/606341215.db2.gz MXQOUKZLHJMQRQ-UHFFFAOYSA-N -1 1 331.424 3.736 20 30 EHEDMM O=C(C=Cc1cc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400213 608093789 /nfs/dbraw/zinc/09/37/89/608093789.db2.gz SHNJMHYMFPVXFL-RJRFIUFISA-N -1 1 334.763 3.617 20 30 EHEDMM O=C(C=Cc1cc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400213 608093790 /nfs/dbraw/zinc/09/37/90/608093790.db2.gz SHNJMHYMFPVXFL-RJRFIUFISA-N -1 1 334.763 3.617 20 30 EHEDMM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc2cccnc12 ZINC000826266231 947769501 /nfs/dbraw/zinc/76/95/01/947769501.db2.gz HQXWCSGPIQNHTL-SNAWJCMRSA-N -1 1 347.403 3.681 20 30 EHEDMM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc2cccnc12 ZINC000826266231 947769507 /nfs/dbraw/zinc/76/95/07/947769507.db2.gz HQXWCSGPIQNHTL-SNAWJCMRSA-N -1 1 347.403 3.681 20 30 EHEDMM C=CCOc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1OC ZINC000255114215 1017680867 /nfs/dbraw/zinc/68/08/67/1017680867.db2.gz XUIFXQZGCTYUPY-DAXSKMNVSA-N -1 1 326.348 3.567 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Oc3ccncc3)cc2)c1 ZINC000614366230 1018864997 /nfs/dbraw/zinc/86/49/97/1018864997.db2.gz XYEJRIUGPQGSEH-UHFFFAOYSA-N -1 1 331.331 3.703 20 30 EHEDMM [O-]c1ccc(C=NNCCCc2ccccc2)cc1Br ZINC000729145809 1019203375 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30 EHEDMM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442983110 1025644923 /nfs/dbraw/zinc/64/49/23/1025644923.db2.gz NFFMCRFJSSUVCP-QGZVFWFLSA-N -1 1 333.391 3.556 20 30 EHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000443413247 1026012882 /nfs/dbraw/zinc/01/28/82/1026012882.db2.gz FPLZFHBLPJDTMN-UHFFFAOYSA-N -1 1 326.421 3.786 20 30 EHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000443424330 1026022091 /nfs/dbraw/zinc/02/20/91/1026022091.db2.gz UQRMZZPHKYWLNS-UHFFFAOYSA-N -1 1 332.381 3.514 20 30 EHEDMM N#CC(=C([O-])c1cccc(-n2cccn2)c1)c1nc2ccccc2s1 ZINC000342716318 1026817254 /nfs/dbraw/zinc/81/72/54/1026817254.db2.gz BUOLLWSFGZMQJR-OAHLLOKOSA-N -1 1 344.399 3.972 20 30 EHEDMM N#CCSc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445479520 1028836401 /nfs/dbraw/zinc/83/64/01/1028836401.db2.gz WDIRPLLIGDZDHM-UHFFFAOYSA-N -1 1 327.340 3.864 20 30 EHEDMM N#CC(=C([O-])c1ccc(F)c(F)c1)c1nc(-c2ccncc2)cs1 ZINC000114620871 1029547324 /nfs/dbraw/zinc/54/73/24/1029547324.db2.gz GIOBBGNOZVXJSO-LBPRGKRZSA-N -1 1 341.342 3.973 20 30 EHEDMM Cc1ccc([C@H]2CSCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188419947 1034459639 /nfs/dbraw/zinc/45/96/39/1034459639.db2.gz FJBVDPFJDHHLKT-QGZVFWFLSA-N -1 1 338.432 3.503 20 30 EHEDMM C=CCC1(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CCCC1 ZINC000456491194 1034497826 /nfs/dbraw/zinc/49/78/26/1034497826.db2.gz ZHKSOGHOGWRNGE-UHFFFAOYSA-N -1 1 331.460 3.654 20 30 EHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000188610417 1035357750 /nfs/dbraw/zinc/35/77/50/1035357750.db2.gz DZQLKSQMLIDLPY-AWEZNQCLSA-N -1 1 343.386 3.817 20 30 EHEDMM N#CC(=C([O-])c1cc(-c2ccoc2)[nH]n1)c1ccc2ccccc2n1 ZINC000613292714 1035500536 /nfs/dbraw/zinc/50/05/36/1035500536.db2.gz QUHKYZIKZRMKFF-AWEZNQCLSA-N -1 1 328.331 3.708 20 30 EHEDMM Cc1nc(-c2cccc(NC(=O)c3cc([O-])cc(C#N)c3)c2)cs1 ZINC000589166636 1036270416 /nfs/dbraw/zinc/27/04/16/1036270416.db2.gz XMROYOZYCPGWAO-UHFFFAOYSA-N -1 1 335.388 3.948 20 30 EHEDMM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589170692 1036271167 /nfs/dbraw/zinc/27/11/67/1036271167.db2.gz XTEGUNRJWIWDQQ-UHFFFAOYSA-N -1 1 335.190 3.843 20 30 EHEDMM CCSc1ccc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589177689 1036277008 /nfs/dbraw/zinc/27/70/08/1036277008.db2.gz JYMAIPZCSCCRBZ-GFCCVEGCSA-N -1 1 326.421 3.867 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2CCCc2ccccc2)c1 ZINC000589190236 1036300614 /nfs/dbraw/zinc/30/06/14/1036300614.db2.gz JLDVZRDVVOYYPD-IBGZPJMESA-N -1 1 334.419 3.891 20 30 EHEDMM CCc1ccc([C@H](C#N)NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000589900752 1036669796 /nfs/dbraw/zinc/66/97/96/1036669796.db2.gz IMIRDPMUCCHTII-HNNXBMFYSA-N -1 1 348.324 3.968 20 30 EHEDMM N#Cc1ccc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc1[O-] ZINC000442950178 1036766302 /nfs/dbraw/zinc/76/63/02/1036766302.db2.gz CXAAUYQCBWMNAD-LJQANCHMSA-N -1 1 332.403 3.946 20 30 EHEDMM C[C@H]1CCCc2ncc(C([O-])=C(C#N)c3nc4ccccc4s3)n21 ZINC000651260774 1037840870 /nfs/dbraw/zinc/84/08/70/1037840870.db2.gz XFVVULPLSCCLGA-RYUDHWBXSA-N -1 1 336.420 3.880 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1[O-] ZINC000443326384 1037885935 /nfs/dbraw/zinc/88/59/35/1037885935.db2.gz BMPWPNPRCWKYOQ-CQSZACIVSA-N -1 1 334.297 3.687 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)s1 ZINC000230332699 1041117881 /nfs/dbraw/zinc/11/78/81/1041117881.db2.gz GFYIYKBTBYVKAF-UHFFFAOYSA-N -1 1 333.221 3.727 20 30 EHEDMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000279823913 1044701529 /nfs/dbraw/zinc/70/15/29/1044701529.db2.gz BJPAYKRJCLVBEG-AWEZNQCLSA-N -1 1 344.436 3.731 20 30 EHEDMM O=C(/C=C\c1sccc1Br)c1cc(O)ccc1[O-] ZINC000764917643 1127551101 /nfs/dbraw/zinc/55/11/01/1127551101.db2.gz YBNXGUKWOWQKEH-ARJAWSKDSA-N -1 1 325.183 3.818 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 ZINC000225226179 1128496469 /nfs/dbraw/zinc/49/64/69/1128496469.db2.gz QPKRTYARVPYLSU-UHFFFAOYSA-N -1 1 333.221 3.727 20 30 EHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccc4[nH]ccc4c3)nc1-2 ZINC000765948977 1128858693 /nfs/dbraw/zinc/85/86/93/1128858693.db2.gz PYRRRURVCVCDCB-UYWPIULCSA-N -1 1 341.374 3.637 20 30 EHEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000187250113 1120491920 /nfs/dbraw/zinc/49/19/20/1120491920.db2.gz HBVVTUNHSJEEBR-UHFFFAOYSA-N -1 1 328.437 3.851 20 30 EHEDMM COc1ccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cc1OC(F)F ZINC000915988723 1122012516 /nfs/dbraw/zinc/01/25/16/1122012516.db2.gz DMBVUNJIHXXVDI-VIZOYTHASA-N -1 1 348.301 3.927 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c1 ZINC000618926632 1125243563 /nfs/dbraw/zinc/24/35/63/1125243563.db2.gz QCJSPOVXUJTEMB-UHFFFAOYSA-N -1 1 346.390 3.592 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NC2CC(F)(c3cccc(Cl)c3)C2)c1 ZINC000619544911 1125360285 /nfs/dbraw/zinc/36/02/85/1125360285.db2.gz XMSDOFNDHBTZMH-UHFFFAOYSA-N -1 1 344.773 3.674 20 30 EHEDMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619620488 1125374577 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O=C(N([O-])Cc1ccccc1Cl)C(F)(F)Cc1ccccc1 ZINC001184283261 1133923309 /nfs/dbraw/zinc/92/33/09/1133923309.db2.gz FCHPHKINFADHHY-UHFFFAOYSA-N -1 1 325.742 3.936 20 30 EHEDMM N#Cc1ccc(-c2ccccc2NC(=O)c2ccc([O-])c(F)c2)nc1 ZINC001186237605 1134185201 /nfs/dbraw/zinc/18/52/01/1134185201.db2.gz UENFHELVXPPVSZ-UHFFFAOYSA-N -1 1 333.322 3.717 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cc(OC)cc(Cl)n1 ZINC001187994974 1134410490 /nfs/dbraw/zinc/41/04/90/1134410490.db2.gz WUPQFWPAUZWZPS-UHFFFAOYSA-N -1 1 334.869 3.846 20 30 EHEDMM N#Cc1cccc(C(F)(F)F)c1NC(=O)c1ncc(C(F)(F)F)[n-]1 ZINC001188289245 1134446176 /nfs/dbraw/zinc/44/61/76/1134446176.db2.gz UDCLTHSQGMOMGU-UHFFFAOYSA-N -1 1 348.206 3.571 20 30 EHEDMM N#Cc1cccc(C(F)(F)F)c1NC(=O)c1nc(C(F)(F)F)c[n-]1 ZINC001188289245 1134446180 /nfs/dbraw/zinc/44/61/80/1134446180.db2.gz UDCLTHSQGMOMGU-UHFFFAOYSA-N -1 1 348.206 3.571 20 30 EHEDMM N#CC(=C([O-])C1=Cc2ccccc2OC1)c1nccc2ccccc21 ZINC000792106029 1134650231 /nfs/dbraw/zinc/65/02/31/1134650231.db2.gz 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EHEDMM N#CC(=C([O-])C=Cc1cncc(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000813214176 1136302950 /nfs/dbraw/zinc/30/29/50/1136302950.db2.gz UCKNFOCLECPFJE-UIIMQBOASA-N -1 1 335.260 3.524 20 30 EHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2C(C)C)n1 ZINC000850795210 1136307185 /nfs/dbraw/zinc/30/71/85/1136307185.db2.gz UZDQIFWPNMDJGG-CQSZACIVSA-N -1 1 342.420 3.933 20 30 EHEDMM CC(=NNc1ccc(C)cn1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814831528 1136512815 /nfs/dbraw/zinc/51/28/15/1136512815.db2.gz FYUZLOQXPDIPNO-UHFFFAOYSA-N -1 1 337.379 3.908 20 30 EHEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)oc2C)cc1 ZINC000815909889 1136647068 /nfs/dbraw/zinc/64/70/68/1136647068.db2.gz KTEMYGJGEKUNIY-BDJLRTHQSA-N -1 1 339.395 3.766 20 30 EHEDMM COc1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)c(Br)c1 ZINC000794711342 1137242300 /nfs/dbraw/zinc/24/23/00/1137242300.db2.gz CMGRMRAERNCYPO-WUXMJOGZSA-N -1 1 345.192 3.986 20 30 EHEDMM N#Cc1cccc(O[C@H]2CCCN(Cc3c(F)cc([O-])cc3F)C2)c1 ZINC001144559132 1137309761 /nfs/dbraw/zinc/30/97/61/1137309761.db2.gz JIMFXJLSOBYUEQ-INIZCTEOSA-N -1 1 344.361 3.585 20 30 EHEDMM COCCCOc1ccccc1N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866332361 1137346326 /nfs/dbraw/zinc/34/63/26/1137346326.db2.gz ZABZOTGKEPBMSB-AWEZNQCLSA-N -1 1 326.396 3.852 20 30 EHEDMM Cc1c(N[C@@H](C)c2cccc(C#N)c2[O-])cccc1N1CCOC1=O ZINC000866332584 1137346409 /nfs/dbraw/zinc/34/64/09/1137346409.db2.gz DAJYVFWVNDTQLB-ZDUSSCGKSA-N -1 1 337.379 3.702 20 30 EHEDMM COc1cccc(/C=C2\Oc3cc([O-])ccc3C2=O)c1OC(C)C ZINC000016976126 1137402307 /nfs/dbraw/zinc/40/23/07/1137402307.db2.gz LHSJKWUZMGDNMI-MFOYZWKCSA-N -1 1 326.348 3.804 20 30 EHEDMM C[C@@H]1CCC(C)(C)CC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000884430248 1137959708 /nfs/dbraw/zinc/95/97/08/1137959708.db2.gz JSBUWXRFBWCXPS-LLVKDONJSA-N -1 1 344.463 3.901 20 30 EHEDMM N#Cc1cccc([C@@H](NCc2cccc(Cl)c2Cl)C(=O)[O-])c1 ZINC000833074636 601303141 /nfs/dbraw/zinc/30/31/41/601303141.db2.gz BXQVNNIVUJIOJU-OAHLLOKOSA-N -1 1 335.190 3.781 20 30 EHEDMM N#Cc1cccc(CN[C@@H](CNC(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000833978610 605632279 /nfs/dbraw/zinc/63/22/79/605632279.db2.gz PYZCVIXAUAXLSN-FQEVSTJZSA-N -1 1 345.402 3.810 20 30 EHEDMM C#CCN(Cc1cc(C(=O)[O-])c(C(C)C)[nH]1)[C@H]1CCc2ccccc21 ZINC001573311571 962705447 /nfs/dbraw/zinc/70/54/47/962705447.db2.gz UGZLCJGBTTXXDD-IBGZPJMESA-N -1 1 336.435 3.959 20 30 EHEDMM Cc1ccc2oc(C([O-])=C(C#N)c3nc4cccc(C)c4[nH]3)cc2n1 ZINC000340246723 1016783332 /nfs/dbraw/zinc/78/33/32/1016783332.db2.gz WCSIUZMNOWRQIE-LBPRGKRZSA-N -1 1 330.347 3.811 20 30 EHEDMM CCCN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCc2ccccc2C1 ZINC000614365512 1018870451 /nfs/dbraw/zinc/87/04/51/1018870451.db2.gz PWNADFACJXHMIY-IBGZPJMESA-N -1 1 334.419 3.674 20 30 EHEDMM CSc1nc(C2CC2)cc(C(=O)Nc2ccccc2[O-])c1C#N ZINC000157797130 1020462172 /nfs/dbraw/zinc/46/21/72/1020462172.db2.gz HUEVZLKWWYDPAH-UHFFFAOYSA-N -1 1 325.393 3.510 20 30 EHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc(Oc2cnccn2)cc1 ZINC000255344080 1021314426 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CC(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000520915728 1025124883 /nfs/dbraw/zinc/12/48/83/1025124883.db2.gz TUZMYLCHRSGJSE-UHFFFAOYSA-N -1 1 328.437 3.948 20 30 EHEDMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000321038062 1025337363 /nfs/dbraw/zinc/33/73/63/1025337363.db2.gz DWYMABXICRVUQP-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3ccoc3c2)ccc1Cl ZINC000442837152 1025524930 /nfs/dbraw/zinc/52/49/30/1025524930.db2.gz NAWLESNHQHLULN-UHFFFAOYSA-N -1 1 332.768 3.759 20 30 EHEDMM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443053390 1025691235 /nfs/dbraw/zinc/69/12/35/1025691235.db2.gz BHUSHJIRTZWQBW-JTQLQIEISA-N -1 1 349.217 3.932 20 30 EHEDMM N#C[C@H](C(=O)c1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046706981 1027478539 /nfs/dbraw/zinc/47/85/39/1027478539.db2.gz XGMZJKKMJJDTEI-CYBMUJFWSA-N -1 1 349.415 3.766 20 30 EHEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(-c3ccccc3C)c2)c(=O)o1 ZINC000729641577 1027659508 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N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000589158629 1036284400 /nfs/dbraw/zinc/28/44/00/1036284400.db2.gz XPWRWNYUYARKQV-OAHLLOKOSA-N -1 1 344.823 3.884 20 30 EHEDMM CCCOc1cc(OC)ccc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000190774319 1036290267 /nfs/dbraw/zinc/29/02/67/1036290267.db2.gz ZVUKUHGNJLFRRV-CQSZACIVSA-N -1 1 330.409 3.739 20 30 EHEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(-c2ccncc2)cc1 ZINC000589188938 1036300380 /nfs/dbraw/zinc/30/03/80/1036300380.db2.gz RODPWTLLFRNKQE-AWEZNQCLSA-N -1 1 343.386 3.817 20 30 EHEDMM C[C@H](Oc1ccccc1Cl)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000045571174 1036510240 /nfs/dbraw/zinc/51/02/40/1036510240.db2.gz AKCIRSQALUVHPD-LURJTMIESA-N -1 1 334.685 3.532 20 30 EHEDMM C[C@H]1CCCc2ncc(C([O-])=C(C#N)c3nc(C4CC4)cs3)n21 ZINC000651381179 1038649246 /nfs/dbraw/zinc/64/92/46/1038649246.db2.gz SEQVQQIGOXRJCY-JQWIXIFHSA-N -1 1 326.425 3.604 20 30 EHEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(COC2CCCCC2)c1 ZINC000416934886 1039246493 /nfs/dbraw/zinc/24/64/93/1039246493.db2.gz FGGPPFOVUSYEMC-KRWDZBQOSA-N -1 1 336.457 3.580 20 30 EHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c1 ZINC000036393201 1040768300 /nfs/dbraw/zinc/76/83/00/1040768300.db2.gz DJOLXYHXUPVTNZ-UHFFFAOYSA-N -1 1 334.400 3.611 20 30 EHEDMM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)c1cccc(Cl)c1 ZINC000614298172 1040949194 /nfs/dbraw/zinc/94/91/94/1040949194.db2.gz OFETVZXZEGGYBK-UHFFFAOYSA-N -1 1 328.799 3.625 20 30 EHEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(-c3ccccc3)cs2)c(=O)o1 ZINC000125781563 1042701664 /nfs/dbraw/zinc/70/16/64/1042701664.db2.gz YADAJYGLFWQINV-JTHGQSKGSA-N -1 1 338.384 3.643 20 30 EHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000190302147 1042916676 /nfs/dbraw/zinc/91/66/76/1042916676.db2.gz BCDDMIBCHRFQEU-JTQLQIEISA-N -1 1 334.297 3.774 20 30 EHEDMM C=CCCC[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764803578 1127535438 /nfs/dbraw/zinc/53/54/38/1127535438.db2.gz ABUSXVOVEWECAS-LLVKDONJSA-N -1 1 341.249 3.699 20 30 EHEDMM C=C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000495957690 1121582565 /nfs/dbraw/zinc/58/25/65/1121582565.db2.gz QUYSAAVZZPPDNH-CQSZACIVSA-N -1 1 346.427 3.920 20 30 EHEDMM CCOc1cc(C=NNc2cccc([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000916268921 1122113344 /nfs/dbraw/zinc/11/33/44/1122113344.db2.gz GEQUKZFMEUTAGA-UHFFFAOYSA-N -1 1 335.747 3.799 20 30 EHEDMM CCCn1c2ccc(C#N)cc2nc1-c1[nH]nc2cc(C(=O)[O-])ccc21 ZINC000497841778 1122681085 /nfs/dbraw/zinc/68/10/85/1122681085.db2.gz UDKSMTPQNLONES-UHFFFAOYSA-N -1 1 345.362 3.559 20 30 EHEDMM Cc1nc(NC(=O)c2cc([O-])cc(C#N)c2)sc1Cc1ccccc1 ZINC000618445186 1125081756 /nfs/dbraw/zinc/08/17/56/1125081756.db2.gz AJGTUANSFDGWIN-UHFFFAOYSA-N -1 1 349.415 3.872 20 30 EHEDMM CC(C)(C)c1nc2cc(NC(=O)c3cc([O-])cc(C#N)c3)ccc2[nH]1 ZINC000619434516 1125349524 /nfs/dbraw/zinc/34/95/24/1125349524.db2.gz DZPAWJWPZXHQGY-UHFFFAOYSA-N -1 1 334.379 3.690 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000066587684 1129189892 /nfs/dbraw/zinc/18/98/92/1129189892.db2.gz SWPDKTQIXBWPKW-UHFFFAOYSA-N -1 1 345.420 3.645 20 30 EHEDMM N#Cc1cc(N)c(Nc2c(F)ccc([O-])c2F)cc1C(F)(F)F ZINC001175270475 1132625408 /nfs/dbraw/zinc/62/54/08/1132625408.db2.gz AQBPPAKCVJMIRH-UHFFFAOYSA-N -1 1 329.228 3.887 20 30 EHEDMM C=CC[S@@](=O)(=NC(=O)c1ccc([O-])c(CC)c1)c1ccccc1 ZINC001180150814 1133339123 /nfs/dbraw/zinc/33/91/23/1133339123.db2.gz RDDNMSVZBBABPN-QHCPKHFHSA-N -1 1 329.421 3.808 20 30 EHEDMM CC(C)C1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC1 ZINC000769807096 1133349412 /nfs/dbraw/zinc/34/94/12/1133349412.db2.gz GHNSUOFPIGDDSF-UHFFFAOYSA-N -1 1 344.463 3.901 20 30 EHEDMM CC(C)(C)n1ncc2c1[n-]c(NN=CC1CCC(C)(C)CC1)nc2=O ZINC000769810249 1133349778 /nfs/dbraw/zinc/34/97/78/1133349778.db2.gz NSHSWNNNVSYNDZ-UHFFFAOYSA-N -1 1 344.463 3.901 20 30 EHEDMM CCCCCCCC[C@H](CO)NC(=O)c1c([O-])cccc1Cl ZINC001180480799 1133374481 /nfs/dbraw/zinc/37/44/81/1133374481.db2.gz OQMPMRZSBWLILL-CYBMUJFWSA-N -1 1 327.852 3.887 20 30 EHEDMM Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1cccc(C(=O)[O-])c1 ZINC000774118608 1133614026 /nfs/dbraw/zinc/61/40/26/1133614026.db2.gz KLLPJTUVUHFKNE-KHPPLWFESA-N -1 1 332.359 3.979 20 30 EHEDMM O=C([O-])CCOc1cccc(CN=Nc2cccc(Cl)c2F)c1 ZINC000746680389 1133997199 /nfs/dbraw/zinc/99/71/99/1133997199.db2.gz VFYFAYQSXYKNHW-UHFFFAOYSA-N -1 1 336.750 3.779 20 30 EHEDMM O=C([O-])c1ccc(N=NC(C[C@H]2CCOC2)c2ccc(F)cc2)cc1 ZINC000792866384 1134802056 /nfs/dbraw/zinc/80/20/56/1134802056.db2.gz MJLISAYVMAJRJC-CYBMUJFWSA-N -1 1 342.370 3.767 20 30 EHEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 ZINC001191963242 1134951537 /nfs/dbraw/zinc/95/15/37/1134951537.db2.gz KYQWIYDQFYTSDA-UHFFFAOYSA-N -1 1 337.400 3.631 20 30 EHEDMM COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc([O-])c(Cl)c1)C2 ZINC000101372228 1135329522 /nfs/dbraw/zinc/32/95/22/1135329522.db2.gz HVSZSXIMNUHYBA-LFYBBSHMSA-N -1 1 330.767 3.885 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000809680293 1135871595 /nfs/dbraw/zinc/87/15/95/1135871595.db2.gz MNQDZHJYVPTJOU-KRWDZBQOSA-N -1 1 328.318 3.519 20 30 EHEDMM N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)cnc2F)c([O-])c1 ZINC001199726739 1135923385 /nfs/dbraw/zinc/92/33/85/1135923385.db2.gz KSMQKAQYHYCZQE-UHFFFAOYSA-N -1 1 333.322 3.717 20 30 EHEDMM N#Cc1cc([N-]C(=O)c2c(F)c(F)cc(F)c2F)c(F)cc1F ZINC001132470799 1136007983 /nfs/dbraw/zinc/00/79/83/1136007983.db2.gz WCGKZFAVNAJFQE-UHFFFAOYSA-N -1 1 330.187 3.645 20 30 EHEDMM C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000852688700 1136477863 /nfs/dbraw/zinc/47/78/63/1136477863.db2.gz YISIZMFOBIFFTA-BETUJISGSA-N -1 1 331.799 3.835 20 30 EHEDMM CC(=NNc1ccc(F)cc1F)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814686430 1136491398 /nfs/dbraw/zinc/49/13/98/1136491398.db2.gz FWMBCCYYOZPALI-NSHDSACASA-N -1 1 334.322 3.653 20 30 EHEDMM Cc1cc2ccc(Cl)cc2nc1N=NCc1c[nH]c(C(=O)[O-])c1 ZINC000814898275 1136521630 /nfs/dbraw/zinc/52/16/30/1136521630.db2.gz WSJNDKKLYBYZKX-UHFFFAOYSA-N -1 1 328.759 3.669 20 30 EHEDMM CC(C)[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000824983634 1137160945 /nfs/dbraw/zinc/16/09/45/1137160945.db2.gz LOTFLAQGKGDPIY-CYBMUJFWSA-N -1 1 345.187 3.595 20 30 EHEDMM O=C(c1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)cc1)N1CCCC1 ZINC000865216484 1137268825 /nfs/dbraw/zinc/26/88/25/1137268825.db2.gz CPLDTYWAHCEHQI-AQTBWJFISA-N -1 1 347.414 3.841 20 30 EHEDMM N#Cc1cccc(O[C@@H]2CCCN(Cc3c(F)cc([O-])cc3F)C2)c1 ZINC001144559133 1137309672 /nfs/dbraw/zinc/30/96/72/1137309672.db2.gz JIMFXJLSOBYUEQ-MRXNPFEDSA-N -1 1 344.361 3.585 20 30 EHEDMM CCOCCOCc1cccc(N[C@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866316309 1137345130 /nfs/dbraw/zinc/34/51/30/1137345130.db2.gz OKQDWHKZOHOKFG-OAHLLOKOSA-N -1 1 340.423 3.990 20 30 EHEDMM COCCOc1cc(C)ccc1N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866316937 1137345223 /nfs/dbraw/zinc/34/52/23/1137345223.db2.gz WUMDXMPKVQOMTJ-AWEZNQCLSA-N -1 1 326.396 3.771 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H]2CCCc3ccc(Cl)cc32)cc1[O-] ZINC001171271630 1137387311 /nfs/dbraw/zinc/38/73/11/1137387311.db2.gz QZUBFMMQUSBRNJ-INIZCTEOSA-N -1 1 326.783 3.725 20 30 EHEDMM N#Cc1cccc(-c2cc(C(=O)[N-]c3cc(F)cc(F)c3F)on2)c1 ZINC000348112742 1137441689 /nfs/dbraw/zinc/44/16/89/1137441689.db2.gz RFWWFQCMRSKIGX-UHFFFAOYSA-N -1 1 343.264 3.883 20 30 EHEDMM C[C@@H](Nc1cccc([C@H]2CCCC(=O)N2)c1)c1cccc(C#N)c1[O-] ZINC000886808198 1138146056 /nfs/dbraw/zinc/14/60/56/1138146056.db2.gz DZLBRESYEUFMFT-FZKQIMNGSA-N -1 1 335.407 3.778 20 30 EHEDMM C=CCN(CCc1ccco1)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000273831171 1141428928 /nfs/dbraw/zinc/42/89/28/1141428928.db2.gz HPDNUOKHZUOPGP-UHFFFAOYSA-N -1 1 349.814 3.908 20 30 EHEDMM C[C@H](CN(Cc1cn2ccccc2c1C#N)Cc1ccccc1)C(=O)[O-] ZINC000736581648 599713733 /nfs/dbraw/zinc/71/37/33/599713733.db2.gz BZJZQMNUKYWUPG-MRXNPFEDSA-N -1 1 347.418 3.534 20 30 EHEDMM Cc1ccc(-c2ncc(C=NNc3ccc(C(=O)[O-])cn3)s2)cc1 ZINC000763368939 604665777 /nfs/dbraw/zinc/66/57/77/604665777.db2.gz QRWDMIHNQNAAGY-UHFFFAOYSA-N -1 1 338.392 3.658 20 30 EHEDMM CC(C)c1csc(C(C#N)C(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000827139252 604886887 /nfs/dbraw/zinc/88/68/87/604886887.db2.gz IARLJPFNURATLC-NSHDSACASA-N -1 1 332.356 3.594 20 30 EHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc2ccccc21 ZINC000822929547 606388141 /nfs/dbraw/zinc/38/81/41/606388141.db2.gz VNUFXEWOIVHVQY-CSKARUKUSA-N -1 1 332.388 3.978 20 30 EHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cc2c(s1)CCCC2 ZINC000822922208 606977781 /nfs/dbraw/zinc/97/77/81/606977781.db2.gz DHSZXHWETOBOBX-ALCCZGGFSA-N -1 1 342.449 3.765 20 30 EHEDMM O=C(C=Cc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400617 608093958 /nfs/dbraw/zinc/09/39/58/608093958.db2.gz CJNUDKFDRFXZNX-RQOWECAXSA-N -1 1 334.763 3.617 20 30 EHEDMM O=C(C=Cc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400617 608093959 /nfs/dbraw/zinc/09/39/59/608093959.db2.gz CJNUDKFDRFXZNX-RQOWECAXSA-N -1 1 334.763 3.617 20 30 EHEDMM C=CC[C@H]1[N@@H+](CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CCCC1(C)C ZINC001588774376 984151347 /nfs/dbraw/zinc/15/13/47/984151347.db2.gz WUJSDRISTUUZGK-OAHLLOKOSA-N -1 1 332.444 3.579 20 30 EHEDMM C=CC[C@H]1N(CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CCCC1(C)C ZINC001588774376 984151350 /nfs/dbraw/zinc/15/13/50/984151350.db2.gz WUJSDRISTUUZGK-OAHLLOKOSA-N -1 1 332.444 3.579 20 30 EHEDMM O=C(/C=C\c1ccccc1OCc1cccnc1)c1cc(O)ccc1[O-] ZINC000254973894 1015291049 /nfs/dbraw/zinc/29/10/49/1015291049.db2.gz FBPZEKBTURUCHO-CLFYSBASSA-N -1 1 347.370 3.968 20 30 EHEDMM CC(C)(C)c1cnc(C(C#N)C(=O)c2cc(F)cc(C(=O)[O-])c2)s1 ZINC001590515504 990126956 /nfs/dbraw/zinc/12/69/56/990126956.db2.gz OTNCXPIAGIILFY-LBPRGKRZSA-N -1 1 346.383 3.768 20 30 EHEDMM C=CCCCN(CC)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000890810017 1016996206 /nfs/dbraw/zinc/99/62/06/1016996206.db2.gz JXDVAEOIOCWDRB-UHFFFAOYSA-N -1 1 327.380 3.893 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C\c2c(Cl)nc3sccn23)c1 ZINC000254930438 1018693372 /nfs/dbraw/zinc/69/33/72/1018693372.db2.gz VHTMKFRPUQFETK-HYXAFXHYSA-N -1 1 334.784 3.660 20 30 EHEDMM CCCN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCc2ccccc2C1 ZINC000614365516 1018871266 /nfs/dbraw/zinc/87/12/66/1018871266.db2.gz PWNADFACJXHMIY-LJQANCHMSA-N -1 1 334.419 3.674 20 30 EHEDMM CSCCc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000513384376 1019613068 /nfs/dbraw/zinc/61/30/68/1019613068.db2.gz OOIOWFNDDWRRNN-UHFFFAOYSA-N -1 1 346.477 3.573 20 30 EHEDMM N#Cc1cnn(-c2cccc(Cl)c2)c1Nc1ccc(F)c([O-])c1 ZINC001211214736 1019663773 /nfs/dbraw/zinc/66/37/73/1019663773.db2.gz FHGJMBFSUWFPBP-UHFFFAOYSA-N -1 1 328.734 3.986 20 30 EHEDMM N#CC(=C([O-])C=Cc1ccc2ccc(Cl)cc2n1)c1ccncn1 ZINC000760344025 1032882498 /nfs/dbraw/zinc/88/24/98/1032882498.db2.gz FLBKRDBFZZKJEH-NFAHFFEMSA-N -1 1 334.766 3.568 20 30 EHEDMM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)cc2s1 ZINC000427208572 1021216595 /nfs/dbraw/zinc/21/65/95/1021216595.db2.gz GNNICVDQQJEWTL-UHFFFAOYSA-N -1 1 343.433 3.586 20 30 EHEDMM CCSc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427217744 1021227798 /nfs/dbraw/zinc/22/77/98/1021227798.db2.gz RZULMODFMPNQIC-UHFFFAOYSA-N -1 1 336.413 3.610 20 30 EHEDMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1 ZINC000063147440 1033065613 /nfs/dbraw/zinc/06/56/13/1033065613.db2.gz LSQLZLYRQSPENT-UHFFFAOYSA-N -1 1 344.436 3.928 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2cc(C(C)(C)C)nn2C)n1 ZINC000080459465 1023263261 /nfs/dbraw/zinc/26/32/61/1023263261.db2.gz YFRATKXYBKUOAV-NSHDSACASA-N -1 1 330.457 3.788 20 30 EHEDMM C=C(C)C(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1C ZINC001142516001 1033141651 /nfs/dbraw/zinc/14/16/51/1033141651.db2.gz JTJOMJRXDILQCQ-UHFFFAOYSA-N -1 1 341.251 3.822 20 30 EHEDMM CC[C@@H]1C[C@H](C(=O)Nc2cc(-c3nnco3)ccc2C)CC([O-])=N1 ZINC000329666264 1024022743 /nfs/dbraw/zinc/02/27/43/1024022743.db2.gz KXCHNBCCNJVEQU-QWHCGFSZSA-N -1 1 328.372 3.778 20 30 EHEDMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427792554 1024786424 /nfs/dbraw/zinc/78/64/24/1024786424.db2.gz JXPKNBXJUHXMIP-UHFFFAOYSA-N -1 1 332.400 3.930 20 30 EHEDMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1Cl ZINC000435725965 1025108652 /nfs/dbraw/zinc/10/86/52/1025108652.db2.gz KGYJIBLLPZCYCM-UHFFFAOYSA-N -1 1 348.811 3.524 20 30 EHEDMM CN(Cc1c(Cl)cccc1Cl)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442861544 1025534525 /nfs/dbraw/zinc/53/45/25/1025534525.db2.gz NCLNYFMLHQTBPM-UHFFFAOYSA-N -1 1 335.190 3.843 20 30 EHEDMM N#Cc1ccc(C(=O)NCCCCCc2ccc(F)cc2)cc1[O-] ZINC000442972965 1025633841 /nfs/dbraw/zinc/63/38/41/1025633841.db2.gz MMGSYWUAHBBBTA-UHFFFAOYSA-N -1 1 326.371 3.546 20 30 EHEDMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000443402605 1025998898 /nfs/dbraw/zinc/99/88/98/1025998898.db2.gz HKYLDOIERLOBBR-UHFFFAOYSA-N -1 1 344.436 3.687 20 30 EHEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001211923202 1027248791 /nfs/dbraw/zinc/24/87/91/1027248791.db2.gz VWEZZCOQFAIRNM-AWEZNQCLSA-N -1 1 327.858 3.635 20 30 EHEDMM N#CC(=C([O-])c1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000046440592 1027446090 /nfs/dbraw/zinc/44/60/90/1027446090.db2.gz HJPRFLAXHBIXDR-LLVKDONJSA-N -1 1 340.726 3.615 20 30 EHEDMM C=CC[C@H](C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1)c1ccccc1 ZINC000188735061 1027520313 /nfs/dbraw/zinc/52/03/13/1027520313.db2.gz PBPWYBCHLRLLMR-AWEZNQCLSA-N -1 1 349.390 3.648 20 30 EHEDMM C=C(C)[C@@H](CC(=O)Nc1cc(C)cc(Br)c1[O-])OCC ZINC000482721296 1030669909 /nfs/dbraw/zinc/66/99/09/1030669909.db2.gz HFYSFGZPQZBHRI-CYBMUJFWSA-N -1 1 342.233 3.773 20 30 EHEDMM CCOc1cc(C(=O)Nc2ccc(CC#N)cc2)cc(Cl)c1[O-] ZINC000171321510 1030752210 /nfs/dbraw/zinc/75/22/10/1030752210.db2.gz BPDROUKLCWSUNF-UHFFFAOYSA-N -1 1 330.771 3.763 20 30 EHEDMM CC(C)(C#N)c1ccc(CN[C@H](CC(=O)[O-])c2ccccc2F)cc1 ZINC000904045133 1031663515 /nfs/dbraw/zinc/66/35/15/1031663515.db2.gz HLYANFIMOUZVFK-GOSISDBHSA-N -1 1 340.398 3.932 20 30 EHEDMM CCCc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)s1 ZINC000173968835 1033636773 /nfs/dbraw/zinc/63/67/73/1033636773.db2.gz VKMDYMUSIIPZQO-CQSZACIVSA-N -1 1 341.436 3.619 20 30 EHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1Cl ZINC000603969796 1034081461 /nfs/dbraw/zinc/08/14/61/1034081461.db2.gz QBXWJYKXHQSAAZ-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1Cl ZINC000603974325 1034110246 /nfs/dbraw/zinc/11/02/46/1034110246.db2.gz MYEUOEKPDRYGEM-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM N#CC(=C([O-])c1c[nH]c(C(F)(F)F)c1)c1nc(C2CC2)cs1 ZINC000647380001 1034123193 /nfs/dbraw/zinc/12/31/93/1034123193.db2.gz BUMXYQVYPSNQQH-VIFPVBQESA-N -1 1 325.315 3.857 20 30 EHEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CCc2ccc(Cl)cc21 ZINC000593811929 1034125844 /nfs/dbraw/zinc/12/58/44/1034125844.db2.gz HRFVYHHZMGZIQI-GFCCVEGCSA-N -1 1 340.810 3.719 20 30 EHEDMM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188432021 1034462051 /nfs/dbraw/zinc/46/20/51/1034462051.db2.gz SKXJSEWZGSSXDO-CYBMUJFWSA-N -1 1 348.406 3.685 20 30 EHEDMM COc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)c(Cl)c1OC ZINC000171670708 1034552461 /nfs/dbraw/zinc/55/24/61/1034552461.db2.gz AJIWWLBUJQETGR-VGOFMYFVSA-N -1 1 332.739 3.679 20 30 EHEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1nc2ccc(Cl)cc2n1C ZINC000760217777 1035693976 /nfs/dbraw/zinc/69/39/76/1035693976.db2.gz JCTGSTXANVMCRI-UHFFFAOYSA-N -1 1 342.786 3.761 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)c2cccnc2c1C ZINC000174023006 1035838833 /nfs/dbraw/zinc/83/88/33/1035838833.db2.gz HPEWLQGHJYCVID-UHFFFAOYSA-N -1 1 337.404 3.524 20 30 EHEDMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475805629 1036207677 /nfs/dbraw/zinc/20/76/77/1036207677.db2.gz PKNBJNWKUWUQLN-UHFFFAOYSA-N -1 1 336.363 3.665 20 30 EHEDMM CCc1oc2ccccc2c1CN(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589160161 1036287008 /nfs/dbraw/zinc/28/70/08/1036287008.db2.gz YDBIKWFNUATRMM-UHFFFAOYSA-N -1 1 334.375 3.845 20 30 EHEDMM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000475827687 1036735350 /nfs/dbraw/zinc/73/53/50/1036735350.db2.gz JZWQICKTUZHPLT-UHFFFAOYSA-N -1 1 349.415 3.730 20 30 EHEDMM N#Cc1ccsc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000103420750 1036979197 /nfs/dbraw/zinc/97/91/97/1036979197.db2.gz CNVYOHMOOSKMIH-UHFFFAOYSA-N -1 1 332.454 3.846 20 30 EHEDMM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000591835247 1037645006 /nfs/dbraw/zinc/64/50/06/1037645006.db2.gz FNYFNNRRGOORAF-IBGZPJMESA-N -1 1 340.398 3.742 20 30 EHEDMM N#Cc1ccc(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)cc1[O-] ZINC000490890206 1040803985 /nfs/dbraw/zinc/80/39/85/1040803985.db2.gz RRXCXTHVWIEXIJ-OAHLLOKOSA-N -1 1 348.324 3.730 20 30 EHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1 ZINC000619461171 1042971054 /nfs/dbraw/zinc/97/10/54/1042971054.db2.gz MIAQWLHPDYHTKR-UHFFFAOYSA-N -1 1 341.219 3.860 20 30 EHEDMM Cc1ccc2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)ccc2c1 ZINC000344627075 1044211980 /nfs/dbraw/zinc/21/19/80/1044211980.db2.gz CGWGJKZVLOUZNX-HNNXBMFYSA-N -1 1 340.386 3.920 20 30 EHEDMM O=C(/C=C\c1ccc(Br)c(F)c1)c1cc(O)ccc1[O-] ZINC000763099912 1121681733 /nfs/dbraw/zinc/68/17/33/1121681733.db2.gz GUNYGGYJHNEATR-DJWKRKHSSA-N -1 1 337.144 3.896 20 30 EHEDMM O=[N+]([O-])c1ccc(NN=Cc2cccc(Br)c2[O-])cc1 ZINC000915932807 1121993638 /nfs/dbraw/zinc/99/36/38/1121993638.db2.gz CKEYRONXCHQBOX-UHFFFAOYSA-N -1 1 336.145 3.509 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1c(Cl)nc3sccn13)O2 ZINC000915989001 1122013511 /nfs/dbraw/zinc/01/35/11/1122013511.db2.gz SEQROVCCISLTEP-IZZDOVSWSA-N -1 1 332.768 3.679 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1csc(-c3ccccn3)n1)O2 ZINC000915988753 1122013539 /nfs/dbraw/zinc/01/35/39/1122013539.db2.gz FUPPGLQHYUWIQJ-CHHVJCJISA-N -1 1 336.372 3.835 20 30 EHEDMM Cn1cccc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000068348887 1123920734 /nfs/dbraw/zinc/92/07/34/1123920734.db2.gz VKRRIPHGSCGHDL-JTQLQIEISA-N -1 1 343.358 3.917 20 30 EHEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000180848687 1124084072 /nfs/dbraw/zinc/08/40/72/1124084072.db2.gz VBXWTJJKGOLHFQ-VIFPVBQESA-N -1 1 338.292 3.534 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000619782485 1125403945 /nfs/dbraw/zinc/40/39/45/1125403945.db2.gz KNLXHTNAPXPSCS-GGPHIMKMSA-N -1 1 332.403 3.815 20 30 EHEDMM Cc1nc(C#N)c(N=NC(C)c2cc(Cl)c(Cl)cc2[O-])o1 ZINC000766011320 1129742175 /nfs/dbraw/zinc/74/21/75/1129742175.db2.gz FGBJLPGWDUEFIB-UHFFFAOYSA-N -1 1 325.155 3.703 20 30 EHEDMM C=CC1CC[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000732181392 1130894273 /nfs/dbraw/zinc/89/42/73/1130894273.db2.gz UGJOOURTEQIEGI-UHFFFAOYSA-N -1 1 337.419 3.727 20 30 EHEDMM COc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)c(OC(F)F)c1 ZINC000734096266 1131192541 /nfs/dbraw/zinc/19/25/41/1131192541.db2.gz YCLJXTUYFVYCCS-GIDUJCDVSA-N -1 1 334.274 3.618 20 30 EHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccc(Cl)cc3)nc1-2 ZINC000741752335 1131643131 /nfs/dbraw/zinc/64/31/31/1131643131.db2.gz WXQOSJIZIMHEDU-GBXSZLQWSA-N -1 1 336.782 3.809 20 30 EHEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1 ZINC000742028880 1131684924 /nfs/dbraw/zinc/68/49/24/1131684924.db2.gz LCZBFAPYMNUJJN-UHFFFAOYSA-N -1 1 330.409 3.513 20 30 EHEDMM C#CCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000744015984 1132007495 /nfs/dbraw/zinc/00/74/95/1132007495.db2.gz GOWKXWUTDKSDKF-OAHLLOKOSA-N -1 1 332.384 3.798 20 30 EHEDMM Cc1ccc2nc(CN=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[nH]c2c1 ZINC000745977423 1132342347 /nfs/dbraw/zinc/34/23/47/1132342347.db2.gz VKRHSGSNRLLKQC-WSVATBPTSA-N -1 1 344.758 3.758 20 30 EHEDMM N#C[C@H](Cc1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001177917129 1133113084 /nfs/dbraw/zinc/11/30/84/1133113084.db2.gz PBZNDNXKCUNAAE-VIFPVBQESA-N -1 1 340.326 3.793 20 30 EHEDMM CC(N=Nc1nnc(-c2ccccc2)n1C)c1ccc([O-])c(Cl)c1 ZINC000768772795 1133181254 /nfs/dbraw/zinc/18/12/54/1133181254.db2.gz JAFDLPXBVZKHKF-UHFFFAOYSA-N -1 1 341.802 3.677 20 30 EHEDMM COc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000768883953 1133196405 /nfs/dbraw/zinc/19/64/05/1133196405.db2.gz OQYMRLVXAKZCAI-BQYQJAHWSA-N -1 1 348.811 3.633 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cn(C)nc1-c1ccccc1)O2 ZINC000771518329 1133568704 /nfs/dbraw/zinc/56/87/04/1133568704.db2.gz QEQXJPBWVWICSO-MFOYZWKCSA-N -1 1 332.359 3.717 20 30 EHEDMM COc1c(Br)cccc1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000774134880 1133620811 /nfs/dbraw/zinc/62/08/11/1133620811.db2.gz GWCJJRIWELGYRI-ALCCZGGFSA-N -1 1 349.180 3.765 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)ccc1Cl ZINC001185485702 1134097179 /nfs/dbraw/zinc/09/71/79/1134097179.db2.gz YKOMPKVITNVVDY-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2F)c([O-])c1 ZINC001186480459 1134220218 /nfs/dbraw/zinc/22/02/18/1134220218.db2.gz QVYGQAMPFDSJCC-UHFFFAOYSA-N -1 1 342.223 3.813 20 30 EHEDMM N#Cc1ccc(F)c([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC001186495980 1134222770 /nfs/dbraw/zinc/22/27/70/1134222770.db2.gz YNUUXNFMPYQLDS-UHFFFAOYSA-N -1 1 332.381 3.713 20 30 EHEDMM N#Cc1c([O-])csc1NC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC001186782303 1134257157 /nfs/dbraw/zinc/25/71/57/1134257157.db2.gz XJIZSMIYYYZTKR-UHFFFAOYSA-N -1 1 341.314 3.666 20 30 EHEDMM Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190500984 1134706575 /nfs/dbraw/zinc/70/65/75/1134706575.db2.gz SYSHWYOHMXCHSO-UHFFFAOYSA-N -1 1 326.421 3.853 20 30 EHEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1csc(N2CCCCC2)n1 ZINC001190669217 1134728832 /nfs/dbraw/zinc/72/88/32/1134728832.db2.gz UVDSUZQSTNPKJP-UHFFFAOYSA-N -1 1 348.378 3.536 20 30 EHEDMM CCOc1ccc(C(=O)[N-]c2c(C#N)ccc(F)c2F)c(F)c1F ZINC001190720657 1134742632 /nfs/dbraw/zinc/74/26/32/1134742632.db2.gz ZBOHHABEHSURPX-UHFFFAOYSA-N -1 1 338.260 3.766 20 30 EHEDMM Cc1ccc(-c2nc(/C=C\C(=O)c3ccc(C(=O)[O-])cc3O)co2)cc1 ZINC000806559977 1135459426 /nfs/dbraw/zinc/45/94/26/1135459426.db2.gz HIXKFCLYKIQUKD-CLFYSBASSA-N -1 1 349.342 3.950 20 30 EHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3ccc[nH]c3=S)c2)c1 ZINC001196309644 1135541014 /nfs/dbraw/zinc/54/10/14/1135541014.db2.gz ZVDQSNKYZMHXGM-UHFFFAOYSA-N -1 1 347.399 3.867 20 30 EHEDMM COc1ccnc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)c1 ZINC001196297145 1135544552 /nfs/dbraw/zinc/54/45/52/1135544552.db2.gz JDMFUQZYQYFUHT-UHFFFAOYSA-N -1 1 345.358 3.587 20 30 EHEDMM COc1ccc2c(c1)C(=O)/C(=C/c1ccc([O-])c(Br)c1)C2 ZINC000747440633 1135599118 /nfs/dbraw/zinc/59/91/18/1135599118.db2.gz MEUQBDWUSIVJGF-WUXMJOGZSA-N -1 1 345.192 3.986 20 30 EHEDMM N#Cc1cccc(NC(=S)Nc2cc(Br)ccc2[O-])c1 ZINC001197708832 1135728333 /nfs/dbraw/zinc/72/83/33/1135728333.db2.gz JKKHWYDCAIQWBZ-UHFFFAOYSA-N -1 1 348.225 3.835 20 30 EHEDMM C#Cc1ccccc1CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000810942510 1136027656 /nfs/dbraw/zinc/02/76/56/1136027656.db2.gz MVERKQKXSWLVCA-UHFFFAOYSA-N -1 1 344.208 3.626 20 30 EHEDMM C[C@H](COc1ccccc1)NN=Cc1ccc([O-])c(Br)c1 ZINC000811664194 1136118998 /nfs/dbraw/zinc/11/89/98/1136118998.db2.gz BNYHIHHOUBNDFR-GFCCVEGCSA-N -1 1 349.228 3.546 20 30 EHEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1csc(-c2ccccc2F)n1 ZINC000812223507 1136185348 /nfs/dbraw/zinc/18/53/48/1136185348.db2.gz YPEUSNHKZQQAEG-UHFFFAOYSA-N -1 1 343.387 3.589 20 30 EHEDMM C=C(C)COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000011337519 1136826883 /nfs/dbraw/zinc/82/68/83/1136826883.db2.gz OVQFKWXDGZXGNQ-UHFFFAOYSA-N -1 1 345.420 3.529 20 30 EHEDMM N#C[C@@H](NC(=O)c1cccc([O-])c1F)c1cccc(C(F)(F)F)c1 ZINC001136673379 1137087615 /nfs/dbraw/zinc/08/76/15/1137087615.db2.gz SDYDQEARGUGINB-GFCCVEGCSA-N -1 1 338.260 3.545 20 30 EHEDMM COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)c(C)c1OC ZINC000794857842 1137304958 /nfs/dbraw/zinc/30/49/58/1137304958.db2.gz YDTQBVJBFQVYRR-UHFFFAOYSA-N -1 1 328.368 3.547 20 30 EHEDMM [O-]c1cc(F)c(CN2CCC(C#Cc3ccccc3)CC2)c(F)c1 ZINC001144560947 1137309861 /nfs/dbraw/zinc/30/98/61/1137309861.db2.gz CTPBSVAEOLVHHS-UHFFFAOYSA-N -1 1 327.374 3.934 20 30 EHEDMM COCCOc1ccc(N[C@@H](C)c2cccc(C#N)c2[O-])c(C)c1 ZINC000866322466 1137345481 /nfs/dbraw/zinc/34/54/81/1137345481.db2.gz VWROYIPFIXFEQY-AWEZNQCLSA-N -1 1 326.396 3.771 20 30 EHEDMM C[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(C#N)c1[O-] ZINC000866321803 1137345582 /nfs/dbraw/zinc/34/55/82/1137345582.db2.gz QPJBRJXJXHLZOI-KDOFPFPSSA-N -1 1 338.407 3.995 20 30 EHEDMM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000331886960 1137924508 /nfs/dbraw/zinc/92/45/08/1137924508.db2.gz IIWZFRFOJCAAMG-OALUTQOASA-N -1 1 334.419 3.981 20 30 EHEDMM N#Cc1ccc(C2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000887706379 1138699307 /nfs/dbraw/zinc/69/93/07/1138699307.db2.gz YPTAQZZTFWGMBZ-UHFFFAOYSA-N -1 1 340.810 3.937 20 30 EHEDMM CCCCCCC[C@H](C)CNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000176087038 1139538271 /nfs/dbraw/zinc/53/82/71/1139538271.db2.gz JTPIBNALCCJNBZ-LBPRGKRZSA-N -1 1 339.505 3.527 20 30 EHEDMM Cc1cc(Br)c([O-])c(C=NOCCC(F)(F)F)c1 ZINC000777461285 1140401982 /nfs/dbraw/zinc/40/19/82/1140401982.db2.gz WYCSYONUYZONSJ-UHFFFAOYSA-N -1 1 326.112 3.766 20 30 EHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCC2CCCCCC2)o1 ZINC000735656053 599150189 /nfs/dbraw/zinc/15/01/89/599150189.db2.gz HFIZAYPIVDKECL-UHFFFAOYSA-N -1 1 331.424 3.520 20 30 EHEDMM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ccc(Cl)cc1Cl ZINC000833405592 605037686 /nfs/dbraw/zinc/03/76/86/605037686.db2.gz FVCVYMATUIKEJM-VIFPVBQESA-N -1 1 326.183 3.887 20 30 EHEDMM C=C[C@H](CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC000833371611 605059941 /nfs/dbraw/zinc/05/99/41/605059941.db2.gz RPKZZLWHVLUTSZ-GFCCVEGCSA-N -1 1 335.363 3.560 20 30 EHEDMM CCOc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833660393 605141875 /nfs/dbraw/zinc/14/18/75/605141875.db2.gz KOZQFVMIHWZURO-KRWDZBQOSA-N -1 1 344.798 3.526 20 30 EHEDMM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1nc2ccccc2n1C ZINC000833386471 605158709 /nfs/dbraw/zinc/15/87/09/605158709.db2.gz IEBSPOOHANKJSJ-UHFFFAOYSA-N -1 1 342.786 3.761 20 30 EHEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CCc2ccc(Cl)cc21 ZINC000826475402 608048242 /nfs/dbraw/zinc/04/82/42/608048242.db2.gz FJWMITJGTJSJHJ-YFHOEESVSA-N -1 1 342.811 3.794 20 30 EHEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc2nc(C)sc2c1 ZINC000754960781 978696693 /nfs/dbraw/zinc/69/66/93/978696693.db2.gz HLLAXNJCMYCSRH-UHFFFAOYSA-N -1 1 341.392 3.758 20 30 EHEDMM CCOc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)cc(Cl)c1[O-] ZINC000186850155 1014562639 /nfs/dbraw/zinc/56/26/39/1014562639.db2.gz YHZBKLZCLNOAAP-AWEZNQCLSA-N -1 1 336.819 3.647 20 30 EHEDMM C#CCC1(NCc2csc(-c3cccc(C(=O)[O-])c3)n2)CCC1 ZINC001588427535 983456845 /nfs/dbraw/zinc/45/68/45/983456845.db2.gz BFBXEUNVDDZACJ-UHFFFAOYSA-N -1 1 326.421 3.544 20 30 EHEDMM COC(=O)c1coc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000184790607 1032335302 /nfs/dbraw/zinc/33/53/02/1032335302.db2.gz DZKFGWSVHPQAAH-NSHDSACASA-N -1 1 344.392 3.713 20 30 EHEDMM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129765519 1032591946 /nfs/dbraw/zinc/59/19/46/1032591946.db2.gz RQVUGHSBZCTXGA-SNVBAGLBSA-N -1 1 337.162 3.856 20 30 EHEDMM COC(=O)c1oc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)cc1C ZINC000602298988 1032776529 /nfs/dbraw/zinc/77/65/29/1032776529.db2.gz ZLDSLVQDBOFKOZ-UHFFFAOYSA-N -1 1 346.408 3.858 20 30 EHEDMM CSc1nc(C2CC2)cc(C(=O)Nc2cc(F)ccc2[O-])c1C#N ZINC000436797053 1021241325 /nfs/dbraw/zinc/24/13/25/1021241325.db2.gz LYHTUKIJKQMZND-UHFFFAOYSA-N -1 1 343.383 3.650 20 30 EHEDMM COc1cc(C(=O)NCC[C@@H]2CCO[C@H](C)C2)cc(Cl)c1[O-] ZINC000331283315 1022773986 /nfs/dbraw/zinc/77/39/86/1022773986.db2.gz RVDFUGVHKHGCRA-GHMZBOCLSA-N -1 1 327.808 3.564 20 30 EHEDMM C=C(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)c(F)c1 ZINC000189221669 1022974950 /nfs/dbraw/zinc/97/49/50/1022974950.db2.gz OKMHZQILNCDPHM-QGZVFWFLSA-N -1 1 328.318 3.589 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000438770467 1022985388 /nfs/dbraw/zinc/98/53/88/1022985388.db2.gz FFQULUSBUJRCQO-UHFFFAOYSA-N -1 1 335.400 3.890 20 30 EHEDMM C=CCCS(=O)(=O)[N-]c1ccccc1OCCc1ccccc1 ZINC000431214256 1023532061 /nfs/dbraw/zinc/53/20/61/1023532061.db2.gz RXEVFOYZYDCRRX-UHFFFAOYSA-N -1 1 331.437 3.626 20 30 EHEDMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc(C#N)cc1 ZINC000127013249 1025354238 /nfs/dbraw/zinc/35/42/38/1025354238.db2.gz MJHIKGOEMHNLND-MRVPVSSYSA-N -1 1 325.315 3.926 20 30 EHEDMM C[C@H]1C[C@]1(NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000505764823 1025431129 /nfs/dbraw/zinc/43/11/29/1025431129.db2.gz FCYGKGXYHKXTTN-BBATYDOGSA-N -1 1 326.783 3.582 20 30 EHEDMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000515696812 1025502526 /nfs/dbraw/zinc/50/25/26/1025502526.db2.gz BCYAVXLMZFVMLZ-UHFFFAOYSA-N -1 1 334.828 3.965 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1[O-] ZINC000442949126 1025616308 /nfs/dbraw/zinc/61/63/08/1025616308.db2.gz ZAOOTIIDNKEFFO-UKRRQHHQSA-N -1 1 346.308 3.569 20 30 EHEDMM N#CC(=C([O-])c1cc2nc[nH]c2cc1F)c1nc2ccccc2s1 ZINC000436695784 1026054549 /nfs/dbraw/zinc/05/45/49/1026054549.db2.gz FXMMPDRVNNYDFR-SNVBAGLBSA-N -1 1 336.351 3.802 20 30 EHEDMM COc1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)c(OC(F)F)c1 ZINC000588535155 1026788118 /nfs/dbraw/zinc/78/81/18/1026788118.db2.gz NCNJGRUJOWMVSD-WUXMJOGZSA-N -1 1 332.302 3.825 20 30 EHEDMM COc1ccc(OC(F)F)c(/C=C2/Cc3cc([O-])ccc3C2=O)c1 ZINC000588535173 1026788440 /nfs/dbraw/zinc/78/84/40/1026788440.db2.gz PEGGPMJHQMDPIV-GHXNOFRVSA-N -1 1 332.302 3.825 20 30 EHEDMM C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445457886 1028827138 /nfs/dbraw/zinc/82/71/38/1028827138.db2.gz UQKKCBCGFPYPRZ-JTQLQIEISA-N -1 1 325.299 3.593 20 30 EHEDMM N#CC(=C([O-])c1cc(F)cc(Cl)c1)c1cnc2ccccc2n1 ZINC000483191524 1031034528 /nfs/dbraw/zinc/03/45/28/1031034528.db2.gz BHYNPELIIIKKCH-CYBMUJFWSA-N -1 1 325.730 3.912 20 30 EHEDMM Cc1cc(C(F)(F)C(=O)[N-][C@@](C)(C#N)C(C)(C)C)cnc1Cl ZINC000904179464 1031801451 /nfs/dbraw/zinc/80/14/51/1031801451.db2.gz IUIWMMGGNZGTFX-AWEZNQCLSA-N -1 1 329.778 3.580 20 30 EHEDMM N#CCc1ccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000544076973 1033644191 /nfs/dbraw/zinc/64/41/91/1033644191.db2.gz WIUUFXGOSMJRNQ-UHFFFAOYSA-N -1 1 325.315 3.559 20 30 EHEDMM O=C(/C=C/c1cc(F)ccc1Br)c1cc(O)ccc1[O-] ZINC000761205604 1034435457 /nfs/dbraw/zinc/43/54/57/1034435457.db2.gz PBBRFMKUHGAZKJ-ORCRQEGFSA-N -1 1 337.144 3.896 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000062159931 1034724805 /nfs/dbraw/zinc/72/48/05/1034724805.db2.gz DYHBZCXBQFMEFF-UHFFFAOYSA-N -1 1 342.420 3.680 20 30 EHEDMM COCc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1C#N ZINC000530145411 1035006519 /nfs/dbraw/zinc/00/65/19/1035006519.db2.gz SFRYOSVXGJEMPB-UHFFFAOYSA-N -1 1 344.436 3.629 20 30 EHEDMM Cc1c(=O)[n-]c(SCc2ccnc(C#N)c2)nc1-c1ccccc1 ZINC000613453036 1035924945 /nfs/dbraw/zinc/92/49/45/1035924945.db2.gz OAYIDKCHQPBKMS-UHFFFAOYSA-N -1 1 334.404 3.717 20 30 EHEDMM Cc1c(Br)cccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589174982 1036272954 /nfs/dbraw/zinc/27/29/54/1036272954.db2.gz IPNKWALOVHCEEF-UHFFFAOYSA-N -1 1 331.169 3.587 20 30 EHEDMM Cc1c2nc(NC(=O)c3cc([O-])cc(C#N)c3)sc2ccc1F ZINC000589189459 1036299721 /nfs/dbraw/zinc/29/97/21/1036299721.db2.gz YWNRGHXHBJUDQA-UHFFFAOYSA-N -1 1 327.340 3.573 20 30 EHEDMM Cc1cc(C)cc(C2=CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000589196771 1036304504 /nfs/dbraw/zinc/30/45/04/1036304504.db2.gz GKYLDMMRCRJFBL-UHFFFAOYSA-N -1 1 332.403 3.810 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2cc(Cl)c3c(c2)OCCCO3)n1 ZINC000041518839 1038973872 /nfs/dbraw/zinc/97/38/72/1038973872.db2.gz XROFLKHBHXISCP-NSHDSACASA-N -1 1 348.811 3.756 20 30 EHEDMM C=CCCC(C)(C)[N-]S(=O)(=O)c1sccc1Br ZINC000660143793 1039354222 /nfs/dbraw/zinc/35/42/22/1039354222.db2.gz ZAYJUQLWJLJDFL-UHFFFAOYSA-N -1 1 338.292 3.534 20 30 EHEDMM COc1cc(/C=C2/Cc3cc([O-])ccc3C2=O)ccc1OC(F)F ZINC000187221277 1039581354 /nfs/dbraw/zinc/58/13/54/1039581354.db2.gz BNLURHCXTFBSOL-SDQBBNPISA-N -1 1 332.302 3.825 20 30 EHEDMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1C ZINC000162466360 1040199548 /nfs/dbraw/zinc/19/95/48/1040199548.db2.gz YNRGFGQPRVXHLQ-LLVKDONJSA-N -1 1 348.761 3.904 20 30 EHEDMM COc1cc(C(=O)/C=C/c2ccc3c(c2)C[C@H](C)O3)cc(OC)c1[O-] ZINC000899383940 1040413952 /nfs/dbraw/zinc/41/39/52/1040413952.db2.gz DDXUNJNDZYQXEF-FUEXJSSKSA-N -1 1 340.375 3.629 20 30 EHEDMM C=CCNC(=O)Nc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000645155878 1040845323 /nfs/dbraw/zinc/84/53/23/1040845323.db2.gz XUCCBQRGYBVHDO-UHFFFAOYSA-N -1 1 331.803 3.965 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000614300813 1040969513 /nfs/dbraw/zinc/96/95/13/1040969513.db2.gz UWBSOLADZVVQBZ-CQSZACIVSA-N -1 1 338.432 3.518 20 30 EHEDMM CCOc1nc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)co1 ZINC000613946261 1043033496 /nfs/dbraw/zinc/03/34/96/1043033496.db2.gz CIUHQULPHDLXHP-LLVKDONJSA-N -1 1 331.397 3.577 20 30 EHEDMM CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000084461137 1128259821 /nfs/dbraw/zinc/25/98/21/1128259821.db2.gz CEZAPXJWZDVPMJ-UHFFFAOYSA-N -1 1 344.436 3.674 20 30 EHEDMM CN(C)c1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000670138949 1120979809 /nfs/dbraw/zinc/97/98/09/1120979809.db2.gz QMAPQCQLUZZGBC-CQSZACIVSA-N -1 1 327.453 3.997 20 30 EHEDMM N#Cc1ccccc1/C=C\C(=O)Nc1ccc(Br)cc1[O-] ZINC000915198921 1121245233 /nfs/dbraw/zinc/24/52/33/1121245233.db2.gz WMAMHGBISUDGCS-YVMONPNESA-N -1 1 343.180 3.678 20 30 EHEDMM COc1cccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)c1OC(F)F ZINC000915988819 1122013433 /nfs/dbraw/zinc/01/34/33/1122013433.db2.gz IUGZBHAOMCRDBH-VGOFMYFVSA-N -1 1 348.301 3.927 20 30 EHEDMM COc1ccc(Br)c(/C=C/C(=O)c2cc(O)ccc2[O-])c1 ZINC000139242215 1122249729 /nfs/dbraw/zinc/24/97/29/1122249729.db2.gz MKCFYIUDMWHBAI-QHHAFSJGSA-N -1 1 349.180 3.765 20 30 EHEDMM CCC(CC)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000916847099 1122367716 /nfs/dbraw/zinc/36/77/16/1122367716.db2.gz LMANBWXTWBCFDG-LBPRGKRZSA-N -1 1 343.452 3.888 20 30 EHEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000077687788 1129056643 /nfs/dbraw/zinc/05/66/43/1129056643.db2.gz RGZBMHPMMIDFHE-UHFFFAOYSA-N -1 1 338.841 3.734 20 30 EHEDMM COCCOc1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1 ZINC000921268534 1123503444 /nfs/dbraw/zinc/50/34/44/1123503444.db2.gz BTWPVSIBNCAILH-KRXBUXKQSA-N -1 1 332.783 3.967 20 30 EHEDMM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000616035250 1123935181 /nfs/dbraw/zinc/93/51/81/1123935181.db2.gz WPZZXAXSYMHUQL-LLVKDONJSA-N -1 1 348.324 3.644 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3oc(=O)[nH]c3c2)n1 ZINC000347719518 1129521447 /nfs/dbraw/zinc/52/14/47/1129521447.db2.gz LVXJZVSLAKYERK-JTQLQIEISA-N -1 1 327.365 3.603 20 30 EHEDMM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)c1OC ZINC000347749259 1129682357 /nfs/dbraw/zinc/68/23/57/1129682357.db2.gz WARVIDIMSRTJAU-CYBMUJFWSA-N -1 1 336.347 3.644 20 30 EHEDMM CC(=O)c1csc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000741110570 1131576525 /nfs/dbraw/zinc/57/65/25/1131576525.db2.gz IKBHPADGJRKVTB-CYBMUJFWSA-N -1 1 346.795 3.565 20 30 EHEDMM CC(=NNc1cccc(C#N)c1)c1cc(Br)ccc1[O-] ZINC000767335480 1132982489 /nfs/dbraw/zinc/98/24/89/1132982489.db2.gz FYRBGLDIXIEPPZ-UHFFFAOYSA-N -1 1 330.185 3.862 20 30 EHEDMM N#Cc1ccc(NC(=O)CCc2ccccc2Br)c([O-])c1 ZINC001179853143 1133291221 /nfs/dbraw/zinc/29/12/21/1133291221.db2.gz QHOHCKZLCXEJOV-UHFFFAOYSA-N -1 1 345.196 3.598 20 30 EHEDMM N#Cc1ccc(NC(=O)CSc2ccc3ccccc3n2)c([O-])c1 ZINC001180036967 1133320157 /nfs/dbraw/zinc/32/01/57/1133320157.db2.gz ZXRDBRXFKFNYQQ-UHFFFAOYSA-N -1 1 335.388 3.543 20 30 EHEDMM Cc1c(CC(=O)N([O-])C(=N)c2ccccc2N)sc2ccccc12 ZINC001183242983 1133784835 /nfs/dbraw/zinc/78/48/35/1133784835.db2.gz HDWKIDIGUSQIMJ-UHFFFAOYSA-N -1 1 339.420 3.578 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2O ZINC001188018100 1134417627 /nfs/dbraw/zinc/41/76/27/1134417627.db2.gz TYODJPBWJWCAQF-INIZCTEOSA-N -1 1 341.473 3.605 20 30 EHEDMM CC(C)(C)c1cnc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)s1 ZINC000790599658 1134441014 /nfs/dbraw/zinc/44/10/14/1134441014.db2.gz AMPNNANJKICWKH-VOTSOKGWSA-N -1 1 331.393 3.741 20 30 EHEDMM O=C(CNc1cc(/C=N/[O-])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC001170186728 1134702100 /nfs/dbraw/zinc/70/21/00/1134702100.db2.gz ZYWHIOOOPPPCRZ-LSHDLFTRSA-N -1 1 336.313 3.737 20 30 EHEDMM COc1cc(C(=O)Nc2ccc(C(C)(C)C#N)nc2)cc(Cl)c1[O-] ZINC001191128839 1134798235 /nfs/dbraw/zinc/79/82/35/1134798235.db2.gz FEBJNXJKQWNRGL-UHFFFAOYSA-N -1 1 345.786 3.503 20 30 EHEDMM C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000804452406 1135071158 /nfs/dbraw/zinc/07/11/58/1135071158.db2.gz HEECAQQSSWPLCS-HNNXBMFYSA-N -1 1 347.336 3.775 20 30 EHEDMM CC(C)C[C@H](C#N)NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196330505 1135546860 /nfs/dbraw/zinc/54/68/60/1135546860.db2.gz SAJAQAZHHJSPGP-GOSISDBHSA-N -1 1 333.391 3.599 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(C)ccnc3c2)cc1C#N ZINC001201320219 1136007193 /nfs/dbraw/zinc/00/71/93/1136007193.db2.gz RUYZYGWKMIQQJY-UHFFFAOYSA-N -1 1 337.404 3.524 20 30 EHEDMM C#CCO[N-]C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000812785362 1136247285 /nfs/dbraw/zinc/24/72/85/1136247285.db2.gz MKTCCFAGQDIVMV-UHFFFAOYSA-N -1 1 331.456 3.601 20 30 EHEDMM C[C@H]1C(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C[C@@H]1C ZINC000814830169 1136512607 /nfs/dbraw/zinc/51/26/07/1136512607.db2.gz ZYKCBIBLODYWJN-UONOGXRCSA-N -1 1 343.452 3.931 20 30 EHEDMM N#C[C@H](NC(=O)c1cccc([O-])c1F)c1cccc(C(F)(F)F)c1 ZINC001136673380 1137087679 /nfs/dbraw/zinc/08/76/79/1137087679.db2.gz SDYDQEARGUGINB-LBPRGKRZSA-N -1 1 338.260 3.545 20 30 EHEDMM N#CC1(c2ccccc2)CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144646775 1137322279 /nfs/dbraw/zinc/32/22/79/1137322279.db2.gz JVOUYMGZZYTKJY-UHFFFAOYSA-N -1 1 328.362 3.728 20 30 EHEDMM C[C@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1cccc(C#N)c1[O-] ZINC000866328145 1137346016 /nfs/dbraw/zinc/34/60/16/1137346016.db2.gz NFJQQOSQORHAES-ZDUSSCGKSA-N -1 1 337.423 3.965 20 30 EHEDMM Cc1ccc([O-])c(C(=O)/C=C/c2ccc(Cl)cc2-n2cncn2)c1 ZINC000794940676 1137368399 /nfs/dbraw/zinc/36/83/99/1137368399.db2.gz CHDZTIANHSNHSG-QPJJXVBHSA-N -1 1 339.782 3.831 20 30 EHEDMM Cc1ccc(C(=O)Nc2ccccc2-c2ccc(C#N)cn2)c([O-])c1 ZINC001148505676 1137427071 /nfs/dbraw/zinc/42/70/71/1137427071.db2.gz BLINFBDXBWVGPV-UHFFFAOYSA-N -1 1 329.359 3.887 20 30 EHEDMM CCOc1ccc(C(=O)/C=C/c2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000122572970 1137450885 /nfs/dbraw/zinc/45/08/85/1137450885.db2.gz QVMRCZYWEGRDNZ-ZZXKWVIFSA-N -1 1 331.299 3.734 20 30 EHEDMM Cc1ccc([O-])c(C(=O)/C=C/c2ccc3c(c2)sc(=O)n3C)c1 ZINC000773143057 1137469480 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COc1cc(C(=O)[O-])ccc1N=NCc1nc2ccc(F)cc2s1 ZINC000761828914 978715128 /nfs/dbraw/zinc/71/51/28/978715128.db2.gz VNHOCRXEXRWUAA-UHFFFAOYSA-N -1 1 345.355 3.588 20 30 EHEDMM CC[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cc(F)ccc1F ZINC001595276033 980298232 /nfs/dbraw/zinc/29/82/32/980298232.db2.gz AYCHIAXJBXASHB-IAGOWNOFSA-N -1 1 330.334 3.703 20 30 EHEDMM CC[C@@](NCc1cc(C#N)ccc1F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595298484 980417824 /nfs/dbraw/zinc/41/78/24/980417824.db2.gz MPGPRAIAFPWCKT-SFHVURJKSA-N -1 1 346.789 3.830 20 30 EHEDMM CC[C@@](NCc1ccc(C#N)cc1F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595299582 980428732 /nfs/dbraw/zinc/42/87/32/980428732.db2.gz YWZCAWMIUICCSD-SFHVURJKSA-N -1 1 346.789 3.830 20 30 EHEDMM C#CCN(Cc1cc(C(=O)[O-])ccc1OC)[C@@H]1CCCc2ccccc21 ZINC001588469678 983502806 /nfs/dbraw/zinc/50/28/06/983502806.db2.gz MLIDVKKKQICFPG-HXUWFJFHSA-N -1 1 349.430 3.906 20 30 EHEDMM C=CCN(Cc1cc(C(=O)[O-])ccc1Br)C(C)(C)C ZINC001588829394 984314129 /nfs/dbraw/zinc/31/41/29/984314129.db2.gz 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ZINC001128777634 1130159512 /nfs/dbraw/zinc/15/95/12/1130159512.db2.gz MKBHWIQMUJSUKP-LLVKDONJSA-N -1 1 345.187 3.595 20 30 EHEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000730996102 1130758951 /nfs/dbraw/zinc/75/89/51/1130758951.db2.gz MXHSQHXECIIKFQ-UHFFFAOYSA-N -1 1 329.421 3.623 20 30 EHEDMM COc1ccc(OC(F)F)c(/C=C2\Oc3cc([O-])ccc3C2=O)c1 ZINC000732926269 1130971149 /nfs/dbraw/zinc/97/11/49/1130971149.db2.gz KJGWMJDILDWENC-CHHVJCJISA-N -1 1 334.274 3.618 20 30 EHEDMM Cc1ccncc1Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001174117352 1132232593 /nfs/dbraw/zinc/23/25/93/1132232593.db2.gz XJPKLUMPFUNYQQ-DJKKODMXSA-N -1 1 337.408 3.669 20 30 EHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cnn(Cc2ccc(F)cc2)c1 ZINC000187230113 1132454092 /nfs/dbraw/zinc/45/40/92/1132454092.db2.gz VVWOSCMSQZGONM-APSNUPSMSA-N -1 1 334.350 3.599 20 30 EHEDMM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc([O-])cc1 ZINC000768486368 1133147978 /nfs/dbraw/zinc/14/79/78/1133147978.db2.gz ZUTGVMDNKCXZHZ-TWGQIWQCSA-N -1 1 326.302 3.957 20 30 EHEDMM O=C1c2ccc([O-])cc2OC1=Cc1c[nH]nc1-c1c(F)cccc1F ZINC000768493023 1133148699 /nfs/dbraw/zinc/14/86/99/1133148699.db2.gz KFGBXFUEBFJFPA-UUASQNMZSA-N -1 1 340.285 3.677 20 30 EHEDMM [O-]/N=C/c1cc(NCc2ccc(O)c(O)c2)cc(C(F)(F)F)c1 ZINC001169996962 1133189451 /nfs/dbraw/zinc/18/94/51/1133189451.db2.gz OHUOTKLDYWNMAD-DNTJNYDQSA-N -1 1 326.274 3.537 20 30 EHEDMM CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2[O-])cc1 ZINC001185839321 1134140065 /nfs/dbraw/zinc/14/00/65/1134140065.db2.gz KWHXHSNPZDTHJZ-UHFFFAOYSA-N -1 1 337.379 3.501 20 30 EHEDMM O=C([O-])c1ccc(C=NNc2cccc(F)c2[N+](=O)[O-])c(Cl)c1 ZINC000790311086 1134401403 /nfs/dbraw/zinc/40/14/03/1134401403.db2.gz WIWUFFJZSBEUSK-UHFFFAOYSA-N -1 1 337.694 3.532 20 30 EHEDMM Cc1coc([N-]C(=O)c2ncc(Cl)cc2C(F)(F)F)c1C#N ZINC001190704846 1134735471 /nfs/dbraw/zinc/73/54/71/1134735471.db2.gz OBTDLHZFKQLCEA-UHFFFAOYSA-N -1 1 329.665 3.779 20 30 EHEDMM COc1ccccc1-c1ncc(/C=C\C(=O)c2ccc([O-])cc2)cn1 ZINC000792857356 1134799662 /nfs/dbraw/zinc/79/96/62/1134799662.db2.gz CPZSDSFGTSRAKR-WDZFZDKYSA-N -1 1 332.359 3.754 20 30 EHEDMM Cc1cc(C)c(C(=O)/C=C\c2cnnn2Cc2ccccc2)c([O-])c1 ZINC000792907467 1134820092 /nfs/dbraw/zinc/82/00/92/1134820092.db2.gz VKMPMRCOPRUIFI-HJWRWDBZSA-N -1 1 333.391 3.545 20 30 EHEDMM COc1cc(C#N)c(F)cc1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192335896 1135000470 /nfs/dbraw/zinc/00/04/70/1135000470.db2.gz ORZPAMNNRQGHFO-UHFFFAOYSA-N -1 1 342.370 3.961 20 30 EHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1c(Cl)cc(F)cc1-c1ccccc1 ZINC001193161426 1135111247 /nfs/dbraw/zinc/11/12/47/1135111247.db2.gz OUNUTOZSDBFKQY-JTQLQIEISA-N -1 1 338.791 3.800 20 30 EHEDMM C[C@H](C#N)S(=O)(=O)[N-]c1c(Cl)cc(F)cc1-c1ccccc1 ZINC001193161431 1135111293 /nfs/dbraw/zinc/11/12/93/1135111293.db2.gz OUNUTOZSDBFKQY-SNVBAGLBSA-N -1 1 338.791 3.800 20 30 EHEDMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2nc(C#N)sc2c1 ZINC001194637569 1135295127 /nfs/dbraw/zinc/29/51/27/1135295127.db2.gz BDIPQURUNXEZHS-UHFFFAOYSA-N -1 1 343.433 3.586 20 30 EHEDMM CCCCCCCCCOC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001194920681 1135341239 /nfs/dbraw/zinc/34/12/39/1135341239.db2.gz KWKSQFGZIUHXHL-UHFFFAOYSA-N -1 1 337.416 3.757 20 30 EHEDMM N#CC(=C([O-])c1ccnc(C(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000809004239 1135767344 /nfs/dbraw/zinc/76/73/44/1135767344.db2.gz NNURIQRSHCXKGB-LLVKDONJSA-N -1 1 342.280 3.534 20 30 EHEDMM C[C@H](C#N)c1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cc1 ZINC001198863352 1135862761 /nfs/dbraw/zinc/86/27/61/1135862761.db2.gz ZFDMXQGKDPOPIE-GFCCVEGCSA-N -1 1 326.377 3.861 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccccc2-c2ccnn2C)c1 ZINC000814189356 1136420555 /nfs/dbraw/zinc/42/05/55/1136420555.db2.gz BROQKUKJXVUOGJ-CLFYSBASSA-N -1 1 334.375 3.697 20 30 EHEDMM CC(N=Nc1ccccc1F)c1cccc(OCCCC(=O)[O-])c1 ZINC000814789661 1136504959 /nfs/dbraw/zinc/50/49/59/1136504959.db2.gz LUEOEITUNFVRSN-UHFFFAOYSA-N -1 1 330.359 3.905 20 30 EHEDMM CC(N=Nc1ccc(F)c(F)c1F)c1ccc(C(=O)[O-])c(F)c1 ZINC000814946251 1136529270 /nfs/dbraw/zinc/52/92/70/1136529270.db2.gz IFIQGPAXDQLIKL-UHFFFAOYSA-N -1 1 326.249 3.777 20 30 EHEDMM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)o1 ZINC000815909178 1136646937 /nfs/dbraw/zinc/64/69/37/1136646937.db2.gz SXJKHQAUFJNPAM-HNNXBMFYSA-N -1 1 347.374 3.660 20 30 EHEDMM C=CCCC1(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)CCCC1 ZINC000855298566 1136683660 /nfs/dbraw/zinc/68/36/60/1136683660.db2.gz BTFHFGOYIFCPDE-UHFFFAOYSA-N -1 1 331.460 3.870 20 30 EHEDMM CC[C@@]1(C)CCCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000844581144 1137237705 /nfs/dbraw/zinc/23/77/05/1137237705.db2.gz IRNHMNJAMXQULV-KRWDZBQOSA-N -1 1 330.436 3.655 20 30 EHEDMM COCCOc1cc(C)ccc1N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866316940 1137345226 /nfs/dbraw/zinc/34/52/26/1137345226.db2.gz WUMDXMPKVQOMTJ-CQSZACIVSA-N -1 1 326.396 3.771 20 30 EHEDMM CCNC(=O)Nc1cccc(N[C@H](C)c2cccc(C#N)c2[O-])c1C ZINC000866348742 1137348099 /nfs/dbraw/zinc/34/80/99/1137348099.db2.gz DTERUXHPZPMZDG-CYBMUJFWSA-N -1 1 338.411 3.887 20 30 EHEDMM O=C1c2cn(-c3ccccc3)nc2CC/C1=C/c1ccc([O-])c(F)c1 ZINC000794952259 1137376879 /nfs/dbraw/zinc/37/68/79/1137376879.db2.gz HUSVEZCHXSYBBM-UVTDQMKNSA-N -1 1 334.350 3.930 20 30 EHEDMM C=CC[C@@H](NC(=O)c1ccc(-n2[n-]c(C)cc2=O)cc1)c1ccccc1 ZINC001148339374 1137422672 /nfs/dbraw/zinc/42/26/72/1137422672.db2.gz BITAXDUSMVMFDI-LJQANCHMSA-N -1 1 347.418 3.846 20 30 EHEDMM O=C1c2ccc(F)cc2O/C1=C/c1ccc([O-])c(Br)c1 ZINC000773170819 1137472830 /nfs/dbraw/zinc/47/28/30/1137472830.db2.gz DYODTTSOARAHPQ-MKMNVTDBSA-N -1 1 335.128 3.910 20 30 EHEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NOCCC(F)(F)F)cs1 ZINC000872365624 1137578934 /nfs/dbraw/zinc/57/89/34/1137578934.db2.gz ABWJXDXOFRFAHB-UHFFFAOYSA-N -1 1 339.339 3.793 20 30 EHEDMM C#CCOc1cc(F)ccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001137092734 1137636733 /nfs/dbraw/zinc/63/67/33/1137636733.db2.gz DXNNJHLOGSTHRU-UHFFFAOYSA-N -1 1 327.355 3.919 20 30 EHEDMM C=CCn1c(-c2sc(NC(=O)CCC3CC3)nc2C)n[n-]c1=S ZINC000115376480 1137921874 /nfs/dbraw/zinc/92/18/74/1137921874.db2.gz BEBVVTUYDCAEBQ-UHFFFAOYSA-N -1 1 349.485 3.687 20 30 EHEDMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000187301633 1140248766 /nfs/dbraw/zinc/24/87/66/1140248766.db2.gz PHRIUWMBROEMJT-UHFFFAOYSA-N -1 1 344.436 3.732 20 30 EHEDMM CCCCCC[C@@H]1CCCC1N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000736444584 598567409 /nfs/dbraw/zinc/56/74/09/598567409.db2.gz HMSDWRHKBTVLKE-GFCCVEGCSA-N -1 1 331.424 3.702 20 30 EHEDMM C[C@@H](C(=O)[O-])n1cccc1C=NNc1cc(C(F)(F)F)ccc1F ZINC000833406928 605041074 /nfs/dbraw/zinc/04/10/74/605041074.db2.gz PTSHGEJVOLFPNZ-VIFPVBQESA-N -1 1 343.280 3.738 20 30 EHEDMM N#Cc1cccc(CN[C@H](CNC(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000833978611 605632536 /nfs/dbraw/zinc/63/25/36/605632536.db2.gz PYZCVIXAUAXLSN-HXUWFJFHSA-N -1 1 345.402 3.810 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(C[S@@](C)=O)c2)n1 ZINC000080455463 1032068179 /nfs/dbraw/zinc/06/81/79/1032068179.db2.gz WEHXCNOOOKUVCJ-PSLXWICFSA-N -1 1 346.477 3.635 20 30 EHEDMM CC[C@@](C)(NCc1cccc(C(=O)[O-])c1C#N)c1ccc(F)cc1 ZINC001594852840 982100331 /nfs/dbraw/zinc/10/03/31/982100331.db2.gz VIVBFFCFCYRKHO-LJQANCHMSA-N -1 1 326.371 3.811 20 30 EHEDMM C#CCN(Cc1c2ccccc2[nH]c1C(=O)[O-])Cc1ccc(F)cc1 ZINC001588469347 983501843 /nfs/dbraw/zinc/50/18/43/983501843.db2.gz GGZJYFMSUJTAHC-UHFFFAOYSA-N -1 1 336.366 3.641 20 30 EHEDMM COc1ccc(/C=C\C(=O)c2cc(C)ccc2[O-])c(OC)c1OC ZINC000254999255 1015453872 /nfs/dbraw/zinc/45/38/72/1015453872.db2.gz MVBFALCFDWJKPK-TWGQIWQCSA-N -1 1 328.364 3.623 20 30 EHEDMM CN(Cc1cccc(C#N)c1)Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001598525510 992714688 /nfs/dbraw/zinc/71/46/88/992714688.db2.gz NNCNJSIBESLONG-UHFFFAOYSA-N -1 1 348.324 3.907 20 30 EHEDMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1C ZINC000134776645 1015781477 /nfs/dbraw/zinc/78/14/77/1015781477.db2.gz GTNQJWSBYNGCKK-UHFFFAOYSA-N -1 1 348.811 3.524 20 30 EHEDMM CC(C)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc2ccccc2[nH]1 ZINC000190043609 1017053738 /nfs/dbraw/zinc/05/37/38/1017053738.db2.gz OWVCZRMOKFWESS-KRWDZBQOSA-N -1 1 348.406 3.657 20 30 EHEDMM COc1cc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)cc([N+](=O)[O-])c1O ZINC000119268379 1018133776 /nfs/dbraw/zinc/13/37/76/1018133776.db2.gz OBBFSXPVSVIDNF-DUXPYHPUSA-N -1 1 349.726 3.564 20 30 EHEDMM CC[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000614370591 1018884249 /nfs/dbraw/zinc/88/42/49/1018884249.db2.gz QQLRJEHWCVNPBT-JXFKEZNVSA-N -1 1 334.419 3.920 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000614375202 1018892582 /nfs/dbraw/zinc/89/25/82/1018892582.db2.gz JSNBJUZDDVBECF-HXUWFJFHSA-N -1 1 346.361 3.922 20 30 EHEDMM COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)c(Br)c1O ZINC000761013941 1032810435 /nfs/dbraw/zinc/81/04/35/1032810435.db2.gz VACWSVVMKNUWPS-XBXARRHUSA-N -1 1 349.180 3.765 20 30 EHEDMM COc1c(Br)ccc(Nc2ccc(F)c([O-])c2)c1C#N ZINC001211221347 1019693653 /nfs/dbraw/zinc/69/36/53/1019693653.db2.gz WKJOQZYHSYCJCI-UHFFFAOYSA-N -1 1 337.148 3.918 20 30 EHEDMM Cc1c(C#N)cccc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000513612726 1019871487 /nfs/dbraw/zinc/87/14/87/1019871487.db2.gz GRLKQZLTACTPSM-UHFFFAOYSA-N -1 1 342.811 3.646 20 30 EHEDMM COc1cc(C(=O)NC2(C(N)=O)CCCCC2)cc(Cl)c1[O-] ZINC000331266659 1022772696 /nfs/dbraw/zinc/77/26/96/1022772696.db2.gz ITHJIBBLLIGFHY-UHFFFAOYSA-N -1 1 326.780 3.597 20 30 EHEDMM NC(=O)C1CCC(NC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000331235458 1022776182 /nfs/dbraw/zinc/77/61/82/1022776182.db2.gz LLMAGXUEVRIJGQ-UHFFFAOYSA-N -1 1 341.205 3.553 20 30 EHEDMM CCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2NC)cc1CC ZINC000507938128 1024773507 /nfs/dbraw/zinc/77/35/07/1024773507.db2.gz OADLHCKFDVDTRP-UHFFFAOYSA-N -1 1 343.452 3.526 20 30 EHEDMM Cc1nc(CC(C)C)oc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000530447320 1025818002 /nfs/dbraw/zinc/81/80/02/1025818002.db2.gz RGSBGXDHHPITGI-CYBMUJFWSA-N -1 1 336.395 3.856 20 30 EHEDMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2ncn(C3CCCCC3)n2)s1 ZINC000329557976 1026000140 /nfs/dbraw/zinc/00/01/40/1026000140.db2.gz LJVMIIPRUSAALC-NSHDSACASA-N -1 1 349.460 3.974 20 30 EHEDMM CCOc1cc(/C=C2\Cc3cc([O-])ccc3C2=O)cc(Cl)c1O ZINC000588534979 1026795633 /nfs/dbraw/zinc/79/56/33/1026795633.db2.gz HDWYONQXOXXZRT-LFYBBSHMSA-N -1 1 330.767 3.972 20 30 EHEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000055639986 1028282968 /nfs/dbraw/zinc/28/29/68/1028282968.db2.gz QFLDEPWUCRBYMV-UHFFFAOYSA-N -1 1 348.399 3.618 20 30 EHEDMM CCSCc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000525009825 1029648763 /nfs/dbraw/zinc/64/87/63/1029648763.db2.gz JMQZCNGGYMYSGB-UHFFFAOYSA-N -1 1 346.477 3.921 20 30 EHEDMM C=C(C)[C@@H](CC(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)OCC ZINC000536042266 1029887934 /nfs/dbraw/zinc/88/79/34/1029887934.db2.gz QLQAGDAXWXOUOY-LLVKDONJSA-N -1 1 339.848 3.523 20 30 EHEDMM N#Cc1cccc(-c2cc(C(=O)[N-]c3cc(F)c(F)cc3F)on2)c1 ZINC000447479516 1030217663 /nfs/dbraw/zinc/21/76/63/1030217663.db2.gz PLGQWHHDIMFEEN-UHFFFAOYSA-N -1 1 343.264 3.883 20 30 EHEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000343357243 1030484631 /nfs/dbraw/zinc/48/46/31/1030484631.db2.gz RRIFBZBKHUXSTP-SNVBAGLBSA-N -1 1 330.369 3.569 20 30 EHEDMM COCCOc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000177768432 1031565282 /nfs/dbraw/zinc/56/52/82/1031565282.db2.gz UPUYSLIFVUTNCW-HNNXBMFYSA-N -1 1 344.436 3.782 20 30 EHEDMM C=CCOc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1OC ZINC000445459174 1031909285 /nfs/dbraw/zinc/90/92/85/1031909285.db2.gz YHGSMXYLDFCKCQ-UHFFFAOYSA-N -1 1 342.326 3.822 20 30 EHEDMM C=CCC1(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)CCCCC1 ZINC000456390078 1034393681 /nfs/dbraw/zinc/39/36/81/1034393681.db2.gz YIDKTTWMACMLOM-UHFFFAOYSA-N -1 1 349.500 3.540 20 30 EHEDMM CC(C)CCc1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000604496210 1034399043 /nfs/dbraw/zinc/39/90/43/1034399043.db2.gz CFUGICMKSKZEKO-UHFFFAOYSA-N -1 1 328.437 3.948 20 30 EHEDMM N#Cc1ccc(C(=O)NC(c2cccs2)c2cccs2)cc1[O-] ZINC000188464436 1034494527 /nfs/dbraw/zinc/49/45/27/1034494527.db2.gz JIZZJQPULYEBNC-UHFFFAOYSA-N -1 1 340.429 3.906 20 30 EHEDMM 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/nfs/dbraw/zinc/51/60/39/1137516039.db2.gz GFGBMCGAVCLGTN-INIZCTEOSA-N -1 1 338.382 3.811 20 30 EHEDMM C(=NN(c1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)o1 ZINC000819718261 599328324 /nfs/dbraw/zinc/32/83/24/599328324.db2.gz CKBHSYFSNPESGL-UHFFFAOYSA-N -1 1 330.351 3.632 20 30 EHEDMM C(=NN(c1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC000819718261 599328326 /nfs/dbraw/zinc/32/83/26/599328326.db2.gz CKBHSYFSNPESGL-UHFFFAOYSA-N -1 1 330.351 3.632 20 30 EHEDMM CC(C)c1csc(C(C#N)C(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000827139251 604886893 /nfs/dbraw/zinc/88/68/93/604886893.db2.gz IARLJPFNURATLC-LLVKDONJSA-N -1 1 332.356 3.594 20 30 EHEDMM CC(C)c1ccc([C@H](C)NN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820192339 606370132 /nfs/dbraw/zinc/37/01/32/606370132.db2.gz KJWHNWSJNVWEKD-LBPRGKRZSA-N -1 1 340.456 3.736 20 30 EHEDMM Cc1c2ccccc2oc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822014855 606389182 /nfs/dbraw/zinc/38/91/82/606389182.db2.gz ACLGKKFSKAFSOI-VURMDHGXSA-N -1 1 336.376 3.879 20 30 EHEDMM CCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825339155 608092608 /nfs/dbraw/zinc/09/26/08/608092608.db2.gz PAJPAVNBYPWRSK-YVMONPNESA-N -1 1 340.408 3.613 20 30 EHEDMM CCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825339155 608092609 /nfs/dbraw/zinc/09/26/09/608092609.db2.gz PAJPAVNBYPWRSK-YVMONPNESA-N -1 1 340.408 3.613 20 30 EHEDMM C=C[C@H](Sc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1)C(=O)[O-] ZINC001588714394 983951104 /nfs/dbraw/zinc/95/11/04/983951104.db2.gz GHPBJWFNBCJKJQ-VIFPVBQESA-N -1 1 330.196 3.510 20 30 EHEDMM O=C(C=Cc1ccc([O-])c(F)c1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000755588026 1032727318 /nfs/dbraw/zinc/72/73/18/1032727318.db2.gz MXCYZEAZZKLNCZ-RJRFIUFISA-N -1 1 327.233 3.547 20 30 EHEDMM C=C(C)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000729069306 1019174998 /nfs/dbraw/zinc/17/49/98/1019174998.db2.gz NQTLAZIVGORAJK-UHFFFAOYSA-N -1 1 345.420 3.529 20 30 EHEDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1O ZINC000593210138 1032816046 /nfs/dbraw/zinc/81/60/46/1032816046.db2.gz HVLIOKONTXRASX-UHFFFAOYSA-N -1 1 344.436 3.611 20 30 EHEDMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000513388169 1019598768 /nfs/dbraw/zinc/59/87/68/1019598768.db2.gz CGQWOIFXQKAPQK-AWEZNQCLSA-N -1 1 344.436 3.845 20 30 EHEDMM C=C[C@H](C)NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430588251 1020811448 /nfs/dbraw/zinc/81/14/48/1020811448.db2.gz CLUWFLIWSPGYQW-ZDUSSCGKSA-N -1 1 334.375 3.625 20 30 EHEDMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc(C#N)cc1 ZINC000436764901 1021210687 /nfs/dbraw/zinc/21/06/87/1021210687.db2.gz VBFIVHLCWLKFNK-JTQLQIEISA-N -1 1 334.297 3.774 20 30 EHEDMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427197691 1021224222 /nfs/dbraw/zinc/22/42/22/1021224222.db2.gz LEKZTLBNEYZEMY-LBPRGKRZSA-N -1 1 348.399 3.675 20 30 EHEDMM C=C(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)c(F)c1 ZINC000189221644 1022974879 /nfs/dbraw/zinc/97/48/79/1022974879.db2.gz OKMHZQILNCDPHM-KRWDZBQOSA-N -1 1 328.318 3.589 20 30 EHEDMM C=CC[C@@H](NCc1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000426818618 1023065170 /nfs/dbraw/zinc/06/51/70/1023065170.db2.gz VXXBJPYPYHLUSF-CYBMUJFWSA-N -1 1 328.393 3.675 20 30 EHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Cl)c(C)c2)n1 ZINC000346175552 1024490309 /nfs/dbraw/zinc/49/03/09/1024490309.db2.gz AMIRKKFSRXWYKU-NSHDSACASA-N -1 1 348.811 3.772 20 30 EHEDMM COc1cc2c(c(/C=C3\Oc4cc([O-])cc(C)c4C3=O)c1)O[C@H](C)C2 ZINC000728440914 1024496980 /nfs/dbraw/zinc/49/69/80/1024496980.db2.gz XYUFBRADNHZTLP-XZDJTBRNSA-N -1 1 338.359 3.649 20 30 EHEDMM N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527112 1033271944 /nfs/dbraw/zinc/27/19/44/1033271944.db2.gz KXPJJXSJZPPWSE-OAHLLOKOSA-N -1 1 344.361 3.585 20 30 EHEDMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1 ZINC000515625880 1025421938 /nfs/dbraw/zinc/42/19/38/1025421938.db2.gz INORIKKUOQIVBW-UHFFFAOYSA-N -1 1 344.436 3.784 20 30 EHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccc(Oc2cnccn2)cc1 ZINC000588535016 1026795479 /nfs/dbraw/zinc/79/54/79/1026795479.db2.gz JCEHDCJQQJQJSZ-DHDCSXOGSA-N -1 1 330.343 3.797 20 30 EHEDMM C=CCN(Cc1ccccc1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153563045 1028192967 /nfs/dbraw/zinc/19/29/67/1028192967.db2.gz COTPDTMDNUSFCO-UHFFFAOYSA-N -1 1 331.799 3.883 20 30 EHEDMM COCc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114619310 1029547546 /nfs/dbraw/zinc/54/75/46/1029547546.db2.gz SKVFRNPFPWQGGT-MRXNPFEDSA-N -1 1 349.415 3.842 20 30 EHEDMM CC(C)Oc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1C#N ZINC000343219911 1029794992 /nfs/dbraw/zinc/79/49/92/1029794992.db2.gz RNZMPZUWZJLLKY-UHFFFAOYSA-N -1 1 330.771 3.957 20 30 EHEDMM COc1cc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)sn1 ZINC000599390219 1033913816 /nfs/dbraw/zinc/91/38/16/1033913816.db2.gz HWZMYZDEECDZKC-SNVBAGLBSA-N -1 1 333.438 3.656 20 30 EHEDMM COCCOc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377460 1034116432 /nfs/dbraw/zinc/11/64/32/1034116432.db2.gz KZGHDDGLXPCEKX-OAHLLOKOSA-N -1 1 342.420 3.536 20 30 EHEDMM O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1cc(O)ccc1[O-] ZINC000255694047 1034220663 /nfs/dbraw/zinc/22/06/63/1034220663.db2.gz NYUAKVOTJNYQCT-CLTKARDFSA-N -1 1 347.370 3.968 20 30 EHEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C)s2)cc1 ZINC000171566951 1034471208 /nfs/dbraw/zinc/47/12/08/1034471208.db2.gz OQPWNSJWYNXKMD-ABAIWWIYSA-N -1 1 341.436 3.926 20 30 EHEDMM COCc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1C#N ZINC000530146004 1035004945 /nfs/dbraw/zinc/00/49/45/1035004945.db2.gz YJXBZQIMRDBQBJ-UHFFFAOYSA-N -1 1 344.436 3.629 20 30 EHEDMM CCOc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])cc(Cl)c1O ZINC000156664671 1035580808 /nfs/dbraw/zinc/58/08/08/1035580808.db2.gz HWKSSFXMHRXSIC-HWKANZROSA-N -1 1 334.755 3.752 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)cc1 ZINC000066588484 1035851213 /nfs/dbraw/zinc/85/12/13/1035851213.db2.gz KITVEHZIVXPWMU-UHFFFAOYSA-N -1 1 340.376 3.674 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc(F)c(C#N)c1Cl)O2 ZINC000761479168 1036190173 /nfs/dbraw/zinc/19/01/73/1036190173.db2.gz XFZCKBOXJPIAJT-LHHJGKSTSA-N -1 1 329.714 3.981 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c1 ZINC000589171819 1036268576 /nfs/dbraw/zinc/26/85/76/1036268576.db2.gz IEMPBVONCYACFQ-UHFFFAOYSA-N -1 1 347.252 3.676 20 30 EHEDMM CCCC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(OC)cc1 ZINC000589177685 1036275700 /nfs/dbraw/zinc/27/57/00/1036275700.db2.gz JYKFICIIMUSWIG-IBGZPJMESA-N -1 1 338.407 3.934 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000589180679 1036293196 /nfs/dbraw/zinc/29/31/96/1036293196.db2.gz FBHPLRDJERJYQX-HNNXBMFYSA-N -1 1 347.201 3.988 20 30 EHEDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1C ZINC000584699715 1039566501 /nfs/dbraw/zinc/56/65/01/1039566501.db2.gz HJFZVENHWBIVLG-UHFFFAOYSA-N -1 1 338.791 3.768 20 30 EHEDMM N#Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])cnc1C(F)(F)F ZINC000343889467 1042574885 /nfs/dbraw/zinc/57/48/85/1042574885.db2.gz QTUXIKRXDIXRSU-UHFFFAOYSA-N -1 1 341.676 3.583 20 30 EHEDMM N#Cc1c(Cl)nsc1NCc1cccc(Br)c1[O-] ZINC000764935556 1127555508 /nfs/dbraw/zinc/55/55/08/1127555508.db2.gz WTYRXGLTUVMVDB-UHFFFAOYSA-N -1 1 344.621 3.748 20 30 EHEDMM CCOc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1OCC ZINC000109196898 1128721106 /nfs/dbraw/zinc/72/11/06/1128721106.db2.gz CPBGRPWUAJMVRP-ZDLGFXPLSA-N -1 1 326.348 3.806 20 30 EHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000063878722 1128903683 /nfs/dbraw/zinc/90/36/83/1128903683.db2.gz KSIUXIRUIASKGL-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM C=CCn1c(SC[C@@H](C)C(=O)c2ccc([O-])cc2)nnc1C1CC1 ZINC000915820993 1121658145 /nfs/dbraw/zinc/65/81/45/1121658145.db2.gz ACNHWUNMPZBLDB-GFCCVEGCSA-N -1 1 343.452 3.658 20 30 EHEDMM O=C([O-])COc1ccccc1C=NNc1c(Cl)cccc1Cl ZINC000763187525 1121812306 /nfs/dbraw/zinc/81/23/06/1121812306.db2.gz CBQUJKGHZNWYBO-UHFFFAOYSA-N -1 1 339.178 3.903 20 30 EHEDMM COc1ccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cc1OC(F)F ZINC000915988722 1122012748 /nfs/dbraw/zinc/01/27/48/1122012748.db2.gz DMBVUNJIHXXVDI-CHHVJCJISA-N -1 1 348.301 3.927 20 30 EHEDMM COC(=O)c1ccc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)o1 ZINC000125116276 1122306088 /nfs/dbraw/zinc/30/60/88/1122306088.db2.gz LMYPMPANMMZFSA-LLVKDONJSA-N -1 1 344.392 3.713 20 30 EHEDMM O=C(COc1ccc(F)cc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379946 1123368809 /nfs/dbraw/zinc/36/88/09/1123368809.db2.gz SVXXLMGHEMXBLE-UHFFFAOYSA-N -1 1 344.169 3.929 20 30 EHEDMM CC(N=Nc1ccccc1C(=O)[O-])c1cccc(Br)c1 ZINC000920947651 1123441777 /nfs/dbraw/zinc/44/17/77/1123441777.db2.gz PGIZCFHFVZCJMD-UHFFFAOYSA-N -1 1 333.185 3.983 20 30 EHEDMM Cc1cc(C)nc(N=NC(C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000765992912 1129581303 /nfs/dbraw/zinc/58/13/03/1129581303.db2.gz QIGIHOFPIGJADA-UHFFFAOYSA-N -1 1 325.199 3.942 20 30 EHEDMM CCc1cc(=O)[n-]c(SCc2cc(Cl)ccc2OCC#N)n1 ZINC000767056945 1132938195 /nfs/dbraw/zinc/93/81/95/1132938195.db2.gz CAGDKMHISJRVDS-UHFFFAOYSA-N -1 1 335.816 3.593 20 30 EHEDMM Cc1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c(C)o1 ZINC000767898959 1133068763 /nfs/dbraw/zinc/06/87/63/1133068763.db2.gz DUJOPOZJRRYOHV-UHFFFAOYSA-N -1 1 344.465 3.951 20 30 EHEDMM N#Cc1ccc(NC(=O)Cc2ccccc2-c2cccnc2)c([O-])c1 ZINC001177974491 1133125409 /nfs/dbraw/zinc/12/54/09/1133125409.db2.gz PEEDFQBSTPDYNN-UHFFFAOYSA-N -1 1 329.359 3.507 20 30 EHEDMM CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc([O-])c(Cl)c1 ZINC000768769503 1133175352 /nfs/dbraw/zinc/17/53/52/1133175352.db2.gz UETYOTRJMWJDQV-UHFFFAOYSA-N -1 1 333.672 3.833 20 30 EHEDMM CCN(CC)c1ccnc(N=NC(C)c2ccc([O-])c(Cl)c2)n1 ZINC000768776968 1133180811 /nfs/dbraw/zinc/18/08/11/1133180811.db2.gz UUHRIUFBHMWDPG-UHFFFAOYSA-N -1 1 333.823 3.518 20 30 EHEDMM C[C@H](Cc1ccccc1)c1cc(C(=O)Nc2ccc(C#N)cc2[O-])n[nH]1 ZINC001185008909 1134013243 /nfs/dbraw/zinc/01/32/43/1134013243.db2.gz AFSUJQYBOSUEHT-CYBMUJFWSA-N -1 1 346.390 3.585 20 30 EHEDMM CC1=C[C@@H](C)C[C@H](C=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1 ZINC000789637443 1134309133 /nfs/dbraw/zinc/30/91/33/1134309133.db2.gz RLAJJVWDBSLQHV-YPMHNXCESA-N -1 1 342.447 3.677 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cscc1C(=O)OC ZINC001187993317 1134409819 /nfs/dbraw/zinc/40/98/19/1134409819.db2.gz SVCDZFUNUOKDGV-UHFFFAOYSA-N -1 1 333.475 3.637 20 30 EHEDMM C=CCC[N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC001188193357 1134438197 /nfs/dbraw/zinc/43/81/97/1134438197.db2.gz AVUXCIQTCBAQGS-UHFFFAOYSA-N -1 1 342.848 3.633 20 30 EHEDMM C=CCC1(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)ccn2)CC1 ZINC001190766133 1134748037 /nfs/dbraw/zinc/74/80/37/1134748037.db2.gz MWIXIGZEONYUSP-UHFFFAOYSA-N -1 1 332.400 3.738 20 30 EHEDMM C=CCC1(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2OC)CC1 ZINC001190813649 1134761081 /nfs/dbraw/zinc/76/10/81/1134761081.db2.gz LYYDLKUNSUXJHN-UHFFFAOYSA-N -1 1 335.347 3.564 20 30 EHEDMM CCCCCCCC[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194577833 1135288007 /nfs/dbraw/zinc/28/80/07/1135288007.db2.gz DUHPXXRCDSQDAL-UHFFFAOYSA-N -1 1 338.395 3.739 20 30 EHEDMM N#Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)cn2)c([O-])c1 ZINC001194758107 1135317996 /nfs/dbraw/zinc/31/79/96/1135317996.db2.gz BAKOYGGSGCHDPO-UHFFFAOYSA-N -1 1 333.322 3.717 20 30 EHEDMM CC(C)(C)c1cnc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)s1 ZINC000806558844 1135459019 /nfs/dbraw/zinc/45/90/19/1135459019.db2.gz NHVWJHBPZUEPHG-SREVYHEPSA-N -1 1 331.393 3.741 20 30 EHEDMM N#Cc1ccc(NC(=S)Nc2cccc(Br)c2)c([O-])c1 ZINC001197006274 1135639389 /nfs/dbraw/zinc/63/93/89/1135639389.db2.gz LNQBTOSUWHSSDU-UHFFFAOYSA-N -1 1 348.225 3.835 20 30 EHEDMM N#Cc1ccc(Br)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201231526 1135997186 /nfs/dbraw/zinc/99/71/86/1135997186.db2.gz KYQIZKZKADBFDS-UHFFFAOYSA-N -1 1 334.129 3.678 20 30 EHEDMM C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1ccc(C(=O)[O-])cc1 ZINC000776177491 1136022568 /nfs/dbraw/zinc/02/25/68/1136022568.db2.gz PTFUINIXSIQTRP-OAHLLOKOSA-N -1 1 337.423 3.695 20 30 EHEDMM N#Cc1c([O-])csc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001202291725 1136123868 /nfs/dbraw/zinc/12/38/68/1136123868.db2.gz RBDPUOYZPPKQPY-UHFFFAOYSA-N -1 1 327.287 3.988 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c1 ZINC000776649236 1136519584 /nfs/dbraw/zinc/51/95/84/1136519584.db2.gz DUIXPPZWWCSCPD-UHFFFAOYSA-N -1 1 341.798 3.770 20 30 EHEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)oc2C)cc1 ZINC000815909891 1136647104 /nfs/dbraw/zinc/64/71/04/1136647104.db2.gz KTEMYGJGEKUNIY-MEDUHNTESA-N -1 1 339.395 3.766 20 30 EHEDMM N#CCc1cccc2c1CCN(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000862542613 1137149076 /nfs/dbraw/zinc/14/90/76/1137149076.db2.gz VFAKJQFXRDLNGK-UHFFFAOYSA-N -1 1 330.790 3.809 20 30 EHEDMM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1ccc(C#N)cc1F ZINC000864528169 1137232616 /nfs/dbraw/zinc/23/26/16/1137232616.db2.gz MIBHHHIACPEFEH-GOSISDBHSA-N -1 1 326.371 3.565 20 30 EHEDMM COc1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)c(Br)c1 ZINC000794711341 1137242392 /nfs/dbraw/zinc/24/23/92/1137242392.db2.gz CMGRMRAERNCYPO-SDQBBNPISA-N -1 1 345.192 3.986 20 30 EHEDMM O=C(/C=C/c1c(Cl)nc2sccn12)c1ccc2nc([O-])oc2c1 ZINC000794716528 1137243017 /nfs/dbraw/zinc/24/30/17/1137243017.db2.gz SPGOQQFNEZZSCH-ONEGZZNKSA-N -1 1 345.767 3.792 20 30 EHEDMM COCCOc1ccc(N[C@@H](C)c2cccc(C#N)c2[O-])cc1F ZINC000866316616 1137345271 /nfs/dbraw/zinc/34/52/71/1137345271.db2.gz RQJDKARUUQTDPZ-LBPRGKRZSA-N -1 1 330.359 3.601 20 30 EHEDMM C[C@@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1cccc(C#N)c1[O-] ZINC000866328144 1137345926 /nfs/dbraw/zinc/34/59/26/1137345926.db2.gz NFJQQOSQORHAES-CYBMUJFWSA-N -1 1 337.423 3.965 20 30 EHEDMM C=C[C@@H](C)O[N-]C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C ZINC000846551466 1137355081 /nfs/dbraw/zinc/35/50/81/1137355081.db2.gz VOZBYRHUQLENEL-GFCCVEGCSA-N -1 1 347.846 3.616 20 30 EHEDMM CCCCCN1c2ccccc2C(=N[N-]c2ncccc2F)C1=O ZINC000794990054 1137398253 /nfs/dbraw/zinc/39/82/53/1137398253.db2.gz MFKJQIFYURVHJH-UHFFFAOYSA-N -1 1 326.375 3.574 20 30 EHEDMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc([C@@H](C)C#N)cc3)cc2)[n-]1 ZINC001148337947 1137422689 /nfs/dbraw/zinc/42/26/89/1137422689.db2.gz RAJRKPNKJKXWDN-ZDUSSCGKSA-N -1 1 346.390 3.679 20 30 EHEDMM Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C#N)c2)c([O-])c1 ZINC001148500245 1137427107 /nfs/dbraw/zinc/42/71/07/1137427107.db2.gz MCIXYEMFYPSHSZ-UHFFFAOYSA-N -1 1 335.407 3.815 20 30 EHEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(C(C)C)s2)c1 ZINC000122419427 1137436667 /nfs/dbraw/zinc/43/66/67/1137436667.db2.gz HIZQGVLMKSQVLF-CYBMUJFWSA-N -1 1 327.409 3.536 20 30 EHEDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)[nH]n1 ZINC000886397765 1138073027 /nfs/dbraw/zinc/07/30/27/1138073027.db2.gz YQOAHTBJDHZRTR-CYBMUJFWSA-N -1 1 346.456 3.570 20 30 EHEDMM O=C(CC(F)(F)C(F)F)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000890202023 1139324336 /nfs/dbraw/zinc/32/43/36/1139324336.db2.gz QBBSPJBJYPMZPB-VIFPVBQESA-N -1 1 335.194 3.836 20 30 EHEDMM N#CC(C(=O)c1ccc(C(=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000821320703 598160067 /nfs/dbraw/zinc/16/00/67/598160067.db2.gz TUEMAWSPAZGWFD-HNNXBMFYSA-N -1 1 348.383 3.998 20 30 EHEDMM CC[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000736920111 600598913 /nfs/dbraw/zinc/59/89/13/600598913.db2.gz NNNHDURIFXKIOU-IAGOWNOFSA-N -1 1 330.334 3.703 20 30 EHEDMM O=C([O-])c1ccccc1NN=Cc1cc(Cl)c(O)cc1Cl ZINC000758098431 605099378 /nfs/dbraw/zinc/09/93/78/605099378.db2.gz CSDZACHGZIWSGO-UHFFFAOYSA-N -1 1 325.151 3.843 20 30 EHEDMM COc1ccc(O)cc1C(C)N=Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833734001 605157928 /nfs/dbraw/zinc/15/79/28/605157928.db2.gz YOWNMECZSOUZIU-UHFFFAOYSA-N -1 1 334.759 3.589 20 30 EHEDMM Clc1ccc(Cl)c(NN=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822574443 606415564 /nfs/dbraw/zinc/41/55/64/606415564.db2.gz UVRORLXPMXQOBH-UHFFFAOYSA-N -1 1 339.211 3.681 20 30 EHEDMM CCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000825341701 608092734 /nfs/dbraw/zinc/09/27/34/608092734.db2.gz IEYSRNOQXFMXCV-SREVYHEPSA-N -1 1 340.408 3.613 20 30 EHEDMM CCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000825341701 608092735 /nfs/dbraw/zinc/09/27/35/608092735.db2.gz IEYSRNOQXFMXCV-SREVYHEPSA-N -1 1 340.408 3.613 20 30 EHEDMM CSc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826230584 608093555 /nfs/dbraw/zinc/09/35/55/608093555.db2.gz AHFSNGOQPFMJIM-DAXSKMNVSA-N 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EHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000431188002 1023456742 /nfs/dbraw/zinc/45/67/42/1023456742.db2.gz UALQUYJKWNKMSB-UHFFFAOYSA-N -1 1 342.420 3.506 20 30 EHEDMM C=CCN(CC=C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000093900710 1024097201 /nfs/dbraw/zinc/09/72/01/1024097201.db2.gz WZRLTEGQJDJXMZ-UHFFFAOYSA-N -1 1 332.400 3.553 20 30 EHEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1C ZINC000435713702 1025101767 /nfs/dbraw/zinc/10/17/67/1025101767.db2.gz GAYYBMOQQODFPK-UHFFFAOYSA-N -1 1 332.450 3.698 20 30 EHEDMM CCCc1c([N-]c2ncccc2[N+](=O)[O-])cnn1-c1cccc(C#N)c1 ZINC000438885673 1025143810 /nfs/dbraw/zinc/14/38/10/1025143810.db2.gz VBVFRHDJHLJOEO-UHFFFAOYSA-N -1 1 348.366 3.743 20 30 EHEDMM N#Cc1c(F)cccc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442921104 1025600548 /nfs/dbraw/zinc/60/05/48/1025600548.db2.gz IUYYQDWVSOTOAW-UHFFFAOYSA-N -1 1 340.232 3.554 20 30 EHEDMM CN(C)c1cc(C#N)cc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436523068 1025827933 /nfs/dbraw/zinc/82/79/33/1025827933.db2.gz ZEQOWHZWHMGEPL-UHFFFAOYSA-N -1 1 340.770 3.700 20 30 EHEDMM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000436536352 1025843569 /nfs/dbraw/zinc/84/35/69/1025843569.db2.gz UVCSUEIPZHJFDR-UHFFFAOYSA-N -1 1 326.371 3.701 20 30 EHEDMM CCc1ccc([C@H](C#N)NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000436729750 1026120596 /nfs/dbraw/zinc/12/05/96/1026120596.db2.gz CKHUAVCUCVBSTJ-HNNXBMFYSA-N -1 1 344.798 3.611 20 30 EHEDMM C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444386907 1027434104 /nfs/dbraw/zinc/43/41/04/1027434104.db2.gz VZYUKNMFFJNIPD-AWEZNQCLSA-N -1 1 344.455 3.996 20 30 EHEDMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)oc1C ZINC000128756259 1030822745 /nfs/dbraw/zinc/82/27/45/1030822745.db2.gz JDCDOPZQMWDNBM-LLVKDONJSA-N -1 1 334.734 3.650 20 30 EHEDMM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190738593 1030930467 /nfs/dbraw/zinc/93/04/67/1030930467.db2.gz WFYQUCWDCWFYJX-UHFFFAOYSA-N -1 1 334.297 3.555 20 30 EHEDMM N#CC1(c2ccc(CN[C@@H](CC(=O)[O-])c3ccccc3F)cc2)CC1 ZINC000904046159 1031667038 /nfs/dbraw/zinc/66/70/38/1031667038.db2.gz WHCDSTPWKADHFR-SFHVURJKSA-N -1 1 338.382 3.686 20 30 EHEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CCc2ccc(Cl)cc21 ZINC000593813733 1034133225 /nfs/dbraw/zinc/13/32/25/1034133225.db2.gz OSQHQQVUKLBJKA-GFCCVEGCSA-N -1 1 340.810 3.719 20 30 EHEDMM CCOc1ccc(N(CC2CC2)C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000601702246 1034705793 /nfs/dbraw/zinc/70/57/93/1034705793.db2.gz QNPFZYWNSNGGOQ-UHFFFAOYSA-N -1 1 336.391 3.719 20 30 EHEDMM COc1cccc(/C=C/C(=O)c2cc(O)ccc2[O-])c1OC(F)F ZINC000156662885 1035580271 /nfs/dbraw/zinc/58/02/71/1035580271.db2.gz LMDAWZSMCRYIGJ-FNORWQNLSA-N -1 1 336.290 3.604 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2c3c(nc4ccccc42)CCC3)n1 ZINC000540947238 1035846844 /nfs/dbraw/zinc/84/68/44/1035846844.db2.gz RJKHLICQCWOUQA-CQSZACIVSA-N -1 1 333.416 3.979 20 30 EHEDMM CC(C)Cc1ccc(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000045571907 1036508708 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Cc1nsc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)c1C#N ZINC000339170398 1038546840 /nfs/dbraw/zinc/54/68/40/1038546840.db2.gz NONZHPVKPQRRGF-UHFFFAOYSA-N -1 1 344.783 3.884 20 30 EHEDMM N#Cc1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1[O-] ZINC000190133857 1038663927 /nfs/dbraw/zinc/66/39/27/1038663927.db2.gz NOJXMZKFKBLARH-UHFFFAOYSA-N -1 1 326.783 3.722 20 30 EHEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(OCc2ccccc2C)c1 ZINC000416965013 1039264963 /nfs/dbraw/zinc/26/49/63/1039264963.db2.gz WUWOWIHTPYXUQM-GOSISDBHSA-N -1 1 344.436 3.618 20 30 EHEDMM CCCOc1ccc(C(C)(C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000478533375 1039520846 /nfs/dbraw/zinc/52/08/46/1039520846.db2.gz FBWSIEAXAQBNRK-UHFFFAOYSA-N -1 1 338.407 3.718 20 30 EHEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000614293514 1040955913 /nfs/dbraw/zinc/95/59/13/1040955913.db2.gz XFCXANNOPTXEHE-SNVBAGLBSA-N -1 1 334.297 3.774 20 30 EHEDMM CC(C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)on1 ZINC000073107430 1127007921 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N#Cc1cc([O-])cc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000619619602 1125374785 /nfs/dbraw/zinc/37/47/85/1125374785.db2.gz NPLGRSXHRZDSSG-UHFFFAOYSA-N -1 1 347.201 3.990 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ncc(-c3ccccc3F)s2)c1 ZINC000619820351 1125412114 /nfs/dbraw/zinc/41/21/14/1125412114.db2.gz NLOPBFSRKBSJJU-UHFFFAOYSA-N -1 1 339.351 3.779 20 30 EHEDMM COc1cc(C=NNc2cccc([N+](=O)[O-])c2C)cc(Cl)c1[O-] ZINC000727973232 1130615777 /nfs/dbraw/zinc/61/57/77/1130615777.db2.gz VOOVOGLQWQTYQD-UHFFFAOYSA-N -1 1 335.747 3.717 20 30 EHEDMM COc1ccc(OC(F)F)c(/C=C2/Oc3cc([O-])cc(C)c3C2=O)c1 ZINC000732926768 1130971196 /nfs/dbraw/zinc/97/11/96/1130971196.db2.gz UNOKMXOZWKYWGJ-VIZOYTHASA-N -1 1 348.301 3.927 20 30 EHEDMM Cc1cccc(N=C2NC(=O)/C(=C/c3cc(F)c([O-])c(F)c3)S2)c1 ZINC000749886727 1130992413 /nfs/dbraw/zinc/99/24/13/1130992413.db2.gz NUHZFBRGPBCERL-ZSOIEALJSA-N -1 1 346.358 3.870 20 30 EHEDMM C=CCOc1ccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cc1 ZINC000744678231 1132140089 /nfs/dbraw/zinc/14/00/89/1132140089.db2.gz XOWPFTQGJIGBHZ-UHFFFAOYSA-N -1 1 340.375 3.559 20 30 EHEDMM CCC(=NNc1cc(C#N)cc(Cl)n1)c1cc(C(=O)[O-])ccc1F ZINC000768381775 1133135250 /nfs/dbraw/zinc/13/52/50/1133135250.db2.gz MAJMXYCMPPCIDV-UHFFFAOYSA-N -1 1 346.749 3.670 20 30 EHEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(C)sn1 ZINC000774043144 1133592197 /nfs/dbraw/zinc/59/21/97/1133592197.db2.gz MUAINFROAJUSLK-CQSZACIVSA-N -1 1 341.436 3.538 20 30 EHEDMM N#Cc1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1N1CCCCC1 ZINC001186226458 1134183032 /nfs/dbraw/zinc/18/30/32/1134183032.db2.gz PSCCSXRPZOPUEU-UHFFFAOYSA-N -1 1 339.370 3.646 20 30 EHEDMM COc1cc(OC)c(NC(=O)Nc2c([O-])cccc2C#N)cc1Cl ZINC001187405713 1134331843 /nfs/dbraw/zinc/33/18/43/1134331843.db2.gz QBGKGQWFYRXAFJ-UHFFFAOYSA-N -1 1 347.758 3.578 20 30 EHEDMM N#Cc1cccc([O-])c1NC(=O)Nc1ccccc1OC(F)(F)F ZINC001190686182 1134740224 /nfs/dbraw/zinc/74/02/24/1134740224.db2.gz ZNSXUQVNEOZYTG-UHFFFAOYSA-N -1 1 337.257 3.806 20 30 EHEDMM N#Cc1ccc(F)c(F)c1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193747303 1135181482 /nfs/dbraw/zinc/18/14/82/1135181482.db2.gz ITXZGQWXAWNVIK-UHFFFAOYSA-N -1 1 342.223 3.813 20 30 EHEDMM Cc1ccc([O-])c(C(=O)Nc2ccccc2-c2ccc(C#N)cc2)n1 ZINC001195331248 1135418382 /nfs/dbraw/zinc/41/83/82/1135418382.db2.gz VRMVMISUXZYVDM-UHFFFAOYSA-N -1 1 329.359 3.887 20 30 EHEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C2(CC2)C1 ZINC001196319223 1135545583 /nfs/dbraw/zinc/54/55/83/1135545583.db2.gz QYGOASIJLPVFNA-AWEZNQCLSA-N -1 1 332.403 3.945 20 30 EHEDMM N#Cc1ccc(-c2ccccc2Nc2cc([O-])cc([N+](=O)[O-])c2)nc1 ZINC001201232143 1135997922 /nfs/dbraw/zinc/99/79/22/1135997922.db2.gz OZOXXOVADLIJRD-UHFFFAOYSA-N -1 1 332.319 3.978 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)(C)C)cc1C#N ZINC001201319690 1136007126 /nfs/dbraw/zinc/00/71/26/1136007126.db2.gz FULBICMKHKYTOJ-UHFFFAOYSA-N -1 1 328.437 3.965 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(C)C)cc1C#N ZINC001201319850 1136007396 /nfs/dbraw/zinc/00/73/96/1136007396.db2.gz KVSDZVUMQSTKEG-UHFFFAOYSA-N -1 1 332.400 3.930 20 30 EHEDMM CC(N=Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(C(=O)[O-])cs1 ZINC000814832731 1136512715 /nfs/dbraw/zinc/51/27/15/1136512715.db2.gz LXPBYLIEYIWOED-UHFFFAOYSA-N -1 1 339.760 3.844 20 30 EHEDMM Cc1c(C(C)N=Nc2ccccc2C(=O)[O-])cnn1-c1ccccc1 ZINC000818265054 1136868523 /nfs/dbraw/zinc/86/85/23/1136868523.db2.gz LIYJCQIOHQCZLG-UHFFFAOYSA-N -1 1 334.379 3.715 20 30 EHEDMM O=C([O-])c1ccccc1NN=C1c2ccccc2CC12CCOCC2 ZINC000794889089 1137326592 /nfs/dbraw/zinc/32/65/92/1137326592.db2.gz VZKJEOJMWAIELB-UHFFFAOYSA-N -1 1 336.391 3.554 20 30 EHEDMM C[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc(C#N)c1[O-] ZINC000866322063 1137345617 /nfs/dbraw/zinc/34/56/17/1137345617.db2.gz RWCLOEMAXFJAEF-KDOFPFPSSA-N -1 1 338.407 3.995 20 30 EHEDMM COCCCOc1ccccc1N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866332362 1137346538 /nfs/dbraw/zinc/34/65/38/1137346538.db2.gz ZABZOTGKEPBMSB-CQSZACIVSA-N -1 1 326.396 3.852 20 30 EHEDMM CCCCCCCOc1ccc(-c2noc(-c3cn[n-]n3)n2)cc1 ZINC001212799293 1137943871 /nfs/dbraw/zinc/94/38/71/1137943871.db2.gz RYSBCYAOECFQFG-UHFFFAOYSA-N -1 1 327.388 3.871 20 30 EHEDMM CC(C)n1cc(C(=O)/C=C\c2ccc([O-])c(Br)c2)cn1 ZINC000214914930 1137948285 /nfs/dbraw/zinc/94/82/85/1137948285.db2.gz XIDSAKGRCTTZPH-HYXAFXHYSA-N -1 1 335.201 3.828 20 30 EHEDMM C[C@]1(Cc2cccs2)CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000885256661 1137993100 /nfs/dbraw/zinc/99/31/00/1137993100.db2.gz HKXVTXSNFRABIE-GOSISDBHSA-N -1 1 326.421 3.563 20 30 EHEDMM C[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)Cc1cccc(F)c1 ZINC000073028414 1138110283 /nfs/dbraw/zinc/11/02/83/1138110283.db2.gz XHQHCOBVLYBINX-MRVPVSSYSA-N -1 1 330.285 3.820 20 30 EHEDMM N#CCCSc1ccccc1[N-]C(=O)c1nc2cccnc2s1 ZINC000338177003 1138776308 /nfs/dbraw/zinc/77/63/08/1138776308.db2.gz NYCWZFYKTJATGV-UHFFFAOYSA-N -1 1 340.433 3.949 20 30 EHEDMM CCCCCCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736447850 598720543 /nfs/dbraw/zinc/72/05/43/598720543.db2.gz IVHKXILUIHWMOV-UHFFFAOYSA-N -1 1 345.834 3.805 20 30 EHEDMM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)cc1Cl ZINC000736661371 600598960 /nfs/dbraw/zinc/59/89/60/600598960.db2.gz GDYOJEGAJAZEGZ-QLJPJBMISA-N -1 1 332.762 3.827 20 30 EHEDMM N#CC(C(=O)CN(C(=O)[O-])c1ccccc1)c1ccc2ccccc2n1 ZINC000833961737 605693178 /nfs/dbraw/zinc/69/31/78/605693178.db2.gz UPXUNNGZXAXGEG-INIZCTEOSA-N -1 1 345.358 3.596 20 30 EHEDMM CC(C)c1ccc([C@@H](C)NN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820192338 606370532 /nfs/dbraw/zinc/37/05/32/606370532.db2.gz KJWHNWSJNVWEKD-GFCCVEGCSA-N -1 1 340.456 3.736 20 30 EHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCC[C@H](C)c2ccccc2)o1 ZINC000824352770 607886457 /nfs/dbraw/zinc/88/64/57/607886457.db2.gz MQYZHFRJBQUIPW-LBPRGKRZSA-N -1 1 339.403 3.570 20 30 EHEDMM C#CCN(Cc1cc(C(=O)[O-])c(C(C)C)[nH]1)[C@@H]1CCc2ccccc21 ZINC001573311573 962706199 /nfs/dbraw/zinc/70/61/99/962706199.db2.gz UGZLCJGBTTXXDD-LJQANCHMSA-N -1 1 336.435 3.959 20 30 EHEDMM CC(C)(C#N)c1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000846777554 979465158 /nfs/dbraw/zinc/46/51/58/979465158.db2.gz LKHWTZBSYNKSIW-QGZVFWFLSA-N -1 1 326.371 3.542 20 30 EHEDMM C#CC[C@H]1CCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000849344083 979495189 /nfs/dbraw/zinc/49/51/89/979495189.db2.gz BDFDNAOXWHGKFK-AWEZNQCLSA-N -1 1 340.448 3.744 20 30 EHEDMM CC[C@](NCc1cc(C#N)ccc1F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595298483 980417599 /nfs/dbraw/zinc/41/75/99/980417599.db2.gz MPGPRAIAFPWCKT-GOSISDBHSA-N -1 1 346.789 3.830 20 30 EHEDMM CC(C)[C@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc(F)cc1 ZINC001591030268 991331311 /nfs/dbraw/zinc/33/13/11/991331311.db2.gz HGDLILWJUMZYRP-SFHVURJKSA-N -1 1 326.371 3.882 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc(Oc3cnccn3)cc2)c1 ZINC000255033623 1015852901 /nfs/dbraw/zinc/85/29/01/1015852901.db2.gz CZYSCSJETRCCTO-YWEYNIOJSA-N -1 1 348.358 3.879 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000614357838 1018846887 /nfs/dbraw/zinc/84/68/87/1018846887.db2.gz IUGHINLEFKXQPK-INIZCTEOSA-N -1 1 349.415 3.851 20 30 EHEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000255203086 1019276209 /nfs/dbraw/zinc/27/62/09/1019276209.db2.gz NHUYDBJGQSEFMK-CLFYSBASSA-N -1 1 325.755 3.522 20 30 EHEDMM CSc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000536990324 1019479032 /nfs/dbraw/zinc/47/90/32/1019479032.db2.gz VIRIPOIKQYAILR-UHFFFAOYSA-N -1 1 332.450 3.698 20 30 EHEDMM CCOc1cc(/C=C/c2ccncc2C#N)cc(Br)c1[O-] ZINC000436813040 1021256956 /nfs/dbraw/zinc/25/69/56/1021256956.db2.gz CNBINAJSSHLWJZ-ONEGZZNKSA-N -1 1 345.196 3.990 20 30 EHEDMM CC(C)(c1nc(-c2ccc([O-])cc2F)no1)c1cc(F)cc(C#N)c1 ZINC000436876243 1021318276 /nfs/dbraw/zinc/31/82/76/1021318276.db2.gz XOYJBAOKEURQKA-UHFFFAOYSA-N -1 1 341.317 3.918 20 30 EHEDMM C=CCC1(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CCC1 ZINC000436922237 1021380614 /nfs/dbraw/zinc/38/06/14/1021380614.db2.gz ZOTTXPINRUYHBL-UHFFFAOYSA-N -1 1 332.791 3.516 20 30 EHEDMM C=CCC1(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)CCC1 ZINC000436922237 1021380630 /nfs/dbraw/zinc/38/06/30/1021380630.db2.gz ZOTTXPINRUYHBL-UHFFFAOYSA-N -1 1 332.791 3.516 20 30 EHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000439624286 1021608439 /nfs/dbraw/zinc/60/84/39/1021608439.db2.gz VFUYPRDQVVBBEZ-UHFFFAOYSA-N -1 1 349.843 3.753 20 30 EHEDMM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC000426807344 1023053596 /nfs/dbraw/zinc/05/35/96/1023053596.db2.gz NEGFCDWYBMNQAO-QGZVFWFLSA-N -1 1 349.789 3.959 20 30 EHEDMM N#CC(=C([O-])c1cccc(C(F)F)c1F)c1nnc2n1CCCCC2 ZINC000528929552 1033106951 /nfs/dbraw/zinc/10/69/51/1033106951.db2.gz SRLMJEKSHPAVAZ-GFCCVEGCSA-N -1 1 348.328 3.571 20 30 EHEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000189879633 1023129181 /nfs/dbraw/zinc/12/91/81/1023129181.db2.gz ZRGPXGGQTBDEMA-UHFFFAOYSA-N -1 1 332.812 3.807 20 30 EHEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000435137703 1024648529 /nfs/dbraw/zinc/64/85/29/1024648529.db2.gz FVTBCRQHQDVIII-UHFFFAOYSA-N -1 1 348.399 3.594 20 30 EHEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000840539008 1025448518 /nfs/dbraw/zinc/44/85/18/1025448518.db2.gz UJEGORCQSMTSLE-INIZCTEOSA-N -1 1 339.439 3.531 20 30 EHEDMM COc1ccc2cc(CN(C)C(=O)c3ccc(C#N)c([O-])c3)ccc2c1 ZINC000442864779 1025537994 /nfs/dbraw/zinc/53/79/94/1025537994.db2.gz DMOYVFJVTSERNV-UHFFFAOYSA-N -1 1 346.386 3.698 20 30 EHEDMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1 ZINC000451110462 1025544839 /nfs/dbraw/zinc/54/48/39/1025544839.db2.gz QARJUPIIHXLGEX-UHFFFAOYSA-N -1 1 328.437 3.851 20 30 EHEDMM N#CCCCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451163091 1025623722 /nfs/dbraw/zinc/62/37/22/1025623722.db2.gz BVAVPJXHSKGDPP-UHFFFAOYSA-N -1 1 328.846 3.527 20 30 EHEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc([O-])cc1F ZINC000436640194 1025989296 /nfs/dbraw/zinc/98/92/96/1025989296.db2.gz HGAGTNGUDQMQQU-UHFFFAOYSA-N -1 1 331.391 3.527 20 30 EHEDMM C=CCOc1cc(OC)ccc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000155667502 1029604633 /nfs/dbraw/zinc/60/46/33/1029604633.db2.gz KRLJZILBTWFLRB-CQSZACIVSA-N -1 1 328.393 3.515 20 30 EHEDMM C#Cc1cccc(NC(=O)Cn2c(-c3cccc(C)c3)n[n-]c2=S)c1 ZINC000022409050 1029863920 /nfs/dbraw/zinc/86/39/20/1029863920.db2.gz VGERLHMRZFSRKZ-UHFFFAOYSA-N -1 1 348.431 3.536 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2Cc2ccccc2F)c1 ZINC000593829738 1034278249 /nfs/dbraw/zinc/27/82/49/1034278249.db2.gz VYGLXDVHVAJJOE-KRWDZBQOSA-N -1 1 338.382 3.640 20 30 EHEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)cc1 ZINC000604458692 1034393524 /nfs/dbraw/zinc/39/35/24/1034393524.db2.gz UKODESGXHYEEOT-UHFFFAOYSA-N -1 1 348.318 3.839 20 30 EHEDMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055548978 1035611513 /nfs/dbraw/zinc/61/15/13/1035611513.db2.gz CPRMJKFDRZVGND-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM CC[C@@H](C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000589169520 1036268611 /nfs/dbraw/zinc/26/86/11/1036268611.db2.gz XUKBQORPFOCUFN-XIKOKIGWSA-N -1 1 348.406 3.657 20 30 EHEDMM CCCCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475811516 1036299214 /nfs/dbraw/zinc/29/92/14/1036299214.db2.gz LCGCDXNINOSOMQ-UHFFFAOYSA-N -1 1 328.437 3.896 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2CCc2ccccc2)c1 ZINC000589195507 1036302227 /nfs/dbraw/zinc/30/22/27/1036302227.db2.gz BVQSOWJHOOSZDY-IBGZPJMESA-N -1 1 334.419 3.891 20 30 EHEDMM N#Cc1ccc(C(=O)N(CCc2ccccc2)C2CCCC2)cc1[O-] ZINC000191176931 1036697600 /nfs/dbraw/zinc/69/76/00/1036697600.db2.gz YHHGEFHYVDFNPV-UHFFFAOYSA-N -1 1 334.419 3.891 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000590882801 1037113361 /nfs/dbraw/zinc/11/33/61/1037113361.db2.gz YGVPZNYSEGWTPI-GOSISDBHSA-N -1 1 346.390 3.508 20 30 EHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000462104835 1038752612 /nfs/dbraw/zinc/75/26/12/1038752612.db2.gz UNQSKJQBJTXONW-UHFFFAOYSA-N -1 1 349.843 3.834 20 30 EHEDMM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000908654610 1040560261 /nfs/dbraw/zinc/56/02/61/1040560261.db2.gz JFVKDXGZQMLQIX-ZDUSSCGKSA-N -1 1 341.329 3.551 20 30 EHEDMM O=C(CCc1nc2ccccc2s1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029388774 1040568283 /nfs/dbraw/zinc/56/82/83/1040568283.db2.gz HCCLTRHLDVCWLC-UHFFFAOYSA-N -1 1 341.318 3.654 20 30 EHEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(-c3ccccc3C)c2)c(=O)o1 ZINC000105356818 1042851801 /nfs/dbraw/zinc/85/18/01/1042851801.db2.gz OGNXXFFHDFTKCJ-ZJVMWOEPSA-N -1 1 346.382 3.890 20 30 EHEDMM Cc1cc(C#N)ccc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000185986515 1127219447 /nfs/dbraw/zinc/21/94/47/1127219447.db2.gz JKSJUQJMVNAPHD-UHFFFAOYSA-N -1 1 341.436 3.536 20 30 EHEDMM N#CC(=C([O-])c1cc(Br)cs1)c1nc2ccccc2[nH]1 ZINC000194585533 1127462697 /nfs/dbraw/zinc/46/26/97/1127462697.db2.gz XHDPIZGVYISKMA-VIFPVBQESA-N -1 1 346.209 3.877 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000007056081 1128845161 /nfs/dbraw/zinc/84/51/61/1128845161.db2.gz PKXLXIFWAKXROC-UHFFFAOYSA-N -1 1 327.192 3.666 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1Cl ZINC000194156469 1121786914 /nfs/dbraw/zinc/78/69/14/1121786914.db2.gz CGZGQRGKMKBZDM-UHFFFAOYSA-N -1 1 349.824 3.622 20 30 EHEDMM CCOc1ccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cc1OC ZINC000915993365 1122014376 /nfs/dbraw/zinc/01/43/76/1122014376.db2.gz OHJHGJQDJGIPFU-RQZCQDPDSA-N -1 1 326.348 3.724 20 30 EHEDMM CC(C)CCN(CCC#N)C(=O)c1ccc(Br)c([O-])c1 ZINC000152637637 1123337859 /nfs/dbraw/zinc/33/78/59/1123337859.db2.gz JQFCINYHDPOBNK-UHFFFAOYSA-N -1 1 339.233 3.557 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000610123840 1123737182 /nfs/dbraw/zinc/73/71/82/1123737182.db2.gz ILLQQJYLZFMNDK-UHFFFAOYSA-N -1 1 342.420 3.622 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)c1 ZINC000616634505 1124020442 /nfs/dbraw/zinc/02/04/42/1124020442.db2.gz RFAXMMMMJSLKFM-UHFFFAOYSA-N -1 1 348.324 3.859 20 30 EHEDMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619462255 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20 30 EHEDMM Cc1n[nH]c(C)c1-c1ccccc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001190165255 1134666230 /nfs/dbraw/zinc/66/62/30/1134666230.db2.gz FRIUSLNJSYRGMI-UHFFFAOYSA-N -1 1 332.363 3.523 20 30 EHEDMM COc1ccccc1-c1ncc(/C=C2/Cc3cc([O-])ccc3C2=O)cn1 ZINC000792889086 1134814148 /nfs/dbraw/zinc/81/41/48/1134814148.db2.gz CWIQPPKZOJFKJG-NVNXTCNLSA-N -1 1 344.370 3.680 20 30 EHEDMM COc1c(Cl)c(Cl)sc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001194556617 1135285747 /nfs/dbraw/zinc/28/57/47/1135285747.db2.gz JIPZBZMUPJBRDB-UHFFFAOYSA-N -1 1 343.191 3.893 20 30 EHEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1C(F)(F)F ZINC000809624553 1135862170 /nfs/dbraw/zinc/86/21/70/1135862170.db2.gz NUBKGIXBHNIPIX-JTQLQIEISA-N -1 1 334.297 3.774 20 30 EHEDMM N#Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(OC(F)(F)F)c1 ZINC001201221470 1136000014 /nfs/dbraw/zinc/00/00/14/1136000014.db2.gz CAQZIFBFJZLKJP-UHFFFAOYSA-N -1 1 339.229 3.814 20 30 EHEDMM CCc1ccc2c(c1)C(=NN=c1[n-]nc(-c3ccccc3)s1)C(=O)N2 ZINC000814947088 1136530016 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O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2ccccc2c1 ZINC000822922076 606388151 /nfs/dbraw/zinc/38/81/51/606388151.db2.gz CLBBDTRJCQVZLO-CLFYSBASSA-N -1 1 332.388 3.978 20 30 EHEDMM N#CC1(c2ccc(CNCc3ccc(C(=O)[O-])c(C4CC4)n3)cc2)CC1 ZINC000594689060 974989510 /nfs/dbraw/zinc/98/95/10/974989510.db2.gz AMQHLOWMETWVJQ-UHFFFAOYSA-N -1 1 347.418 3.502 20 30 EHEDMM CC[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cc(F)ccc1F ZINC001595276035 980298527 /nfs/dbraw/zinc/29/85/27/980298527.db2.gz AYCHIAXJBXASHB-IRXDYDNUSA-N -1 1 330.334 3.703 20 30 EHEDMM Cc1cc(C)cc(C2=CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000189088080 1016426934 /nfs/dbraw/zinc/42/69/34/1016426934.db2.gz KLTKFAPAGFTJBO-UHFFFAOYSA-N -1 1 332.403 3.810 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000614357744 1018846593 /nfs/dbraw/zinc/84/65/93/1018846593.db2.gz RJVMQCFOWOFHQF-KRWDZBQOSA-N -1 1 326.783 3.798 20 30 EHEDMM O=C1c2cccc(Br)c2OC/C1=C\c1ccc([O-])c(F)c1 ZINC000755589611 1032803932 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N#Cc1cc([O-])cc(C(=O)Nc2ccc(Oc3ccccc3F)nc2)c1 ZINC000618882698 1025710916 /nfs/dbraw/zinc/71/09/16/1025710916.db2.gz AZZPVUSPRCNUSM-UHFFFAOYSA-N -1 1 349.321 3.843 20 30 EHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(OCC(C)C)c1 ZINC000525369161 1029815915 /nfs/dbraw/zinc/81/59/15/1029815915.db2.gz PSGYISCJUBNSID-UHFFFAOYSA-N -1 1 344.436 3.702 20 30 EHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)c(Cl)c2)n1 ZINC000348522772 1030345503 /nfs/dbraw/zinc/34/55/03/1030345503.db2.gz ZMWCFRVVPNRVPX-NSHDSACASA-N -1 1 348.811 3.772 20 30 EHEDMM CCCn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C1CC1 ZINC000161888724 1030771997 /nfs/dbraw/zinc/77/19/97/1030771997.db2.gz OSPFSYQMISIXLB-AWEZNQCLSA-N -1 1 347.422 3.547 20 30 EHEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000551019275 1030925705 /nfs/dbraw/zinc/92/57/05/1030925705.db2.gz CUQQLPHRBGCMON-UHFFFAOYSA-N -1 1 332.828 3.620 20 30 EHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000179025484 1031433734 /nfs/dbraw/zinc/43/37/34/1031433734.db2.gz NPTSZDIPOBMLCQ-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM C[C@@H]1SCCN(C(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccccc1 ZINC000188438130 1034462121 /nfs/dbraw/zinc/46/21/21/1034462121.db2.gz DQIWASRCHHHZTM-SCLBCKFNSA-N -1 1 338.432 3.583 20 30 EHEDMM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188432040 1034463103 /nfs/dbraw/zinc/46/31/03/1034463103.db2.gz SKXJSEWZGSSXDO-ZDUSSCGKSA-N -1 1 348.406 3.685 20 30 EHEDMM COc1ccc2c(c1)O/C(=C\c1cc(Cl)c([O-])c(OC)c1)C2=O ZINC000177404142 1035098008 /nfs/dbraw/zinc/09/80/08/1035098008.db2.gz YBJGEAJTJBTRBC-CHHVJCJISA-N -1 1 332.739 3.679 20 30 EHEDMM CC(C)c1ccc(O[C@@H](C)CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000588167393 1035742108 /nfs/dbraw/zinc/74/21/08/1035742108.db2.gz GVNCMJIYVSFWGA-AWEZNQCLSA-N -1 1 338.407 3.585 20 30 EHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2 ZINC000475810873 1036264821 /nfs/dbraw/zinc/26/48/21/1036264821.db2.gz NQXYKMRXHJIJEA-UHFFFAOYSA-N -1 1 348.427 3.805 20 30 EHEDMM CCCN(C(=O)c1cc([O-])cc(C#N)c1)[C@H](C)c1ccccc1OC ZINC000589173273 1036273718 /nfs/dbraw/zinc/27/37/18/1036273718.db2.gz QLUVHOQONVOJNC-CQSZACIVSA-N -1 1 338.407 3.886 20 30 EHEDMM CC(C)(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000589188642 1036297239 /nfs/dbraw/zinc/29/72/39/1036297239.db2.gz BIWSNXMMBBTVRW-KRWDZBQOSA-N -1 1 326.371 3.920 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N(CCc2ccccc2)C2CCCC2)c1 ZINC000589189927 1036301632 /nfs/dbraw/zinc/30/16/32/1036301632.db2.gz ZKWXSALWFMNPGL-UHFFFAOYSA-N -1 1 334.419 3.891 20 30 EHEDMM N#Cc1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)cc1[O-] ZINC000442957077 1036774590 /nfs/dbraw/zinc/77/45/90/1036774590.db2.gz RJVZLOXDAHJINH-UHFFFAOYSA-N -1 1 340.810 3.769 20 30 EHEDMM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000443298381 1037711656 /nfs/dbraw/zinc/71/16/56/1037711656.db2.gz PTIANNYBIKOBOX-OAQYLSRUSA-N -1 1 334.419 3.749 20 30 EHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000226136563 1037753171 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C=CC(C)(C)CCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001671316398 1120240781 /nfs/dbraw/zinc/24/07/81/1120240781.db2.gz BUXDQUKURTXKPC-UHFFFAOYSA-N -1 1 325.405 3.843 20 30 EHEDMM C#CCOc1cccc(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000762598139 1121375697 /nfs/dbraw/zinc/37/56/97/1121375697.db2.gz NTUGWXFEIKAKJC-UHFFFAOYSA-N -1 1 345.782 3.709 20 30 EHEDMM CC#CCCCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000556847422 1123148074 /nfs/dbraw/zinc/14/80/74/1123148074.db2.gz CVEUYPWFOFHSBG-UHFFFAOYSA-N -1 1 330.609 3.940 20 30 EHEDMM Cc1ccccc1C1N=NC(=S)N1N=Cc1ccc([O-])c(Cl)c1 ZINC000921256848 1123495036 /nfs/dbraw/zinc/49/50/36/1123495036.db2.gz BIEXRMFPRMMNCJ-UHFFFAOYSA-N -1 1 344.827 3.783 20 30 EHEDMM CCCN1C(=O)C(=NN=Cc2ccc([O-])c(Cl)c2)c2ccccc21 ZINC000921255876 1123495157 /nfs/dbraw/zinc/49/51/57/1123495157.db2.gz BUCNJLKXOPIHHO-UHFFFAOYSA-N -1 1 341.798 3.625 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1[O-] ZINC000615461874 1123807498 /nfs/dbraw/zinc/80/74/98/1123807498.db2.gz 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/nfs/dbraw/zinc/05/06/57/1024050657.db2.gz JYFBALXGKDSEKP-UHFFFAOYSA-N -1 1 343.452 3.599 20 30 EHEDMM N#Cc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1[O-] ZINC000442856740 1025553425 /nfs/dbraw/zinc/55/34/25/1025553425.db2.gz RRKDBOYYUPFYIP-UHFFFAOYSA-N -1 1 342.398 3.826 20 30 EHEDMM COc1cccc(C=C2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000443056689 1025693001 /nfs/dbraw/zinc/69/30/01/1025693001.db2.gz ZFHKOOZLLOEJPW-UHFFFAOYSA-N -1 1 348.402 3.592 20 30 EHEDMM C=CCC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000436504914 1025796423 /nfs/dbraw/zinc/79/64/23/1025796423.db2.gz LEHSFKQCKVFLKG-INIZCTEOSA-N -1 1 339.391 3.867 20 30 EHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000443415036 1026005458 /nfs/dbraw/zinc/00/54/58/1026005458.db2.gz DOXXPKZQCLNUAS-UHFFFAOYSA-N -1 1 335.400 3.754 20 30 EHEDMM C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000421914628 1028909101 /nfs/dbraw/zinc/90/91/01/1028909101.db2.gz HCBORPJTTKKMAJ-FQEVSTJZSA-N -1 1 338.382 3.640 20 30 EHEDMM C=CCOCCCc1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000278157090 1029397588 /nfs/dbraw/zinc/39/75/88/1029397588.db2.gz VIFLUKMJNUSDSX-UHFFFAOYSA-N -1 1 338.791 3.630 20 30 EHEDMM CCOCc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)ccc1OC ZINC000255577087 1030466956 /nfs/dbraw/zinc/46/69/56/1030466956.db2.gz LMANMRLOXBFOFA-NVMNQCDNSA-N -1 1 326.348 3.554 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1Cl ZINC000168597782 1031504802 /nfs/dbraw/zinc/50/48/02/1031504802.db2.gz QXABXLVQUZSMTJ-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)ccc1F ZINC000105590327 1033485232 /nfs/dbraw/zinc/48/52/32/1033485232.db2.gz RFRJPZKCTMSCBB-UHFFFAOYSA-N -1 1 332.400 3.736 20 30 EHEDMM N#Cc1cccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)c1 ZINC000059270170 1033518893 /nfs/dbraw/zinc/51/88/93/1033518893.db2.gz DDLDSTZRCRPPHD-GQCTYLIASA-N -1 1 328.165 3.922 20 30 EHEDMM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188226569 1034034118 /nfs/dbraw/zinc/03/41/18/1034034118.db2.gz CNRLHLWQVNJOHA-LLVKDONJSA-N -1 1 337.404 3.707 20 30 EHEDMM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589180748 1036294619 /nfs/dbraw/zinc/29/46/19/1036294619.db2.gz UQNXDGQNIBZINA-LLVKDONJSA-N -1 1 348.324 3.644 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)cc1[O-] ZINC000443290820 1037641989 /nfs/dbraw/zinc/64/19/89/1037641989.db2.gz ZGVZKFNLZKIVPY-UHFFFAOYSA-N -1 1 344.370 3.722 20 30 EHEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(OCc2cccc(C)c2)c1 ZINC000416960625 1039259125 /nfs/dbraw/zinc/25/91/25/1039259125.db2.gz RDSRGHYCUKSRAB-GOSISDBHSA-N -1 1 344.436 3.618 20 30 EHEDMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C#Cc2ccccn2)c1 ZINC000479307047 1040111950 /nfs/dbraw/zinc/11/19/50/1040111950.db2.gz MFNXYPOFEVYJMC-UHFFFAOYSA-N -1 1 348.427 3.591 20 30 EHEDMM Cc1coc(-c2cc(NC(=O)c3cc([O-])cc(C#N)c3)ccc2C)n1 ZINC000614301521 1040972269 /nfs/dbraw/zinc/97/22/69/1040972269.db2.gz YLDWMIGZXPTQHG-UHFFFAOYSA-N -1 1 333.347 3.788 20 30 EHEDMM N#Cc1ccsc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000110768899 1128804282 /nfs/dbraw/zinc/80/42/82/1128804282.db2.gz UFYAZTQGCCTGDX-UHFFFAOYSA-N -1 1 344.446 3.875 20 30 EHEDMM Cc1cc(O)cc2c1C(=O)/C(=C/c1ccc([O-])c(Br)c1)O2 ZINC000915988677 1122012406 /nfs/dbraw/zinc/01/24/06/1122012406.db2.gz ATVWBYXZDCQQPE-NSIKDUERSA-N -1 1 347.164 3.785 20 30 EHEDMM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000130521314 1122602656 /nfs/dbraw/zinc/60/26/56/1122602656.db2.gz OLPLYBDUVPWVJN-QMTHXVAHSA-N -1 1 347.267 3.744 20 30 EHEDMM CC(C)CCOc1ccccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000616489421 1124011677 /nfs/dbraw/zinc/01/16/77/1124011677.db2.gz GJBCUJXKGLMEAZ-UHFFFAOYSA-N -1 1 338.407 3.619 20 30 EHEDMM N#CCc1ccc(COC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000750816560 1124974409 /nfs/dbraw/zinc/97/44/09/1124974409.db2.gz LSZYKKWQHYEDMJ-UHFFFAOYSA-N -1 1 346.180 3.578 20 30 EHEDMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619462954 1125350521 /nfs/dbraw/zinc/35/05/21/1125350521.db2.gz HKLVQNVATINEKM-UHFFFAOYSA-N -1 1 328.437 3.678 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619462627 1125350598 /nfs/dbraw/zinc/35/05/98/1125350598.db2.gz UHTGWJPBKCXEIU-UHFFFAOYSA-N -1 1 342.420 3.508 20 30 EHEDMM COc1ccc(N(CCC(C)C)C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000619451558 1125351617 /nfs/dbraw/zinc/35/16/17/1125351617.db2.gz JIXOVIZBFMYSJY-UHFFFAOYSA-N -1 1 338.407 3.965 20 30 EHEDMM CC(C)(C)CN(CCC#N)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619582316 1125367943 /nfs/dbraw/zinc/36/79/43/1125367943.db2.gz QEFRFSKECHXVHI-UHFFFAOYSA-N -1 1 328.334 3.813 20 30 EHEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1Cl ZINC000010514808 1129225652 /nfs/dbraw/zinc/22/56/52/1129225652.db2.gz KMBIUQAMPXBARU-UHFFFAOYSA-N -1 1 327.192 3.666 20 30 EHEDMM COc1ccc([C@@H]2CCCCC2N=Nc2nc(C)cc(=O)[n-]2)cc1F ZINC000732709486 1130950438 /nfs/dbraw/zinc/95/04/38/1130950438.db2.gz BNTGYJFGSFJNKC-ZDUSSCGKSA-N -1 1 344.390 3.764 20 30 EHEDMM Cc1cc(CN=Nc2ccc(C(=O)[O-])cc2)c(C)n1-c1nccs1 ZINC000744516610 1132115535 /nfs/dbraw/zinc/11/55/35/1132115535.db2.gz QDRUSHQRIIDRNA-UHFFFAOYSA-N -1 1 340.408 3.695 20 30 EHEDMM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179659550 1133267786 /nfs/dbraw/zinc/26/77/86/1133267786.db2.gz BNXWKWKVFGOSTR-UHFFFAOYSA-N -1 1 332.762 3.854 20 30 EHEDMM N#Cc1ccc(NC(=O)/C=C/c2c(F)ccc(F)c2Cl)c([O-])c1 ZINC001179771344 1133277193 /nfs/dbraw/zinc/27/71/93/1133277193.db2.gz FMTHIKAFQYRMCK-QHHAFSJGSA-N -1 1 334.709 3.847 20 30 EHEDMM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)o1 ZINC000774053101 1133595533 /nfs/dbraw/zinc/59/55/33/1133595533.db2.gz NSSAFQWHHQARQQ-OAHLLOKOSA-N -1 1 346.342 3.597 20 30 EHEDMM O=C(COc1cccc(Cl)c1)N([O-])Cc1ccccc1Cl ZINC001184283866 1133923599 /nfs/dbraw/zinc/92/35/99/1133923599.db2.gz UGBAECKLCNSRPR-UHFFFAOYSA-N -1 1 326.179 3.790 20 30 EHEDMM C[C@@H](Oc1cccc(C=NN=c2[nH]c3ccccc3s2)c1)C(=O)[O-] ZINC000746676343 1133993010 /nfs/dbraw/zinc/99/30/10/1133993010.db2.gz CBESZNAPHFFLLW-LLVKDONJSA-N -1 1 341.392 3.594 20 30 EHEDMM C[C@@H](Oc1cccc(C=[NH+][N-]c2nc3ccccc3s2)c1)C(=O)[O-] ZINC000746676343 1133993015 /nfs/dbraw/zinc/99/30/15/1133993015.db2.gz CBESZNAPHFFLLW-LLVKDONJSA-N -1 1 341.392 3.594 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC001188012597 1134415763 /nfs/dbraw/zinc/41/57/63/1134415763.db2.gz DANKAQUVNZQBBH-UHFFFAOYSA-N -1 1 327.446 3.560 20 30 EHEDMM C=C(C)C[N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC001188195341 1134439244 /nfs/dbraw/zinc/43/92/44/1134439244.db2.gz BFTRMEZDWNPHQB-UHFFFAOYSA-N -1 1 342.848 3.633 20 30 EHEDMM Cc1cccc([O-])c1C(=O)Nc1ccc(C#N)cc1OC(F)(F)F ZINC001188649006 1134487078 /nfs/dbraw/zinc/48/70/78/1134487078.db2.gz PLPVDRQMTNTWAB-UHFFFAOYSA-N -1 1 336.269 3.723 20 30 EHEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1cn2ccccc2n1 ZINC000791427503 1134556588 /nfs/dbraw/zinc/55/65/88/1134556588.db2.gz HWAPGZFPJYIMEL-FNORWQNLSA-N -1 1 343.180 3.699 20 30 EHEDMM N#Cc1c([O-])csc1NC(=O)Nc1ccccc1OC(F)(F)F ZINC001190653734 1134733536 /nfs/dbraw/zinc/73/35/36/1134733536.db2.gz NZSDUWXOWWFAAC-UHFFFAOYSA-N -1 1 343.286 3.868 20 30 EHEDMM N#Cc1ccc(NC(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)c([O-])c1 ZINC001193021391 1135090569 /nfs/dbraw/zinc/09/05/69/1135090569.db2.gz PJNLZSQWXBZEGE-UHFFFAOYSA-N -1 1 346.268 3.697 20 30 EHEDMM N#Cc1cc(F)c(NC(=O)c2ccc(O)c([O-])c2Cl)c(Cl)c1 ZINC001193230641 1135120006 /nfs/dbraw/zinc/12/00/06/1135120006.db2.gz ZAWODWYJJRXHRQ-UHFFFAOYSA-N -1 1 341.125 3.668 20 30 EHEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2)c1 ZINC001195159700 1135384804 /nfs/dbraw/zinc/38/48/04/1135384804.db2.gz SYKUGZIPNLDLCK-UHFFFAOYSA-N -1 1 336.363 3.761 20 30 EHEDMM CCOc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)cc1F ZINC000806558789 1135459491 /nfs/dbraw/zinc/45/94/91/1135459491.db2.gz MCLVWKHKMNZNQO-CLTKARDFSA-N -1 1 330.311 3.524 20 30 EHEDMM N#Cc1ccc(NC(=O)c2c(Cl)cc(Cl)nc2Cl)c([O-])c1 ZINC001195919257 1135491087 /nfs/dbraw/zinc/49/10/87/1135491087.db2.gz PPHSJMNLDBYEEZ-UHFFFAOYSA-N -1 1 342.569 3.871 20 30 EHEDMM N#Cc1cccc([O-])c1NC(=S)Nc1cccc(Br)c1 ZINC001197006107 1135639358 /nfs/dbraw/zinc/63/93/58/1135639358.db2.gz FXLRJTCSFRCTAO-UHFFFAOYSA-N -1 1 348.225 3.835 20 30 EHEDMM CCCCCCCCCCS(=O)(=O)[N-]c1cccc(O)c1O ZINC001201836213 1136068896 /nfs/dbraw/zinc/06/88/96/1136068896.db2.gz SWGAVRMLQOTICY-UHFFFAOYSA-N -1 1 329.462 3.980 20 30 EHEDMM COc1cc(/C=C2\Cc3ccc(C#N)cc3C2=O)cc(Cl)c1[O-] ZINC000811695537 1136125707 /nfs/dbraw/zinc/12/57/07/1136125707.db2.gz ITTVVPJHYBGGIC-YIXHJXPBSA-N -1 1 325.751 3.748 20 30 EHEDMM CCC(=NNc1ccc(C(=O)[O-])cc1OC)c1ccc(F)cc1F ZINC000814886439 1136520301 /nfs/dbraw/zinc/52/03/01/1136520301.db2.gz BYZRWDRDCLOBIC-UHFFFAOYSA-N -1 1 334.322 3.898 20 30 EHEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)oc2C)cc1 ZINC000815909892 1136646955 /nfs/dbraw/zinc/64/69/55/1136646955.db2.gz KTEMYGJGEKUNIY-ZBEGNZNMSA-N -1 1 339.395 3.766 20 30 EHEDMM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ncoc1C1CC1 ZINC000815907450 1136647073 /nfs/dbraw/zinc/64/70/73/1136647073.db2.gz ATSJLEYSEPPCCN-OAHLLOKOSA-N -1 1 345.358 3.666 20 30 EHEDMM N#C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001144438126 1137293824 /nfs/dbraw/zinc/29/38/24/1137293824.db2.gz UITILZZBVGIEOM-ZDUSSCGKSA-N -1 1 339.153 3.833 20 30 EHEDMM C[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(C#N)c1[O-] ZINC000866321804 1137345458 /nfs/dbraw/zinc/34/54/58/1137345458.db2.gz QPJBRJXJXHLZOI-KSSFIOAISA-N -1 1 338.407 3.995 20 30 EHEDMM Cc1ccc(N[C@H](C)c2cccc(C#N)c2[O-])cc1N1CCOC1=O ZINC000866323990 1137345762 /nfs/dbraw/zinc/34/57/62/1137345762.db2.gz DJMFGHPNDJKSKK-CYBMUJFWSA-N -1 1 337.379 3.702 20 30 EHEDMM C=C[C@H](C)O[N-]C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000846545926 1137354766 /nfs/dbraw/zinc/35/47/66/1137354766.db2.gz KDLZQTQXKIMYFQ-OFQRWUPVSA-N -1 1 348.443 3.511 20 30 EHEDMM CC(=NNc1cccc(F)n1)c1cc(Br)c(F)cc1[O-] ZINC000795006399 1137402813 /nfs/dbraw/zinc/40/28/13/1137402813.db2.gz HAVAKKFWKJXWHL-UHFFFAOYSA-N -1 1 342.143 3.664 20 30 EHEDMM CC(N=Nc1cccc(F)n1)c1cc(Br)c(F)cc1[O-] ZINC000795006399 1137402815 /nfs/dbraw/zinc/40/28/15/1137402815.db2.gz HAVAKKFWKJXWHL-UHFFFAOYSA-N -1 1 342.143 3.664 20 30 EHEDMM COc1ccc(F)c(C(=O)[N-]c2sc3ccccc3c2C#N)n1 ZINC001147767077 1137412054 /nfs/dbraw/zinc/41/20/54/1137412054.db2.gz GYRBKAXZTFTBHK-UHFFFAOYSA-N -1 1 327.340 3.568 20 30 EHEDMM COc1cc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)c(OC)cc1O ZINC000122482378 1137443810 /nfs/dbraw/zinc/44/38/10/1137443810.db2.gz YHYIVYKQHNFQAA-HWKANZROSA-N -1 1 334.755 3.665 20 30 EHEDMM C[C@@H](CCc1ccccc1F)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000079720822 1138157810 /nfs/dbraw/zinc/15/78/10/1138157810.db2.gz OFZPXKVYAQUFBD-QMMMGPOBSA-N -1 1 330.285 3.820 20 30 EHEDMM N#CC(C(=O)c1ccc(C(=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000821320705 598160101 /nfs/dbraw/zinc/16/01/01/598160101.db2.gz TUEMAWSPAZGWFD-OAHLLOKOSA-N -1 1 348.383 3.998 20 30 EHEDMM N#CC(C(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2s1 ZINC000739075584 600056554 /nfs/dbraw/zinc/05/65/54/600056554.db2.gz TXRDVNQUGIJIPY-LBPRGKRZSA-N -1 1 337.360 3.876 20 30 EHEDMM C=CCOc1ccccc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736113735 600436258 /nfs/dbraw/zinc/43/62/58/600436258.db2.gz CBCQHGOJMMRYBR-KRWDZBQOSA-N -1 1 331.799 3.820 20 30 EHEDMM N#Cc1cccc([C@H](NCc2ccc(Cl)cc2Cl)C(=O)[O-])c1 ZINC000833076804 601298245 /nfs/dbraw/zinc/29/82/45/601298245.db2.gz ZFTDGKSZLDHAHV-HNNXBMFYSA-N -1 1 335.190 3.781 20 30 EHEDMM C#CCN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CCCCC1 ZINC000833364234 605205886 /nfs/dbraw/zinc/20/58/86/605205886.db2.gz HSYJALXXUSMTIO-UHFFFAOYSA-N -1 1 338.407 3.808 20 30 EHEDMM CC(C)Oc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820155333 606388907 /nfs/dbraw/zinc/38/89/07/606388907.db2.gz OQFOIQKPWGMZLS-CLFYSBASSA-N -1 1 340.408 3.612 20 30 EHEDMM CC(C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000824324991 608092749 /nfs/dbraw/zinc/09/27/49/608092749.db2.gz XSXKVWSIFNUHMR-YVMONPNESA-N -1 1 340.408 3.612 20 30 EHEDMM CC(C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000824324991 608092750 /nfs/dbraw/zinc/09/27/50/608092750.db2.gz XSXKVWSIFNUHMR-YVMONPNESA-N -1 1 340.408 3.612 20 30 EHEDMM N#Cc1cc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(O)cc1F ZINC001211489857 1014441106 /nfs/dbraw/zinc/44/11/06/1014441106.db2.gz KCTTWZKODBLGOU-UHFFFAOYSA-N -1 1 340.232 3.864 20 30 EHEDMM C#CCN(Cc1csc(C(=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC001588471662 983507167 /nfs/dbraw/zinc/50/71/67/983507167.db2.gz WEJLVAWVGSWGPS-QGZVFWFLSA-N -1 1 325.433 3.959 20 30 EHEDMM C=C(C)CN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1OC ZINC001588567641 983647327 /nfs/dbraw/zinc/64/73/27/983647327.db2.gz PLVCTAPFTVHSMH-UHFFFAOYSA-N -1 1 325.408 3.972 20 30 EHEDMM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(Cl)ccc1F ZINC001599841042 988830862 /nfs/dbraw/zinc/83/08/62/988830862.db2.gz HPSGGSVJZCCWDP-QLJPJBMISA-N -1 1 332.762 3.827 20 30 EHEDMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC001593190812 994127990 /nfs/dbraw/zinc/12/79/90/994127990.db2.gz WRDONPGVESSWSR-BZNIZROVSA-N -1 1 346.333 3.636 20 30 EHEDMM O=C(/C=C\c1ccc(Oc2cnccn2)cc1)c1cc(O)ccc1[O-] ZINC000255046748 1015999101 /nfs/dbraw/zinc/99/91/01/1015999101.db2.gz RYCGLBVNGVQSDX-CLTKARDFSA-N -1 1 334.331 3.576 20 30 EHEDMM COc1ccc(/C=C/c2ccncc2C#N)c(Br)c1[O-] ZINC000349115336 1016145654 /nfs/dbraw/zinc/14/56/54/1016145654.db2.gz XLHBLINCFGPSFA-NSCUHMNNSA-N -1 1 331.169 3.600 20 30 EHEDMM O=C(/C=C/c1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccc([O-])cc1 ZINC000782881755 1016476381 /nfs/dbraw/zinc/47/63/81/1016476381.db2.gz YVCMFRJVEFRYNG-FPYGCLRLSA-N -1 1 343.745 3.662 20 30 EHEDMM Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000748147344 1018643350 /nfs/dbraw/zinc/64/33/50/1018643350.db2.gz NFCBTQHSLOOXOA-NTMALXAHSA-N -1 1 349.346 3.895 20 30 EHEDMM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614368191 1018876945 /nfs/dbraw/zinc/87/69/45/1018876945.db2.gz CLVALPRMWFINKA-SNVBAGLBSA-N -1 1 349.217 3.932 20 30 EHEDMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593190870 1032801782 /nfs/dbraw/zinc/80/17/82/1032801782.db2.gz QHCFYRGNISSTHL-UHFFFAOYSA-N -1 1 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NBZWUEIPXHBBCU-UHFFFAOYSA-N -1 1 340.770 3.539 20 30 EHEDMM N#Cc1ccc(C(=O)NC2CC(c3ccccc3Cl)C2)cc1[O-] ZINC000341221621 1037785083 /nfs/dbraw/zinc/78/50/83/1037785083.db2.gz SRBHXMAELZNVQA-UHFFFAOYSA-N -1 1 326.783 3.593 20 30 EHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000462100797 1038751732 /nfs/dbraw/zinc/75/17/32/1038751732.db2.gz IIHDUONXYPHQTF-UHFFFAOYSA-N -1 1 343.452 3.798 20 30 EHEDMM N#Cc1c(F)cccc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000488257281 1039013182 /nfs/dbraw/zinc/01/31/82/1039013182.db2.gz ZSKPPSHTSKLQDL-UHFFFAOYSA-N -1 1 329.278 3.504 20 30 EHEDMM C=CCNC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000195705323 1039082858 /nfs/dbraw/zinc/08/28/58/1039082858.db2.gz LVWHRFKMADDRCK-UHFFFAOYSA-N -1 1 346.386 3.714 20 30 EHEDMM N#C[C@]1(C(=O)Nc2cccc([O-])c2Br)CC12CCCC2 ZINC000908706528 1040602468 /nfs/dbraw/zinc/60/24/68/1040602468.db2.gz DDUHZWRYXGHNBY-HNNXBMFYSA-N -1 1 335.201 3.567 20 30 EHEDMM N#CC1(CC(=O)Nc2cccc([O-])c2Br)CCCCC1 ZINC000908711401 1040608011 /nfs/dbraw/zinc/60/80/11/1040608011.db2.gz YEQXAPLNBMPRKC-UHFFFAOYSA-N -1 1 337.217 3.957 20 30 EHEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc2c(s1)CCC2 ZINC000756899128 1042848943 /nfs/dbraw/zinc/84/89/43/1042848943.db2.gz RBIJOKANIDKYHR-UHFFFAOYSA-N -1 1 330.409 3.780 20 30 EHEDMM Cc1ccc2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)ccc2c1 ZINC000344627078 1044211172 /nfs/dbraw/zinc/21/11/72/1044211172.db2.gz CGWGJKZVLOUZNX-OAHLLOKOSA-N -1 1 340.386 3.920 20 30 EHEDMM CC(=O)c1ccc(C#N)c(NCc2cccc(Br)c2[O-])c1 ZINC000764933456 1127555425 /nfs/dbraw/zinc/55/54/25/1127555425.db2.gz DCINMEXOAVDWBF-UHFFFAOYSA-N -1 1 345.196 3.841 20 30 EHEDMM O=C(/C=C/c1ccc(Br)c(F)c1)c1cc(O)ccc1[O-] ZINC000763099913 1121681128 /nfs/dbraw/zinc/68/11/28/1121681128.db2.gz GUNYGGYJHNEATR-GORDUTHDSA-N -1 1 337.144 3.896 20 30 EHEDMM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000918126679 1122758685 /nfs/dbraw/zinc/75/86/85/1122758685.db2.gz DTPKYBCZRKLAAV-INIZCTEOSA-N -1 1 346.346 3.831 20 30 EHEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(Br)cc1 ZINC000920947719 1123441902 /nfs/dbraw/zinc/44/19/02/1123441902.db2.gz SGHWMGPRPGXGMF-UHFFFAOYSA-N -1 1 333.185 3.983 20 30 EHEDMM O=C1c2cccc(F)c2OC/C1=C/c1ccc([O-])c(Br)c1 ZINC000921265896 1123502067 /nfs/dbraw/zinc/50/20/67/1123502067.db2.gz GAKXNSMJABTWAG-POHAHGRESA-N -1 1 349.155 3.953 20 30 EHEDMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000618977791 1125255318 /nfs/dbraw/zinc/25/53/18/1125255318.db2.gz HANKCFACXVWDBH-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC000066587686 1129189722 /nfs/dbraw/zinc/18/97/22/1129189722.db2.gz YBZIGLNBMJPXRE-UHFFFAOYSA-N -1 1 345.420 3.645 20 30 EHEDMM CC(N=Nc1cncc(Cl)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766012228 1129748321 /nfs/dbraw/zinc/74/83/21/1129748321.db2.gz UUVVUKHQCDNIRB-UHFFFAOYSA-N -1 1 331.590 3.979 20 30 EHEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000730995300 1130759049 /nfs/dbraw/zinc/75/90/49/1130759049.db2.gz DMVUBUFMZNFZFE-UHFFFAOYSA-N -1 1 337.400 3.653 20 30 EHEDMM O=c1nc(N=NC2CCCCCCCCCCC2)nc2[nH][n-]cc1-2 ZINC000731154859 1130773805 /nfs/dbraw/zinc/77/38/05/1130773805.db2.gz HHNGFGSMULORBU-UHFFFAOYSA-N -1 1 330.436 3.505 20 30 EHEDMM COc1cc(C)c(C(C)N=Nc2ccc(C(=O)[O-])cc2)cc1OC ZINC000731312294 1130784665 /nfs/dbraw/zinc/78/46/65/1130784665.db2.gz MNMRHVXOUSEMAK-UHFFFAOYSA-N -1 1 328.368 3.547 20 30 EHEDMM O=C1c2cc(F)ccc2OC/C1=C\c1ccc([O-])c(Br)c1 ZINC000731565152 1130812758 /nfs/dbraw/zinc/81/27/58/1130812758.db2.gz GPPXMHPYIMRTIO-BJMVGYQFSA-N -1 1 349.155 3.953 20 30 EHEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(-c3ccc(F)cc3C)o2)n1 ZINC000734297014 1131215906 /nfs/dbraw/zinc/21/59/06/1131215906.db2.gz XTQPIBQNPLTDSZ-UHFFFAOYSA-N -1 1 326.331 3.644 20 30 EHEDMM COc1ccccc1-c1ccc(C=NNc2nc(C)cc(=O)[n-]2)cc1 ZINC000741451496 1131607574 /nfs/dbraw/zinc/60/75/74/1131607574.db2.gz QDJSVLCULHCLJP-UHFFFAOYSA-N -1 1 334.379 3.612 20 30 EHEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1 ZINC000766357642 1132517968 /nfs/dbraw/zinc/51/79/68/1132517968.db2.gz WBRYOROFJXQRPR-UHFFFAOYSA-N -1 1 337.853 3.844 20 30 EHEDMM COc1cc(CCNc2cc(/C=N/[O-])cc(C(F)(F)F)c2)ccn1 ZINC001169227098 1132702541 /nfs/dbraw/zinc/70/25/41/1132702541.db2.gz XILJBQSAORGKQB-LSHDLFTRSA-N -1 1 339.317 3.572 20 30 EHEDMM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc([O-])c(Cl)c2)o1 ZINC000768768060 1133175246 /nfs/dbraw/zinc/17/52/46/1133175246.db2.gz LPTINGVZLXAPEL-UHFFFAOYSA-N -1 1 332.791 3.940 20 30 EHEDMM Cc1cc(CC(=O)Nc2ccc(C#N)cc2[O-])cc(C(F)(F)F)c1 ZINC001182674625 1133714536 /nfs/dbraw/zinc/71/45/36/1133714536.db2.gz RBXALEFPZKAZEJ-UHFFFAOYSA-N -1 1 334.297 3.772 20 30 EHEDMM Cc1cc2[nH]ncc2cc1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000790098186 1134370331 /nfs/dbraw/zinc/37/03/31/1134370331.db2.gz DOIVYBKLYRJRSW-UHFFFAOYSA-N -1 1 330.731 3.889 20 30 EHEDMM C=CCC1(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC001190773137 1134749570 /nfs/dbraw/zinc/74/95/70/1134749570.db2.gz UUIKEWVGVRXTFM-UHFFFAOYSA-N -1 1 340.754 3.604 20 30 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C=CCC(CC=C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000823888508 608346386 /nfs/dbraw/zinc/34/63/86/608346386.db2.gz OXSWOCCXHYTXQY-UHFFFAOYSA-N -1 1 345.472 3.933 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1[O-] ZINC000189957153 1016796553 /nfs/dbraw/zinc/79/65/53/1016796553.db2.gz RLKRECIRJDCKQA-OAHLLOKOSA-N -1 1 349.415 3.851 20 30 EHEDMM O=C(C=Cc1ccc([O-])c(F)c1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000755588025 1032728528 /nfs/dbraw/zinc/72/85/28/1032728528.db2.gz MXCYZEAZZKLNCZ-DAFODLJHSA-N -1 1 327.233 3.547 20 30 EHEDMM N#Cc1cccc(-c2cc(-c3nc(-c4ccc([O-])cc4F)no3)on2)c1 ZINC000436881783 1021334344 /nfs/dbraw/zinc/33/43/44/1021334344.db2.gz YHGUQAZPWKIMBW-UHFFFAOYSA-N -1 1 348.293 3.775 20 30 EHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)ccc1Cl ZINC000477410951 1021592636 /nfs/dbraw/zinc/59/26/36/1021592636.db2.gz ATVVFWBNQGQDCD-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1Cl ZINC000442961057 1025621475 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CC1=Nc2ccccc2C12CCN(C(=O)c1ccc(C#N)c([O-])c1)CC2 ZINC000898244931 1033401427 /nfs/dbraw/zinc/40/14/27/1033401427.db2.gz BQASXQLMBVZLMG-UHFFFAOYSA-N -1 1 345.402 3.544 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC3(CCc4ccccc4C3)CC2)cc1[O-] ZINC000593755097 1033923072 /nfs/dbraw/zinc/92/30/72/1033923072.db2.gz WVXHAERPRDAGQX-UHFFFAOYSA-N -1 1 346.430 3.675 20 30 EHEDMM N#Cc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1[O-] ZINC000188241494 1034082207 /nfs/dbraw/zinc/08/22/07/1034082207.db2.gz KZNYOIHEVYOACR-UHFFFAOYSA-N -1 1 343.386 3.675 20 30 EHEDMM CCSc1ccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188264201 1034241545 /nfs/dbraw/zinc/24/15/45/1034241545.db2.gz ATSHVRUHQDXBID-GFCCVEGCSA-N -1 1 326.421 3.867 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)cc1[O-] ZINC000593830075 1034279803 /nfs/dbraw/zinc/27/98/03/1034279803.db2.gz WUPGZSWYXVGWRJ-QGZVFWFLSA-N -1 1 338.382 3.640 20 30 EHEDMM CCOc1cc(-c2noc(C3(C#N)CC4(CC4)C3)n2)cc(Cl)c1[O-] ZINC000601372424 1034474251 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C[C@@H]1CCCc2ncc(C([O-])=C(C#N)c3nc(C4CC4)cs3)n21 ZINC000651381181 1038648710 /nfs/dbraw/zinc/64/87/10/1038648710.db2.gz SEQVQQIGOXRJCY-ZYHUDNBSSA-N -1 1 326.425 3.604 20 30 EHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000462098228 1038750677 /nfs/dbraw/zinc/75/06/77/1038750677.db2.gz AITLFGAEOFFHEH-UHFFFAOYSA-N -1 1 343.452 3.743 20 30 EHEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1ccnn1C1CCC1 ZINC000899396615 1040440198 /nfs/dbraw/zinc/44/01/98/1040440198.db2.gz FXBAMRFYBNBJDV-ALCCZGGFSA-N -1 1 347.212 3.972 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccccc2Cl)CC2CC2)c1 ZINC000586986069 1041088447 /nfs/dbraw/zinc/08/84/47/1041088447.db2.gz AOUUPKWUWSIOBI-UHFFFAOYSA-N -1 1 340.810 3.970 20 30 EHEDMM N#C[C@]1(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)CC12CCCC2 ZINC000571017098 1041144440 /nfs/dbraw/zinc/14/44/40/1041144440.db2.gz VPATZZCFFWTMMX-INIZCTEOSA-N -1 1 346.843 3.626 20 30 EHEDMM N#CCC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141373287 1042741091 /nfs/dbraw/zinc/74/10/91/1042741091.db2.gz WLKGKVJYYPPXFM-UHFFFAOYSA-N -1 1 343.652 3.934 20 30 EHEDMM COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000006339208 1043203118 /nfs/dbraw/zinc/20/31/18/1043203118.db2.gz AGKFTCOZAUMDKS-AATRIKPKSA-N -1 1 333.727 3.859 20 30 EHEDMM N#Cc1cc(F)c(NCc2cccc(Br)c2[O-])c(F)c1 ZINC000764932919 1127555085 /nfs/dbraw/zinc/55/50/85/1127555085.db2.gz ARLGYOHWFGRJKX-UHFFFAOYSA-N -1 1 339.139 3.917 20 30 EHEDMM Cc1cc(F)c(Br)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000616172245 1128456390 /nfs/dbraw/zinc/45/63/90/1128456390.db2.gz OSQNTFAZDFHYHU-UHFFFAOYSA-N -1 1 349.159 3.726 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3nsnc3c2)n1 ZINC000542782512 1128610365 /nfs/dbraw/zinc/61/03/65/1128610365.db2.gz PUMMPHTUSKUTOI-SNVBAGLBSA-N -1 1 328.422 3.761 20 30 EHEDMM [O-]c1c(Br)cccc1CN=Nc1ncnc2sccc21 ZINC000915954979 1121991734 /nfs/dbraw/zinc/99/17/34/1121991734.db2.gz RYTVUOLIOPTZJT-UHFFFAOYSA-N -1 1 349.213 3.605 20 30 EHEDMM CCn1cc(Br)cc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000170671788 1122573720 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COc1ccc2nc(/C=C3/Oc4cc([O-])ccc4C3=O)sc2c1 ZINC000788732186 1134167121 /nfs/dbraw/zinc/16/71/21/1134167121.db2.gz LUTRLSBGZQISEQ-RIYZIHGNSA-N -1 1 325.345 3.627 20 30 EHEDMM COc1cncc(Cl)c1C(=O)[N-]c1c(C#N)oc2ccccc21 ZINC001195227577 1135396850 /nfs/dbraw/zinc/39/68/50/1135396850.db2.gz NZHJLDGBSKNDDE-UHFFFAOYSA-N -1 1 327.727 3.614 20 30 EHEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C2(CC2)C1 ZINC001196319225 1135545142 /nfs/dbraw/zinc/54/51/42/1135545142.db2.gz QYGOASIJLPVFNA-CQSZACIVSA-N -1 1 332.403 3.945 20 30 EHEDMM N#Cc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1Br ZINC001201230102 1135997450 /nfs/dbraw/zinc/99/74/50/1135997450.db2.gz YFCBLQGLWOKWDU-UHFFFAOYSA-N -1 1 334.129 3.678 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C#N ZINC001201316893 1136006488 /nfs/dbraw/zinc/00/64/88/1136006488.db2.gz GTWZYIKVYYIIGK-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1C#N ZINC001201319681 1136007354 /nfs/dbraw/zinc/00/73/54/1136007354.db2.gz FFSBRDVHVPBCIP-UHFFFAOYSA-N -1 1 348.427 3.919 20 30 EHEDMM C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1cccc(C(=O)[O-])c1 ZINC000776183004 1136016911 /nfs/dbraw/zinc/01/69/11/1136016911.db2.gz GHSAQBVSLRAJSK-HNNXBMFYSA-N -1 1 337.423 3.695 20 30 EHEDMM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201792940 1136062758 /nfs/dbraw/zinc/06/27/58/1136062758.db2.gz WMDFNDUJGSAKFJ-UHFFFAOYSA-N -1 1 343.452 3.605 20 30 EHEDMM N#Cc1cccc([O-])c1NC(=O)Nc1ccc(Br)cc1 ZINC001202336916 1136130770 /nfs/dbraw/zinc/13/07/70/1136130770.db2.gz VYKLXBRUXWCSEJ-UHFFFAOYSA-N -1 1 332.157 3.670 20 30 EHEDMM CC(=NNc1nc2ccccc2s1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776757929 1136650188 /nfs/dbraw/zinc/65/01/88/1136650188.db2.gz CLGFNAUCYJCLSW-UHFFFAOYSA-N -1 1 329.356 3.970 20 30 EHEDMM CCCCCc1ccc(C(CC)N=Nc2nnc(C)c(=O)[n-]2)cc1 ZINC000863965914 1137209295 /nfs/dbraw/zinc/20/92/95/1137209295.db2.gz RIEJPDMGRXTYFO-UHFFFAOYSA-N -1 1 327.432 3.845 20 30 EHEDMM CC(C)[C@H](Cc1ccccc1)NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844591293 1137238019 /nfs/dbraw/zinc/23/80/19/1137238019.db2.gz FYPRXAYLKQPDCP-FQEVSTJZSA-N -1 1 348.450 3.556 20 30 EHEDMM CCCCN(CCC#N)Cc1cc(Br)c(F)cc1[O-] ZINC001144299903 1137268822 /nfs/dbraw/zinc/26/88/22/1137268822.db2.gz LXOMTDOMALEYOX-UHFFFAOYSA-N -1 1 329.213 3.810 20 30 EHEDMM CCOCCOCc1cccc(N[C@@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866316290 1137345077 /nfs/dbraw/zinc/34/50/77/1137345077.db2.gz OKQDWHKZOHOKFG-HNNXBMFYSA-N -1 1 340.423 3.990 20 30 EHEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1SCCc2sccc21 ZINC000079700705 1138157805 /nfs/dbraw/zinc/15/78/05/1138157805.db2.gz XMHDMSVTMRFHPH-ZETCQYMHSA-N -1 1 334.348 3.504 20 30 EHEDMM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000274282098 1141493442 /nfs/dbraw/zinc/49/34/42/1141493442.db2.gz CCBFGVJWBIHCAF-CYBMUJFWSA-N -1 1 335.256 3.600 20 30 EHEDMM N#CC(C(=O)Cc1ccccc1NC(=O)[O-])c1ccc2ccccc2n1 ZINC000833959827 606091514 /nfs/dbraw/zinc/09/15/14/606091514.db2.gz DFSJBPMLPVBETF-HNNXBMFYSA-N -1 1 345.358 3.744 20 30 EHEDMM Cc1[nH]c2ccccc2c1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822010247 606390189 /nfs/dbraw/zinc/39/01/89/606390189.db2.gz VBNJZXCTVRDTKB-VURMDHGXSA-N -1 1 335.392 3.614 20 30 EHEDMM CCc1cccc2c(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)c[nH]c21 ZINC000825723017 608093461 /nfs/dbraw/zinc/09/34/61/608093461.db2.gz QPFAWZIQUBWQBF-SREVYHEPSA-N -1 1 349.419 3.868 20 30 EHEDMM CCc1cccc2c(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)c[nH]c21 ZINC000825723017 608093462 /nfs/dbraw/zinc/09/34/62/608093462.db2.gz QPFAWZIQUBWQBF-SREVYHEPSA-N -1 1 349.419 3.868 20 30 EHEDMM CC[C@@H]1C[C@@H](C)CCC1N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825180854 608750045 /nfs/dbraw/zinc/75/00/45/608750045.db2.gz BBAPQMKZGFBKNB-WDEREUQCSA-N -1 1 331.424 3.592 20 30 EHEDMM C=C(C)CN(Cc1ccccc1)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573293680 946965871 /nfs/dbraw/zinc/96/58/71/946965871.db2.gz GBVBZENIMHIHOO-UHFFFAOYSA-N -1 1 346.847 3.559 20 30 EHEDMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC001593190813 994127808 /nfs/dbraw/zinc/12/78/08/994127808.db2.gz WRDONPGVESSWSR-MEDUHNTESA-N -1 1 346.333 3.636 20 30 EHEDMM COc1ccc2c(c1)C(=NNc1ccc(C(=O)[O-])c(F)c1)CCCO2 ZINC001599626808 994160466 /nfs/dbraw/zinc/16/04/66/994160466.db2.gz ZOQOBJWMVWVEQG-UHFFFAOYSA-N -1 1 344.342 3.521 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H]2CCCOc3c(Cl)cccc32)cc1[O-] ZINC000189146157 1016441662 /nfs/dbraw/zinc/44/16/62/1016441662.db2.gz HFVSYVJAFUFNRS-HNNXBMFYSA-N -1 1 342.782 3.561 20 30 EHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)ccc2ncccc21 ZINC000610500383 1020777682 /nfs/dbraw/zinc/77/76/82/1020777682.db2.gz NOBBRABGMZMASG-UHFFFAOYSA-N -1 1 337.404 3.524 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(F)c1 ZINC000135375937 1022821655 /nfs/dbraw/zinc/82/16/55/1022821655.db2.gz OXSAKEBDGRBJAD-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000184029843 1025415369 /nfs/dbraw/zinc/41/53/69/1025415369.db2.gz PRGQGLJVGKADNS-UHFFFAOYSA-N -1 1 332.450 3.531 20 30 EHEDMM N#Cc1ccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)cc1 ZINC000209990957 1025468081 /nfs/dbraw/zinc/46/80/81/1025468081.db2.gz TXCWXCUZJOVMMT-CLTKARDFSA-N -1 1 328.165 3.922 20 30 EHEDMM CC(C)CCN(CCC#N)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436750864 1026139210 /nfs/dbraw/zinc/13/92/10/1026139210.db2.gz HWTFDYXXJTWMKB-UHFFFAOYSA-N -1 1 328.334 3.813 20 30 EHEDMM CCOc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc(Cl)c1[O-] ZINC000277585356 1026165068 /nfs/dbraw/zinc/16/50/68/1026165068.db2.gz RUYRXZRZZGOFHR-AWEZNQCLSA-N -1 1 336.819 3.599 20 30 EHEDMM O=C(Nc1nc(-c2ccco2)n[nH]1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000073974191 1028589683 /nfs/dbraw/zinc/58/96/83/1028589683.db2.gz ZTCKMGLOFKXNHS-JTQLQIEISA-N -1 1 344.758 3.557 20 30 EHEDMM C[C@H](Oc1ccccc1C#N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445479340 1028838863 /nfs/dbraw/zinc/83/88/63/1028838863.db2.gz HASKKJYSCJUGHL-JTQLQIEISA-N -1 1 325.299 3.593 20 30 EHEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329615232 1031402101 /nfs/dbraw/zinc/40/21/01/1031402101.db2.gz FHJJLHLSUNOOCW-SOUVJXGZSA-N -1 1 342.443 3.520 20 30 EHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C(C)C)c2)n1 ZINC000595241410 1033718526 /nfs/dbraw/zinc/71/85/26/1033718526.db2.gz XGOZUXRUZULNHM-CQSZACIVSA-N -1 1 342.420 3.933 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)c1 ZINC000593829743 1034279867 /nfs/dbraw/zinc/27/98/67/1034279867.db2.gz VYGLXDVHVAJJOE-QGZVFWFLSA-N -1 1 338.382 3.640 20 30 EHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1C(F)(F)F ZINC000443405821 1035713333 /nfs/dbraw/zinc/71/33/33/1035713333.db2.gz KIOOCQUPCRHRBH-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM CCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1Cl ZINC000507597375 1035790551 /nfs/dbraw/zinc/79/05/51/1035790551.db2.gz DOOMFQYGBFXKBM-UHFFFAOYSA-N -1 1 334.828 3.769 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)c1 ZINC000589196901 1036302465 /nfs/dbraw/zinc/30/24/65/1036302465.db2.gz XIXGTXXMNHHEQP-UHFFFAOYSA-N -1 1 344.773 3.518 20 30 EHEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)c(F)cc1Br ZINC000589921399 1036674877 /nfs/dbraw/zinc/67/48/77/1036674877.db2.gz IVLSPDUOLYIOHJ-UHFFFAOYSA-N -1 1 349.159 3.726 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000590494315 1036901915 /nfs/dbraw/zinc/90/19/15/1036901915.db2.gz BFXLSIKXBUUHPC-CQSZACIVSA-N -1 1 326.783 3.547 20 30 EHEDMM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000590739740 1037041169 /nfs/dbraw/zinc/04/11/69/1037041169.db2.gz JOEQSGJPUFBMNX-JTQLQIEISA-N -1 1 342.873 3.771 20 30 EHEDMM CSc1ccc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000539399640 1038895061 /nfs/dbraw/zinc/89/50/61/1038895061.db2.gz WRFUXBACYFLEKL-UHFFFAOYSA-N -1 1 332.450 3.698 20 30 EHEDMM COc1cc(C(=O)/C=C\c2ccc3c(c2)C[C@@H](C)O3)cc(OC)c1[O-] ZINC000899383944 1040414453 /nfs/dbraw/zinc/41/44/53/1040414453.db2.gz DDXUNJNDZYQXEF-TXNVCOODSA-N -1 1 340.375 3.629 20 30 EHEDMM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614302586 1040973656 /nfs/dbraw/zinc/97/36/56/1040973656.db2.gz FZONQNGFAKKLLC-LBPRGKRZSA-N -1 1 343.452 3.985 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2cc3cnn(C(C)C)c3nc2C)n1 ZINC000193269326 1041022165 /nfs/dbraw/zinc/02/21/65/1041022165.db2.gz TVZUJQTUJZLIHI-CQSZACIVSA-N -1 1 339.424 3.576 20 30 EHEDMM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000073853553 1128780232 /nfs/dbraw/zinc/78/02/32/1128780232.db2.gz MAVBBBFAVRSIGC-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM N#Cc1ccccc1Oc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000111578446 1128874599 /nfs/dbraw/zinc/87/45/99/1128874599.db2.gz ZECRZIFBYRVJQZ-UHFFFAOYSA-N -1 1 331.331 3.703 20 30 EHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000063878607 1128903849 /nfs/dbraw/zinc/90/38/49/1128903849.db2.gz GTGKXAOTIBHKJK-UHFFFAOYSA-N -1 1 326.421 3.546 20 30 EHEDMM O=C(c1cc(F)ccc1[O-])N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001649026099 1121848546 /nfs/dbraw/zinc/84/85/46/1121848546.db2.gz OCSMWVKCDHJROV-UHFFFAOYSA-N -1 1 330.142 3.870 20 30 EHEDMM COc1ccc2oc(/C=C\C(=O)c3cc(C(=O)[O-])ccc3O)cc2c1 ZINC000763292319 1121944695 /nfs/dbraw/zinc/94/46/95/1121944695.db2.gz MOQDKPIYAOUIAE-UTCJRWHESA-N -1 1 338.315 3.741 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)O2 ZINC000915988975 1122013208 /nfs/dbraw/zinc/01/32/08/1122013208.db2.gz RCXRKGKCRHTSAS-MKMNVTDBSA-N -1 1 331.711 3.878 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)s2)c(Cl)cc1F ZINC000312272031 1129079451 /nfs/dbraw/zinc/07/94/51/1129079451.db2.gz QHSYKWMBAAGJCD-UHFFFAOYSA-N -1 1 330.793 3.522 20 30 EHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(OCC(F)(F)F)cc1 ZINC000921266308 1123502512 /nfs/dbraw/zinc/50/25/12/1123502512.db2.gz XMVPOERWKWDIHB-CHHVJCJISA-N -1 1 336.265 3.950 20 30 EHEDMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000609876404 1123682286 /nfs/dbraw/zinc/68/22/86/1123682286.db2.gz UHCICWQHBNTQLS-UHFFFAOYSA-N -1 1 328.437 3.678 20 30 EHEDMM CCSCc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619463011 1125350367 /nfs/dbraw/zinc/35/03/67/1125350367.db2.gz PHYOVNUTRMJWFA-UHFFFAOYSA-N -1 1 346.477 3.807 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC000619545160 1125360346 /nfs/dbraw/zinc/36/03/46/1125360346.db2.gz JGGBACSMGVIVGY-VQTJNVASSA-N -1 1 328.371 3.703 20 30 EHEDMM N#C[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CCCCC1 ZINC000619582496 1125368144 /nfs/dbraw/zinc/36/81/44/1125368144.db2.gz OVXXSCJUQURSHN-ZDUSSCGKSA-N -1 1 326.318 3.613 20 30 EHEDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000078967895 1129216379 /nfs/dbraw/zinc/21/63/79/1129216379.db2.gz KKBISSUKQLMEAT-UHFFFAOYSA-N -1 1 334.828 3.883 20 30 EHEDMM CCc1c(C)sc([N-]C(=O)c2ncoc2[C@@H]2CCCO2)c1C#N ZINC000115059141 1129227602 /nfs/dbraw/zinc/22/76/02/1129227602.db2.gz FBCVNWBIIIGHSG-LBPRGKRZSA-N -1 1 331.397 3.582 20 30 EHEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000742030087 1131684961 /nfs/dbraw/zinc/68/49/61/1131684961.db2.gz SLYYRPSMSUIFHO-UHFFFAOYSA-N -1 1 329.421 3.623 20 30 EHEDMM CCc1cc(=O)[n-]c(SCC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000767063056 1132939786 /nfs/dbraw/zinc/93/97/86/1132939786.db2.gz MEAHIPHYVDJMRE-UHFFFAOYSA-N -1 1 338.354 3.907 20 30 EHEDMM N#C[C@@H](Cc1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001177917127 1133112978 /nfs/dbraw/zinc/11/29/78/1133112978.db2.gz PBZNDNXKCUNAAE-SECBINFHSA-N -1 1 340.326 3.793 20 30 EHEDMM CO[C@](C)(C(=O)Nc1ccc(C#N)cc1[O-])c1cccc2ccccc21 ZINC001178679698 1133190582 /nfs/dbraw/zinc/19/05/82/1133190582.db2.gz HKAKKKVQRCQNRE-NRFANRHFSA-N -1 1 346.386 3.917 20 30 EHEDMM Cc1c(C)c(C)c(CC(=O)N([O-])C(=N)c2ccccc2N)c(C)c1C ZINC001184422353 1133938588 /nfs/dbraw/zinc/93/85/88/1133938588.db2.gz NRCNMRUERDTERV-UHFFFAOYSA-N -1 1 339.439 3.597 20 30 EHEDMM COc1ccc2nc(/C=C/C(=O)c3cc(OC)ccc3[O-])sc2c1 ZINC000788732142 1134167070 /nfs/dbraw/zinc/16/70/70/1134167070.db2.gz OEOUDXQHZIIGOP-BQYQJAHWSA-N -1 1 341.388 3.915 20 30 EHEDMM CC(C)c1nc(-c2ccc(C(=O)Nc3ccc(C#N)cc3[O-])cc2)no1 ZINC001187512642 1134340233 /nfs/dbraw/zinc/34/02/33/1134340233.db2.gz SGVPMCAJOXTBGE-UHFFFAOYSA-N -1 1 348.362 3.690 20 30 EHEDMM CCCCCCCCS(=O)(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001188018025 1134416683 /nfs/dbraw/zinc/41/66/83/1134416683.db2.gz QFOXIORSIVKKCJ-UHFFFAOYSA-N -1 1 328.409 3.505 20 30 EHEDMM CCCCCCCC[C@H](C)CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000775192145 1134500668 /nfs/dbraw/zinc/50/06/68/1134500668.db2.gz OMOBSBGJRLMMKC-HOTGVXAUSA-N -1 1 335.496 3.683 20 30 EHEDMM N#CC(=C([O-])C1=Cc2ccccc2OC1)c1nccc2ccccc21 ZINC000792106031 1134650597 /nfs/dbraw/zinc/65/05/97/1134650597.db2.gz OYFXXHCBTVVPEC-SFHVURJKSA-N -1 1 326.355 3.887 20 30 EHEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1 ZINC001190651267 1134732770 /nfs/dbraw/zinc/73/27/70/1134732770.db2.gz YWVTULVRZMVBFJ-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM Cc1cc(C#N)c(NC(=O)c2ccc([O-])cc2C(F)(F)F)s1 ZINC001193733628 1135174265 /nfs/dbraw/zinc/17/42/65/1135174265.db2.gz KSWPQQCNCZENIJ-UHFFFAOYSA-N -1 1 326.299 3.905 20 30 EHEDMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C#N)c2ncccc12 ZINC001194642721 1135296044 /nfs/dbraw/zinc/29/60/44/1135296044.db2.gz MPQUXJBVPFBWPD-UHFFFAOYSA-N -1 1 337.404 3.524 20 30 EHEDMM CN(C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)C1CC(F)(F)C1 ZINC001196297085 1135544862 /nfs/dbraw/zinc/54/48/62/1135544862.db2.gz IJLHVDKVXCTDNX-UHFFFAOYSA-N -1 1 342.345 3.801 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(C)C)cc1C#N ZINC001201322353 1136007114 /nfs/dbraw/zinc/00/71/14/1136007114.db2.gz JTOVRZJINDDCPC-UHFFFAOYSA-N -1 1 328.437 3.866 20 30 EHEDMM C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1C ZINC000814830170 1136512550 /nfs/dbraw/zinc/51/25/50/1136512550.db2.gz ZYKCBIBLODYWJN-ZIAGYGMSSA-N -1 1 343.452 3.931 20 30 EHEDMM CC(=NNc1ccc(C(F)(F)F)cn1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776758824 1136647209 /nfs/dbraw/zinc/64/72/09/1136647209.db2.gz RKXCHTMKYUHCAP-UHFFFAOYSA-N -1 1 341.264 3.774 20 30 EHEDMM N#C[C@H](NC(=O)c1ccc([O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC001136673113 1137087741 /nfs/dbraw/zinc/08/77/41/1137087741.db2.gz JZUWMMMXSVEXJM-AWEZNQCLSA-N -1 1 338.260 3.545 20 30 EHEDMM CCc1ccccc1[C@H](CC(=O)[O-])NCc1ccc(C#N)cc1F ZINC000864528171 1137232720 /nfs/dbraw/zinc/23/27/20/1137232720.db2.gz MIBHHHIACPEFEH-SFHVURJKSA-N -1 1 326.371 3.565 20 30 EHEDMM C[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(C#N)c1[O-] ZINC000866321805 1137345588 /nfs/dbraw/zinc/34/55/88/1137345588.db2.gz QPJBRJXJXHLZOI-RDTXWAMCSA-N -1 1 338.407 3.995 20 30 EHEDMM Cc1c(N[C@H](C)c2cccc(C#N)c2[O-])cccc1C(=O)N1CCCC1 ZINC000866330212 1137346183 /nfs/dbraw/zinc/34/61/83/1137346183.db2.gz CTAMPJGZFDWJMC-OAHLLOKOSA-N -1 1 349.434 3.981 20 30 EHEDMM C[C@@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1cccc(C#N)c1[O-] ZINC000866332836 1137346444 /nfs/dbraw/zinc/34/64/44/1137346444.db2.gz HBUCMODPVRGNOJ-HUUCEWRRSA-N -1 1 337.423 3.662 20 30 EHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccccc1OCc1ccccn1 ZINC000022504167 1137702354 /nfs/dbraw/zinc/70/23/54/1137702354.db2.gz WNYIPZSBZDUPJF-RGVLZGJSSA-N -1 1 345.354 3.982 20 30 EHEDMM CCOc1cc(C(=O)N(CCC#N)CC(C)(C)C)cc(Cl)c1[O-] ZINC000186785228 1140221919 /nfs/dbraw/zinc/22/19/19/1140221919.db2.gz KPOOXULPOANINI-UHFFFAOYSA-N -1 1 338.835 3.846 20 30 EHEDMM N#CC(C(=O)c1cccc(C(=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000821320016 598148728 /nfs/dbraw/zinc/14/87/28/598148728.db2.gz GBNZQRKSRVBRPY-HNNXBMFYSA-N -1 1 348.383 3.998 20 30 EHEDMM CC[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000736920113 600599079 /nfs/dbraw/zinc/59/90/79/600599079.db2.gz NNNHDURIFXKIOU-SJORKVTESA-N -1 1 330.334 3.703 20 30 EHEDMM CCOc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833660394 605142137 /nfs/dbraw/zinc/14/21/37/605142137.db2.gz KOZQFVMIHWZURO-QGZVFWFLSA-N -1 1 344.798 3.526 20 30 EHEDMM C#Cc1cccc(CNCc2ccc(-c3ccccc3C(=O)[O-])o2)c1 ZINC001588522122 983569384 /nfs/dbraw/zinc/56/93/84/983569384.db2.gz CTXKVLRVRQFFII-UHFFFAOYSA-N -1 1 331.371 3.916 20 30 EHEDMM C=C(C)[C@H](NCc1cc(C(=O)[O-])c(C)n1C)c1ccc(F)c(F)c1 ZINC001588536237 983593006 /nfs/dbraw/zinc/59/30/06/983593006.db2.gz WJTOHRZOCDTPCC-KRWDZBQOSA-N -1 1 334.366 3.717 20 30 EHEDMM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCc2ccc(F)cc21 ZINC001594542170 986179544 /nfs/dbraw/zinc/17/95/44/986179544.db2.gz FEPUHHLURGZBLH-CYBMUJFWSA-N -1 1 338.382 3.557 20 30 EHEDMM CC(C)(O)c1ccc(CN=Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001590901906 990859709 /nfs/dbraw/zinc/85/97/09/990859709.db2.gz JXIDGVCBZGVWNH-UHFFFAOYSA-N -1 1 332.787 3.712 20 30 EHEDMM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000189021125 1016404321 /nfs/dbraw/zinc/40/43/21/1016404321.db2.gz IJMCIZACINKZQV-GFCCVEGCSA-N -1 1 343.452 3.985 20 30 EHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Br)cc1 ZINC000189864766 1016757351 /nfs/dbraw/zinc/75/73/51/1016757351.db2.gz QXHAUYBEVCJZSP-JTQLQIEISA-N -1 1 345.196 3.517 20 30 EHEDMM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCc2ccccc2C1 ZINC000190992126 1032435103 /nfs/dbraw/zinc/43/51/03/1032435103.db2.gz ADIHVOTUQIZCFR-IBGZPJMESA-N -1 1 334.419 3.674 20 30 EHEDMM N#Cc1ccc(C(=O)NCc2ccc(OC3CCCC3)cc2)cc1[O-] ZINC000560818825 1018589442 /nfs/dbraw/zinc/58/94/42/1018589442.db2.gz NXCOHKLMPFHBBG-UHFFFAOYSA-N -1 1 336.391 3.515 20 30 EHEDMM CCCOc1ccc(Cl)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614364056 1018858899 /nfs/dbraw/zinc/85/88/99/1018858899.db2.gz RQCPGLAQVUDTPD-UHFFFAOYSA-N -1 1 330.771 3.958 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(COC3CCCC3)cc2)c1 ZINC000614370052 1018865636 /nfs/dbraw/zinc/86/56/36/1018865636.db2.gz CMQWADFXIZGLAJ-UHFFFAOYSA-N -1 1 336.391 3.975 20 30 EHEDMM N#Cc1ccccc1/C=C\C(=O)Nc1cc(Br)ccc1[O-] ZINC000255290201 1020704455 /nfs/dbraw/zinc/70/44/55/1020704455.db2.gz MEPYHBDYKGMFMO-YVMONPNESA-N -1 1 343.180 3.678 20 30 EHEDMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc(OCCCC#N)c2)o1 ZINC000426766191 1023016582 /nfs/dbraw/zinc/01/65/82/1023016582.db2.gz XRBMTFNWYYLVHN-QGZVFWFLSA-N -1 1 342.395 3.576 20 30 EHEDMM COCCn1cc(C([O-])=C(C#N)c2nc(C)cs2)c2ccccc21 ZINC000147454524 1023834022 /nfs/dbraw/zinc/83/40/22/1023834022.db2.gz OJJKTIXFKLZXPN-CQSZACIVSA-N -1 1 339.420 3.543 20 30 EHEDMM Cc1[nH]nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1[O-] ZINC000610986877 1023931398 /nfs/dbraw/zinc/93/13/98/1023931398.db2.gz DIMDZPIUROGANB-UHFFFAOYSA-N -1 1 348.362 3.648 20 30 EHEDMM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(C#N)c([O-])c2)C2CC2)o1 ZINC000190470505 1024665286 /nfs/dbraw/zinc/66/52/86/1024665286.db2.gz KIBWQKXBNKMMAP-SJKOYZFVSA-N -1 1 336.391 3.785 20 30 EHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000443414462 1026002192 /nfs/dbraw/zinc/00/21/92/1026002192.db2.gz CNSQBFHYMNODSU-UHFFFAOYSA-N -1 1 346.408 3.823 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1[O-] ZINC000785410028 1026458242 /nfs/dbraw/zinc/45/82/42/1026458242.db2.gz QNCICEXOOLMDMU-UHFFFAOYSA-N -1 1 345.402 3.765 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Br)c(F)c2)n1 ZINC000049416885 1027811603 /nfs/dbraw/zinc/81/16/03/1027811603.db2.gz KSCFAHHAYPMPMD-VIFPVBQESA-N -1 1 339.189 3.843 20 30 EHEDMM C=CCCCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445398367 1028320533 /nfs/dbraw/zinc/32/05/33/1028320533.db2.gz TVASXMHVASZCNL-UHFFFAOYSA-N -1 1 339.189 3.722 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000324445936 1029844982 /nfs/dbraw/zinc/84/49/82/1029844982.db2.gz XIVVQIQCQMWFNA-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1Cl ZINC000168592963 1031482931 /nfs/dbraw/zinc/48/29/31/1031482931.db2.gz ULJPGDDJMFSBED-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM CC(C)(C#N)c1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2F)cc1 ZINC000904045134 1031663169 /nfs/dbraw/zinc/66/31/69/1031663169.db2.gz HLYANFIMOUZVFK-SFHVURJKSA-N -1 1 340.398 3.932 20 30 EHEDMM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000594694682 1033510255 /nfs/dbraw/zinc/51/02/55/1033510255.db2.gz AZRXRPYWMWTSLR-AWEZNQCLSA-N -1 1 344.436 3.731 20 30 EHEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000108238249 1033784992 /nfs/dbraw/zinc/78/49/92/1033784992.db2.gz FTVXTQSRWIZLFH-LLVKDONJSA-N -1 1 328.393 3.602 20 30 EHEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C)s2)cc1 ZINC000171566954 1034471860 /nfs/dbraw/zinc/47/18/60/1034471860.db2.gz OQPWNSJWYNXKMD-NHYWBVRUSA-N -1 1 341.436 3.926 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C/c2c(Cl)nc3sccn23)c1 ZINC000156685155 1035597844 /nfs/dbraw/zinc/59/78/44/1035597844.db2.gz VHTMKFRPUQFETK-HWKANZROSA-N -1 1 334.784 3.660 20 30 EHEDMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000392660808 1035906752 /nfs/dbraw/zinc/90/67/52/1035906752.db2.gz UQAWSDNNGXFKQX-CQSZACIVSA-N -1 1 344.436 3.845 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c1 ZINC000589197839 1036303437 /nfs/dbraw/zinc/30/34/37/1036303437.db2.gz GAHZBNRIPLSXLV-HNNXBMFYSA-N -1 1 338.382 3.813 20 30 EHEDMM N#CC(=C([O-])c1cnc2ccc(F)cc2c1)c1cnc2ccccc2n1 ZINC000190945468 1036307688 /nfs/dbraw/zinc/30/76/88/1036307688.db2.gz BYEOGBWCKPQBMC-HNNXBMFYSA-N -1 1 342.333 3.807 20 30 EHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c1 ZINC000589585048 1036519886 /nfs/dbraw/zinc/51/98/86/1036519886.db2.gz IYYUPVWBRTZKGZ-UHFFFAOYSA-N -1 1 349.415 3.615 20 30 EHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1F ZINC000051637907 1036955513 /nfs/dbraw/zinc/95/55/13/1036955513.db2.gz ZAEBCHQVMLHGON-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)cc1[O-] ZINC000443319990 1037833536 /nfs/dbraw/zinc/83/35/36/1037833536.db2.gz KBVNEFBWQFDSQC-UHFFFAOYSA-N -1 1 347.201 3.769 20 30 EHEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1scnc1C1CC1 ZINC000760965964 1037949151 /nfs/dbraw/zinc/94/91/51/1037949151.db2.gz RDJPWXZRGQRIDP-JTQLQIEISA-N -1 1 345.811 3.635 20 30 EHEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(-c2ccccc2)c[nH]1 ZINC000443339490 1037975033 /nfs/dbraw/zinc/97/50/33/1037975033.db2.gz ARDMNQFUNPBBLC-INIZCTEOSA-N -1 1 346.390 3.535 20 30 EHEDMM CC1(C)CCc2sc([N-]C(=O)c3ncc(F)cc3F)c(C#N)c21 ZINC000906262323 1039444019 /nfs/dbraw/zinc/44/40/19/1039444019.db2.gz IZFUXSMQYDEJLT-UHFFFAOYSA-N -1 1 333.363 3.769 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000587197431 1041113590 /nfs/dbraw/zinc/11/35/90/1041113590.db2.gz NJTDVTSEULWRMK-AQNXPRMDSA-N -1 1 332.403 3.672 20 30 EHEDMM N#Cc1ccsc1C(=O)[N-]c1c(F)cc(Br)cc1F ZINC000175251323 1130416420 /nfs/dbraw/zinc/41/64/20/1130416420.db2.gz UDUZLMQQLNQQCU-UHFFFAOYSA-N -1 1 343.152 3.913 20 30 EHEDMM N#C[C@@H]([N-]C(=O)[C@@H](F)C(F)(F)F)c1cccc(Cl)c1Cl ZINC000764508150 1127501165 /nfs/dbraw/zinc/50/11/65/1127501165.db2.gz RIPMHJYUFMUMIL-VXNVDRBHSA-N -1 1 329.080 3.575 20 30 EHEDMM O=C([O-])c1ccc2c(C=NOc3ccccc3C(F)(F)F)n[nH]c2c1 ZINC000765583520 1127684525 /nfs/dbraw/zinc/68/45/25/1127684525.db2.gz HDWUIKRPFJBTTQ-UHFFFAOYSA-N -1 1 349.268 3.693 20 30 EHEDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1F ZINC000494402470 1120550371 /nfs/dbraw/zinc/55/03/71/1120550371.db2.gz IPJXUFKZYDZTKN-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000193362286 1120772899 /nfs/dbraw/zinc/77/28/99/1120772899.db2.gz CHEHOSOGMCSNRB-UHFFFAOYSA-N -1 1 340.326 3.572 20 30 EHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2-c2ccccc2)c(=O)o1 ZINC000917517676 1122624481 /nfs/dbraw/zinc/62/44/81/1122624481.db2.gz VSIFWEIMNIDWCE-DUQGCJEPSA-N -1 1 332.355 3.582 20 30 EHEDMM CCc1c(C)sc([N-]C(=O)c2c(F)cc(C#N)cc2F)c1C#N ZINC000132135760 1129075747 /nfs/dbraw/zinc/07/57/47/1129075747.db2.gz FFOJMUDKNJLSES-UHFFFAOYSA-N -1 1 331.347 3.893 20 30 EHEDMM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc2ccccc2c1[O-] ZINC000618790177 1125201752 /nfs/dbraw/zinc/20/17/52/1125201752.db2.gz XJSCMLTYRFQUDG-LJQANCHMSA-N -1 1 328.371 3.834 20 30 EHEDMM N#Cc1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1OC(F)(F)F ZINC000619676972 1125380898 /nfs/dbraw/zinc/38/08/98/1125380898.db2.gz KJNMKJWNPZMDQC-UHFFFAOYSA-N -1 1 340.232 3.554 20 30 EHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000391817315 1129686737 /nfs/dbraw/zinc/68/67/37/1129686737.db2.gz MLIYZJILLYLFAL-UHFFFAOYSA-N -1 1 326.421 3.546 20 30 EHEDMM C[C@H]1CC(C)(C)CC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000766018712 1129786711 /nfs/dbraw/zinc/78/67/11/1129786711.db2.gz ABOFHQPIAOGSGM-JTQLQIEISA-N -1 1 330.436 3.511 20 30 EHEDMM COc1cc(C#N)ccc1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000766063710 1130164757 /nfs/dbraw/zinc/16/47/57/1130164757.db2.gz ZXRKZHIEISVIBW-HJWRWDBZSA-N -1 1 348.811 3.633 20 30 EHEDMM O=c1[n-]c(=S)[nH]c(Nc2ccc(O)cc2)c1N=Cc1ccccc1 ZINC001175043132 1132547915 /nfs/dbraw/zinc/54/79/15/1132547915.db2.gz AHTVXFHUUGEMQZ-VCHYOVAHSA-N -1 1 338.392 3.671 20 30 EHEDMM [O-]/N=C/c1cc(NCCc2cn3ccccc3n2)cc(C(F)(F)F)c1 ZINC001169008893 1132631156 /nfs/dbraw/zinc/63/11/56/1132631156.db2.gz JUEGGRVUNXPENK-LSHDLFTRSA-N -1 1 348.328 3.816 20 30 EHEDMM O=C(/C=C\c1ccc(F)cc1Br)c1cc(O)ccc1[O-] ZINC000767727639 1133043481 /nfs/dbraw/zinc/04/34/81/1133043481.db2.gz AQDOODFBDQZDGR-DJWKRKHSSA-N -1 1 337.144 3.896 20 30 EHEDMM CC(C)(C)n1ncc2c1[n-]c(NN=C1CCCC(C)(C)C1)nc2=O ZINC000769812392 1133350590 /nfs/dbraw/zinc/35/05/90/1133350590.db2.gz NTMZYPJCWPWWSI-UHFFFAOYSA-N -1 1 330.436 3.655 20 30 EHEDMM CC(C)(C)n1ncc2c1[n-]c(NN=C1CCC(C)(C)CC1)nc2=O ZINC000769813366 1133350807 /nfs/dbraw/zinc/35/08/07/1133350807.db2.gz UWYFYLUEQWHNTL-UHFFFAOYSA-N -1 1 330.436 3.655 20 30 EHEDMM N#Cc1cccc(CCC(=O)Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001182344660 1133638813 /nfs/dbraw/zinc/63/88/13/1133638813.db2.gz SOELMRVCGQKFRW-UHFFFAOYSA-N -1 1 334.297 3.854 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ncc(C(F)(F)F)s1)O2 ZINC000788347500 1134112242 /nfs/dbraw/zinc/11/22/42/1134112242.db2.gz BIPLSHQHTUAUTG-RUDMXATFSA-N -1 1 327.283 3.792 20 30 EHEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc2c(C#N)cccc12 ZINC001185828296 1134138581 /nfs/dbraw/zinc/13/85/81/1134138581.db2.gz ATAHJNMEPDOGFK-UHFFFAOYSA-N -1 1 340.379 3.960 20 30 EHEDMM CC(C)n1cc(C(=O)Nc2ccc(C#N)cc2[O-])c(C(F)(F)F)c1 ZINC001187783227 1134386851 /nfs/dbraw/zinc/38/68/51/1134386851.db2.gz QVWMRPQSTCQCML-UHFFFAOYSA-N -1 1 337.301 3.917 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cn(CC(F)(F)F)cn1 ZINC001188002052 1134410999 /nfs/dbraw/zinc/41/09/99/1134410999.db2.gz WGEAIAQLUOWJFR-UHFFFAOYSA-N -1 1 341.399 3.548 20 30 EHEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC001189983189 1134646818 /nfs/dbraw/zinc/64/68/18/1134646818.db2.gz ZMEYOUPYTGIQIS-UHFFFAOYSA-N -1 1 343.301 3.627 20 30 EHEDMM COc1cc(C=NNc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1[O-] ZINC000747061237 1134669727 /nfs/dbraw/zinc/66/97/27/1134669727.db2.gz FGAPGTGJCCBTRG-UHFFFAOYSA-N -1 1 335.747 3.717 20 30 EHEDMM N#Cc1ccc(NC(=O)c2cc(OC(F)(F)F)ccc2F)c([O-])c1 ZINC001190671229 1134729026 /nfs/dbraw/zinc/72/90/26/1134729026.db2.gz RYUKJBAVRQVOOR-UHFFFAOYSA-N -1 1 340.232 3.554 20 30 EHEDMM Cc1cc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1Cl ZINC001190656281 1134733790 /nfs/dbraw/zinc/73/37/90/1134733790.db2.gz YXWNLPZWQLERBU-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3[O-])ccn2)cc1 ZINC001192136072 1134973708 /nfs/dbraw/zinc/97/37/08/1134973708.db2.gz PCPGXWQSNFZANS-UHFFFAOYSA-N -1 1 345.358 3.587 20 30 EHEDMM CC(C)c1csc(C(=O)[N-]c2c(C#N)cnnc2-c2ccccc2)n1 ZINC001193500642 1135147322 /nfs/dbraw/zinc/14/73/22/1135147322.db2.gz CJIOJBKBSWAZFK-UHFFFAOYSA-N -1 1 349.419 3.847 20 30 EHEDMM N#Cc1cc(NC(=O)Oc2ccc(Br)cc2)ccc1[O-] ZINC001194600734 1135291638 /nfs/dbraw/zinc/29/16/38/1135291638.db2.gz XJPXJUMRCJSMMZ-UHFFFAOYSA-N -1 1 333.141 3.637 20 30 EHEDMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1C ZINC001194643733 1135296343 /nfs/dbraw/zinc/29/63/43/1135296343.db2.gz MQZOAYZYJKAEJX-UHFFFAOYSA-N -1 1 334.828 3.938 20 30 EHEDMM CCc1cc2c(COC(=O)CCCCCC#N)cc(=O)oc2cc1[O-] ZINC000805697213 1135314070 /nfs/dbraw/zinc/31/40/70/1135314070.db2.gz VUAFNKBWJIUZEZ-UHFFFAOYSA-N -1 1 343.379 3.578 20 30 EHEDMM COc1ccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)c(C)c1OC ZINC000806572157 1135463107 /nfs/dbraw/zinc/46/31/07/1135463107.db2.gz WUZJNCVZZXVYOV-LZYBPNLTSA-N -1 1 326.348 3.642 20 30 EHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cc(C4CC4)[nH]n3)c2)c1 ZINC001196298377 1135544375 /nfs/dbraw/zinc/54/43/75/1135544375.db2.gz UOUDXUWGKPNYCX-UHFFFAOYSA-N -1 1 344.374 3.784 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC(C)C)cc1C#N ZINC001201322612 1136007494 /nfs/dbraw/zinc/00/74/94/1136007494.db2.gz PJQHOYXEXYAWND-UHFFFAOYSA-N -1 1 348.399 3.594 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(N3CCCCCC3)c2)c1 ZINC000776349651 1136162152 /nfs/dbraw/zinc/16/21/52/1136162152.db2.gz FBSOHFSSHZQYGA-UHFFFAOYSA-N -1 1 335.407 3.897 20 30 EHEDMM Cc1ccccc1C1N=NC(=S)N1N=Cc1cccc([O-])c1Cl ZINC000814750679 1136501284 /nfs/dbraw/zinc/50/12/84/1136501284.db2.gz VVCIPHRZPVPESQ-UHFFFAOYSA-N -1 1 344.827 3.783 20 30 EHEDMM C=CCCC(CCC)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000814846792 1136514505 /nfs/dbraw/zinc/51/45/05/1136514505.db2.gz MQZRPQHALDJECO-UHFFFAOYSA-N -1 1 330.436 3.821 20 30 EHEDMM Cc1ccnc(N=NC(C)c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000853317013 1136525644 /nfs/dbraw/zinc/52/56/44/1136525644.db2.gz LDACUCGHKXJYMF-UHFFFAOYSA-N -1 1 327.384 3.712 20 30 EHEDMM C#CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCCCC1 ZINC000776707475 1136579250 /nfs/dbraw/zinc/57/92/50/1136579250.db2.gz ZPMAIBFIKLZBDN-UHFFFAOYSA-N -1 1 325.330 3.819 20 30 EHEDMM CC(=NNc1nccc2sccc21)c1cc(C(=O)[O-])c(C)nc1C ZINC000776723341 1136600472 /nfs/dbraw/zinc/60/04/72/1136600472.db2.gz FXGONQOQMQMMNH-UHFFFAOYSA-N -1 1 340.408 3.842 20 30 EHEDMM C=CCCO[N-]C(=O)Cc1sc(SC2CCCC2)nc1C ZINC000856027766 1136750576 /nfs/dbraw/zinc/75/05/76/1136750576.db2.gz ZWSJLADDDATUOH-UHFFFAOYSA-N -1 1 326.487 3.653 20 30 EHEDMM C=CCn1cc(CN[C@H](CC)c2ccc(Cl)c(Cl)c2[O-])nn1 ZINC000818347794 1136872209 /nfs/dbraw/zinc/87/22/09/1136872209.db2.gz VHSOKOUOPNEGHF-CYBMUJFWSA-N -1 1 341.242 3.717 20 30 EHEDMM CCCCCCC[C@H](C)CNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001136343163 1136994884 /nfs/dbraw/zinc/99/48/84/1136994884.db2.gz OZWCBEKNUNAGTG-ZDUSSCGKSA-N -1 1 334.489 3.744 20 30 EHEDMM CCCCc1nc(C=NNc2cccc(C(=O)[O-])c2C)c(Cl)[nH]1 ZINC000844622924 1137240354 /nfs/dbraw/zinc/24/03/54/1137240354.db2.gz GAZAGYFPLABCTL-UHFFFAOYSA-N -1 1 334.807 3.858 20 30 EHEDMM O=C([O-])c1ccc(N=NC2c3ccccc3CC23CCOCC3)cc1 ZINC000794855852 1137304128 /nfs/dbraw/zinc/30/41/28/1137304128.db2.gz AAYQUMDNUGKKDZ-UHFFFAOYSA-N -1 1 336.391 3.554 20 30 EHEDMM COc1cc(N[C@H](C)c2cccc(C#N)c2[O-])c(OC)c(C)c1OC ZINC000866350956 1137348382 /nfs/dbraw/zinc/34/83/82/1137348382.db2.gz KOSLLYBEUWGJJR-GFCCVEGCSA-N -1 1 342.395 3.771 20 30 EHEDMM N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc([O-])c(Br)c1 ZINC000773152162 1137470312 /nfs/dbraw/zinc/47/03/12/1137470312.db2.gz ZNMDDKKJJMSTGR-LFYBBSHMSA-N -1 1 341.164 3.519 20 30 EHEDMM C=C[C@@H](CCC(=O)[O-])NCc1cccc(Cl)c1Br ZINC000871878360 1137562044 /nfs/dbraw/zinc/56/20/44/1137562044.db2.gz IVZRGEUAXWJAQQ-JTQLQIEISA-N -1 1 332.625 3.612 20 30 EHEDMM Cc1[n-]n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1F ZINC000871947878 1137563609 /nfs/dbraw/zinc/56/36/09/1137563609.db2.gz FLXHIMOZPFSMDE-SECBINFHSA-N -1 1 328.187 3.785 20 30 EHEDMM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000872413540 1137579754 /nfs/dbraw/zinc/57/97/54/1137579754.db2.gz MXLPMUPBYMPNHC-UHFFFAOYSA-N -1 1 342.420 3.554 20 30 EHEDMM N#Cc1ccc(C2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)cc1 ZINC000887701650 1138690331 /nfs/dbraw/zinc/69/03/31/1138690331.db2.gz FMRWZOTYAFIGIU-UHFFFAOYSA-N -1 1 342.345 3.562 20 30 EHEDMM CCCCCCCCCC(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889794093 1139269551 /nfs/dbraw/zinc/26/95/51/1139269551.db2.gz GRJFOWOPFAQQNB-HNNXBMFYSA-N -1 1 349.475 3.995 20 30 EHEDMM C=CCn1c(-c2sc(NC(=O)[C@H](C)C3CC3)nc2C)n[n-]c1=S ZINC000175321606 1139481817 /nfs/dbraw/zinc/48/18/17/1139481817.db2.gz LQBMJAHQUJZJOZ-MRVPVSSYSA-N -1 1 349.485 3.543 20 30 EHEDMM CN(Cc1ccc(F)cc1Cl)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830825258 601316521 /nfs/dbraw/zinc/31/65/21/601316521.db2.gz LUVOCKXZYQDZCZ-MRXNPFEDSA-N -1 1 332.762 3.608 20 30 EHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(F)c(Cl)c1 ZINC000822923839 606391744 /nfs/dbraw/zinc/39/17/44/606391744.db2.gz VWDIZPGSVIDYIY-DJWKRKHSSA-N -1 1 334.763 3.617 20 30 EHEDMM CC(C)Oc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824333431 608091719 /nfs/dbraw/zinc/09/17/19/608091719.db2.gz JQCQBVGWAVIEJQ-FPLPWBNLSA-N -1 1 340.408 3.612 20 30 EHEDMM CC(C)Oc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824333431 608091720 /nfs/dbraw/zinc/09/17/20/608091720.db2.gz JQCQBVGWAVIEJQ-FPLPWBNLSA-N -1 1 340.408 3.612 20 30 EHEDMM CC(=NNc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958482 946527530 /nfs/dbraw/zinc/52/75/30/946527530.db2.gz OSBVJALIFUQCNI-UHFFFAOYSA-N -1 1 336.783 3.557 20 30 EHEDMM CC(N=Nc1ccc(C(=O)[O-])c(F)c1)c1nc2c(s1)CCCC2 ZINC000835010304 979243953 /nfs/dbraw/zinc/24/39/53/979243953.db2.gz WTUJWNORYBBQBY-UHFFFAOYSA-N -1 1 333.388 3.695 20 30 EHEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1cc2c(s1)SCC(=O)N2 ZINC000184343563 1032285720 /nfs/dbraw/zinc/28/57/20/1032285720.db2.gz AQKXNKYMPJUOIG-DUXPYHPUSA-N -1 1 335.381 3.533 20 30 EHEDMM N#Cc1ccc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)o1 ZINC000340582109 1018585217 /nfs/dbraw/zinc/58/52/17/1018585217.db2.gz IEGXTGGUUOFRHY-UHFFFAOYSA-N -1 1 326.299 3.900 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2N2CCCCCC2)c1 ZINC000614358648 1018837879 /nfs/dbraw/zinc/83/78/79/1018837879.db2.gz IMNRMXIXSYVEHF-UHFFFAOYSA-N -1 1 335.407 3.897 20 30 EHEDMM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614368188 1018874545 /nfs/dbraw/zinc/87/45/45/1018874545.db2.gz CLVALPRMWFINKA-JTQLQIEISA-N -1 1 349.217 3.932 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000614374027 1018889595 /nfs/dbraw/zinc/88/95/95/1018889595.db2.gz RPGLAGHZZCNSGU-MRXNPFEDSA-N -1 1 342.782 3.561 20 30 EHEDMM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000345376676 1020210927 /nfs/dbraw/zinc/21/09/27/1020210927.db2.gz OFPIFXZRDLXIEZ-AWEZNQCLSA-N -1 1 329.363 3.546 20 30 EHEDMM COc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])cc(Cl)c1OC ZINC000255318970 1021075202 /nfs/dbraw/zinc/07/52/02/1021075202.db2.gz LINZWBXYOKWGLX-HYXAFXHYSA-N -1 1 334.755 3.665 20 30 EHEDMM N#Cc1cccc(F)c1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436869622 1021312312 /nfs/dbraw/zinc/31/23/12/1021312312.db2.gz NBSKKZHFUTXDEY-UHFFFAOYSA-N -1 1 329.718 3.697 20 30 EHEDMM O=C(N[C@@H]1CCOC2(CCC2)C1)c1ccc(Br)c([O-])c1 ZINC000328933105 1022549525 /nfs/dbraw/zinc/54/95/25/1022549525.db2.gz ILKRZQNWYJBRLW-LLVKDONJSA-N -1 1 340.217 3.561 20 30 EHEDMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1 ZINC000063147225 1033065803 /nfs/dbraw/zinc/06/58/03/1033065803.db2.gz WIVCNJLLTBACBX-UHFFFAOYSA-N -1 1 344.436 3.928 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1C(F)(F)F ZINC000438761070 1022974162 /nfs/dbraw/zinc/97/41/62/1022974162.db2.gz NQUFEEFIEURPAX-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(Cl)s1 ZINC000593542953 1033169637 /nfs/dbraw/zinc/16/96/37/1033169637.db2.gz CHOUTHWPOYYRBW-MRVPVSSYSA-N -1 1 346.886 3.764 20 30 EHEDMM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000611566258 1024660568 /nfs/dbraw/zinc/66/05/68/1024660568.db2.gz BBXPGLXFGWWGRM-MRXNPFEDSA-N -1 1 341.798 3.525 20 30 EHEDMM N#CC(=C([O-])c1cn2cc(Cl)cc(Cl)c2n1)c1ccccn1 ZINC000442081435 1025159052 /nfs/dbraw/zinc/15/90/52/1025159052.db2.gz CIRQCJQZRDNZRE-JTQLQIEISA-N -1 1 331.162 3.526 20 30 EHEDMM C=CCCS(=O)(=O)[N-]c1cc(C)ccc1OCc1ccccc1 ZINC000442246859 1025224499 /nfs/dbraw/zinc/22/44/99/1025224499.db2.gz ZHBZENZQVWGQLJ-UHFFFAOYSA-N -1 1 331.437 3.892 20 30 EHEDMM CC(C)(C#N)CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000566280908 1026394169 /nfs/dbraw/zinc/39/41/69/1026394169.db2.gz WHVVOMKWQLMESS-UHFFFAOYSA-N -1 1 331.597 3.686 20 30 EHEDMM C=CCCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431451621 1026601454 /nfs/dbraw/zinc/60/14/54/1026601454.db2.gz ZBXKWYXUAXMBDA-UHFFFAOYSA-N -1 1 349.022 3.822 20 30 EHEDMM Cc1noc2nc(C(C)C)cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c12 ZINC000523957799 1028742451 /nfs/dbraw/zinc/74/24/51/1028742451.db2.gz JESUVMZSFQHVQR-CQSZACIVSA-N -1 1 349.394 3.552 20 30 EHEDMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000525372243 1029820560 /nfs/dbraw/zinc/82/05/60/1029820560.db2.gz YMGFQOJMIJEXLT-UHFFFAOYSA-N -1 1 346.477 3.573 20 30 EHEDMM COC(=O)[C@@H]1C[C@H](Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)C1(C)C ZINC001168336192 1029991398 /nfs/dbraw/zinc/99/13/98/1029991398.db2.gz DHDQBTHBFXRDDY-PURLSAJXSA-N -1 1 344.333 3.513 20 30 EHEDMM C=CCCCS(=O)(=O)[N-]c1cccc(-c2cccc(OCC)c2)n1 ZINC000427741941 1030277922 /nfs/dbraw/zinc/27/79/22/1030277922.db2.gz FFSUBKYCNLFBAC-UHFFFAOYSA-N -1 1 346.452 3.855 20 30 EHEDMM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190740056 1030931377 /nfs/dbraw/zinc/93/13/77/1030931377.db2.gz CONUFJMCKZTERQ-UHFFFAOYSA-N -1 1 335.190 3.843 20 30 EHEDMM N#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCCC1 ZINC000161146132 1031357455 /nfs/dbraw/zinc/35/74/55/1031357455.db2.gz FBNRPTSNZFKQEC-CYBMUJFWSA-N -1 1 347.267 3.744 20 30 EHEDMM CCCn1ccc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc21 ZINC000063476111 1033376626 /nfs/dbraw/zinc/37/66/26/1033376626.db2.gz MVPHVPNPKIVSCE-UHFFFAOYSA-N -1 1 339.420 3.724 20 30 EHEDMM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000594695480 1033513730 /nfs/dbraw/zinc/51/37/30/1033513730.db2.gz RHSGMGDMDVJNIU-AWEZNQCLSA-N -1 1 344.436 3.845 20 30 EHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(-c2ccccc2)cs1 ZINC000188320316 1034345037 /nfs/dbraw/zinc/34/50/37/1034345037.db2.gz ZWMLPLLMUJUHLP-GFCCVEGCSA-N -1 1 349.415 3.878 20 30 EHEDMM Cc1c(Cl)cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000604457380 1034391523 /nfs/dbraw/zinc/39/15/23/1034391523.db2.gz CAPGBNKSPCPGFD-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)c1 ZINC000236237418 1034684031 /nfs/dbraw/zinc/68/40/31/1034684031.db2.gz NVNMEJISPIJHBU-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)c1 ZINC000589168806 1036270871 /nfs/dbraw/zinc/27/08/71/1036270871.db2.gz FFWNMNNKAKQFEJ-UHFFFAOYSA-N -1 1 344.330 3.652 20 30 EHEDMM CCCOc1cc(OC)ccc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000190774337 1036292763 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N#Cc1ccc([O-])c(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)c1 ZINC000179733298 1123844076 /nfs/dbraw/zinc/84/40/76/1123844076.db2.gz ZRDVYTTVEGAVPF-UHFFFAOYSA-N -1 1 338.754 3.560 20 30 EHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619694631 1125386947 /nfs/dbraw/zinc/38/69/47/1125386947.db2.gz HSADFUMKRVGAJP-UHFFFAOYSA-N -1 1 326.421 3.672 20 30 EHEDMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000317266371 1129441996 /nfs/dbraw/zinc/44/19/96/1129441996.db2.gz NBGYYMHRMZKDGT-UHFFFAOYSA-N -1 1 334.828 3.965 20 30 EHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000156511126 1129722011 /nfs/dbraw/zinc/72/20/11/1129722011.db2.gz UOOCDKGGYYEJCX-UHFFFAOYSA-N -1 1 338.388 3.526 20 30 EHEDMM Cc1ccsc1C(Cc1ccccc1)=NNc1nc(C)cc(=O)[n-]1 ZINC000735969496 1131395184 /nfs/dbraw/zinc/39/51/84/1131395184.db2.gz LJNYHALYGVKWGP-UHFFFAOYSA-N -1 1 338.436 3.919 20 30 EHEDMM FC(F)C1CC(=Nn2c(=S)[n-]nc2SCc2ccccc2)C1 ZINC000766014338 1129760905 /nfs/dbraw/zinc/76/09/05/1129760905.db2.gz CTDYTCPNHBPTID-UHFFFAOYSA-N -1 1 340.424 3.738 20 30 EHEDMM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000732268852 1130908364 /nfs/dbraw/zinc/90/83/64/1130908364.db2.gz DCXUTOVDXDWINE-LJQANCHMSA-N -1 1 329.359 3.695 20 30 EHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cc(Br)ccc1F ZINC000733805836 1131080548 /nfs/dbraw/zinc/08/05/48/1131080548.db2.gz OQEFALXSFQTGQW-MKMNVTDBSA-N -1 1 335.128 3.910 20 30 EHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cc(Br)ccc1F ZINC000733805840 1131080814 /nfs/dbraw/zinc/08/08/14/1131080814.db2.gz OQEFALXSFQTGQW-NSIKDUERSA-N -1 1 335.128 3.910 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc(Oc3cnccn3)cc1)O2 ZINC000743057007 1131847463 /nfs/dbraw/zinc/84/74/63/1131847463.db2.gz PDNDYIJTQIVTGZ-RQZCQDPDSA-N -1 1 346.342 3.899 20 30 EHEDMM C=C(C)C[C@@H](C)C(=O)OCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000767698028 1133036561 /nfs/dbraw/zinc/03/65/61/1133036561.db2.gz ROQGQVQBUXMEGS-GFCCVEGCSA-N -1 1 330.380 3.707 20 30 EHEDMM O=C(/C=C/c1ccc(Br)cc1[N+](=O)[O-])c1ccc([O-])cc1 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1 333.727 3.859 20 30 EHEDMM O=C(C(=O)N([O-])Cc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC001184347812 1133930302 /nfs/dbraw/zinc/93/03/02/1133930302.db2.gz FPMGJKDRMLXLQT-UHFFFAOYSA-N -1 1 342.153 3.733 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(C#N)c(F)c2)ccc1Cl ZINC001185531654 1134104583 /nfs/dbraw/zinc/10/45/83/1134104583.db2.gz GHHIYUUNQAYUJM-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM O=C([O-])c1ccccc1N=NC(C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000792939068 1134820964 /nfs/dbraw/zinc/82/09/64/1134820964.db2.gz CZCIAQKIZKHULD-CYBMUJFWSA-N -1 1 342.370 3.767 20 30 EHEDMM C#CC1(NC(=O)c2ccccc2C(=O)c2ccc([O-])cc2)CCCCC1 ZINC001191518259 1134878460 /nfs/dbraw/zinc/87/84/60/1134878460.db2.gz OUWYOZVFJQNDJL-UHFFFAOYSA-N -1 1 347.414 3.689 20 30 EHEDMM N#Cc1ccc(NC(=O)c2ccc(OC3CCCCC3)nc2)c([O-])c1 ZINC001192097426 1134969483 /nfs/dbraw/zinc/96/94/83/1134969483.db2.gz GCVIIFDPBXMNDM-UHFFFAOYSA-N -1 1 337.379 3.623 20 30 EHEDMM Cc1cccnc1CNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196298423 1135544942 /nfs/dbraw/zinc/54/49/42/1135544942.db2.gz UWZATUWUACKPOW-UHFFFAOYSA-N -1 1 343.386 3.564 20 30 EHEDMM N#Cc1oc2ccccc2c1[N-]C(=O)c1cccnc1OC(F)(F)F ZINC001199371976 1135901099 /nfs/dbraw/zinc/90/10/99/1135901099.db2.gz LEASBRBUTVDKSC-UHFFFAOYSA-N -1 1 347.252 3.850 20 30 EHEDMM C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1cccc(C(=O)[O-])c1 ZINC000776183005 1136016750 /nfs/dbraw/zinc/01/67/50/1136016750.db2.gz GHSAQBVSLRAJSK-OAHLLOKOSA-N -1 1 337.423 3.695 20 30 EHEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000109195627 1136225467 /nfs/dbraw/zinc/22/54/67/1136225467.db2.gz KRLLIXKMMNPAGI-DAFODLJHSA-N -1 1 343.688 3.649 20 30 EHEDMM CC(C)CN(Cc1ccc(C#N)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338939565 1136391698 /nfs/dbraw/zinc/39/16/98/1136391698.db2.gz UJPCPAIJCXGMOF-UHFFFAOYSA-N -1 1 339.395 3.830 20 30 EHEDMM CC(=NN=c1nc[nH]c2sc(C)c(C)c21)c1cc(C(=O)[O-])cs1 ZINC000814725660 1136499076 /nfs/dbraw/zinc/49/90/76/1136499076.db2.gz AJIOWNUWAMSRSW-UHFFFAOYSA-N -1 1 346.437 3.904 20 30 EHEDMM C[C@@H](C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C1CCCCC1 ZINC000814846935 1136515157 /nfs/dbraw/zinc/51/51/57/1136515157.db2.gz SWLQZUAUZBVJLQ-LBPRGKRZSA-N -1 1 344.463 3.901 20 30 EHEDMM C=CCn1cc(CN[C@H](CC)c2cc(Cl)cc(Cl)c2[O-])nn1 ZINC000818346167 1136873713 /nfs/dbraw/zinc/87/37/13/1136873713.db2.gz AFYVYTZFPCGZTO-CQSZACIVSA-N -1 1 341.242 3.717 20 30 EHEDMM COc1cc(OC)c(/C=C\C(=O)c2cc(C)ccc2[O-])c(OC)c1 ZINC000794699750 1137235901 /nfs/dbraw/zinc/23/59/01/1137235901.db2.gz FZSFMQNSYICPKM-VURMDHGXSA-N -1 1 328.364 3.623 20 30 EHEDMM Cc1c(N[C@H](C)c2cccc(C#N)c2[O-])cccc1N1CCOC1=O ZINC000866332583 1137346461 /nfs/dbraw/zinc/34/64/61/1137346461.db2.gz DAJYVFWVNDTQLB-CYBMUJFWSA-N -1 1 337.379 3.702 20 30 EHEDMM CC(=O)c1cc(C(=O)Nc2sc3ccccc3c2C#N)ccc1[O-] ZINC001148657786 1137431435 /nfs/dbraw/zinc/43/14/35/1137431435.db2.gz VRPQOEZVPZSHQP-UHFFFAOYSA-N -1 1 336.372 3.933 20 30 EHEDMM N#CCCC[C@H]([NH2+]Cc1nnc(-c2ccccc2O)o1)c1ccccc1 ZINC000878648438 1137723597 /nfs/dbraw/zinc/72/35/97/1137723597.db2.gz OBSPIDDCLABJFG-KRWDZBQOSA-N -1 1 348.406 3.967 20 30 EHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000055640167 1138055903 /nfs/dbraw/zinc/05/59/03/1138055903.db2.gz ICETVZXYWUGCPK-UHFFFAOYSA-N -1 1 344.436 3.787 20 30 EHEDMM CC(=O)c1cc(Cl)cc(CN(CCC#N)Cc2ccccn2)c1[O-] ZINC000177298358 1139611619 /nfs/dbraw/zinc/61/16/19/1139611619.db2.gz ROTAMEVDYRERHK-UHFFFAOYSA-N -1 1 343.814 3.559 20 30 EHEDMM N#CCCN(Cc1ccco1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182026721 1139946339 /nfs/dbraw/zinc/94/63/39/1139946339.db2.gz CLURXSNRIDXDER-UHFFFAOYSA-N -1 1 338.285 3.560 20 30 EHEDMM Cc1c2cc(C(C)N=Nc3ccc(C)cn3)cnc2sc1C(=O)[O-] ZINC000736125641 600055518 /nfs/dbraw/zinc/05/55/18/600055518.db2.gz KAGRWTUGWFOARK-UHFFFAOYSA-N -1 1 340.408 3.842 20 30 EHEDMM O=C([O-])c1ccc2[nH]cc(C=NNc3cc(F)c(F)cc3F)c2c1 ZINC000740191307 600567669 /nfs/dbraw/zinc/56/76/69/600567669.db2.gz ZGZJNLCHLHMDBP-UHFFFAOYSA-N -1 1 333.269 3.729 20 30 EHEDMM O=C([O-])NC[C@@H]1CCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1O ZINC000740619734 603317490 /nfs/dbraw/zinc/31/74/90/603317490.db2.gz ICBWWVAKYYRDDK-KBJYVAKTSA-N -1 1 331.199 3.554 20 30 EHEDMM N#Cc1cccc(C2(N[C@H]3C[C@@H](NC(=O)[O-])c4ccccc43)CC2)c1 ZINC000833978691 605810397 /nfs/dbraw/zinc/81/03/97/605810397.db2.gz SQPBFZAVEHNFLO-MSOLQXFVSA-N -1 1 333.391 3.591 20 30 EHEDMM CCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000825341703 608092532 /nfs/dbraw/zinc/09/25/32/608092532.db2.gz IEYSRNOQXFMXCV-VOTSOKGWSA-N -1 1 340.408 3.613 20 30 EHEDMM CCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000825341703 608092533 /nfs/dbraw/zinc/09/25/33/608092533.db2.gz IEYSRNOQXFMXCV-VOTSOKGWSA-N -1 1 340.408 3.613 20 30 EHEDMM C=CCCCSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000735413147 944646973 /nfs/dbraw/zinc/64/69/73/944646973.db2.gz OXZVBJFVKWMEFO-UHFFFAOYSA-N -1 1 329.351 3.647 20 30 EHEDMM CC(N=Nc1ccc(C(=O)[O-])c(F)c1)c1cnn(C2CCCC2)c1 ZINC000835008522 979244223 /nfs/dbraw/zinc/24/42/23/979244223.db2.gz GMQUFWZYVKGSLU-UHFFFAOYSA-N -1 1 330.363 3.672 20 30 EHEDMM C=CC[C@@H]1CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000890556525 1014714471 /nfs/dbraw/zinc/71/44/71/1014714471.db2.gz LNGINZCRUORWLP-CYBMUJFWSA-N -1 1 332.400 3.530 20 30 EHEDMM C#CCN(Cc1cc(C(=O)[O-])ccc1OC)[C@H]1CCc2ccccc21 ZINC001588469980 983504095 /nfs/dbraw/zinc/50/40/95/983504095.db2.gz XLKVAISKLZOTLF-IBGZPJMESA-N -1 1 335.403 3.516 20 30 EHEDMM C=CC1(CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CCCCC1 ZINC001588718562 983957017 /nfs/dbraw/zinc/95/70/17/983957017.db2.gz CTSUMPBFXLGKGJ-UHFFFAOYSA-N -1 1 327.384 3.726 20 30 EHEDMM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1OC(F)F ZINC001593195085 994144000 /nfs/dbraw/zinc/14/40/00/994144000.db2.gz PNJBXXGMQMCZNQ-MEDUHNTESA-N -1 1 346.333 3.636 20 30 EHEDMM C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593208214 994221509 /nfs/dbraw/zinc/22/15/09/994221509.db2.gz HAEJLTCHTUQXOR-OCCSQVGLSA-N -1 1 329.425 3.927 20 30 EHEDMM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000189948511 1016794137 /nfs/dbraw/zinc/79/41/37/1016794137.db2.gz APUUXHWQMQXXJN-SFHVURJKSA-N -1 1 336.391 3.640 20 30 EHEDMM Cc1ccc([O-])c(C(=O)/C=C\c2ccc(N3CCC(O)CC3)cc2)c1 ZINC000905072476 1032342011 /nfs/dbraw/zinc/34/20/11/1032342011.db2.gz FFEVLYXRKMGSIZ-UITAMQMPSA-N -1 1 337.419 3.558 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1 ZINC000614368422 1018862968 /nfs/dbraw/zinc/86/29/68/1018862968.db2.gz OUNDLGMHBJNQHG-FQEVSTJZSA-N -1 1 332.403 3.946 20 30 EHEDMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(C#N)c2)c1 ZINC000182901379 1019787413 /nfs/dbraw/zinc/78/74/13/1019787413.db2.gz AIYKYLLDGLBJNT-UHFFFAOYSA-N -1 1 331.169 3.587 20 30 EHEDMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000279991464 1019973081 /nfs/dbraw/zinc/97/30/81/1019973081.db2.gz RBKZGSCXPHOIPI-AWEZNQCLSA-N -1 1 344.436 3.731 20 30 EHEDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(C)n1 ZINC000593279904 1032869152 /nfs/dbraw/zinc/86/91/52/1032869152.db2.gz DLFCHCWUXLLTCA-UHFFFAOYSA-N -1 1 343.452 3.609 20 30 EHEDMM C=C[C@@H](C)NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430588250 1020811187 /nfs/dbraw/zinc/81/11/87/1020811187.db2.gz CLUWFLIWSPGYQW-CYBMUJFWSA-N -1 1 334.375 3.625 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1F ZINC000427348384 1021335092 /nfs/dbraw/zinc/33/50/92/1021335092.db2.gz WJZMQZSZYZGWNF-UHFFFAOYSA-N -1 1 334.347 3.515 20 30 EHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000520421630 1022224620 /nfs/dbraw/zinc/22/46/20/1022224620.db2.gz WKZWNFIBLXRFPF-UHFFFAOYSA-N -1 1 348.811 3.577 20 30 EHEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1cncc(Br)c1 ZINC000588476937 1023799269 /nfs/dbraw/zinc/79/92/69/1023799269.db2.gz RHAFEUVOQTZCCT-XGICHPGQSA-N -1 1 330.181 3.762 20 30 EHEDMM O=C(/C=C\c1c(C2CC2)nc2sccn12)c1cc(O)ccc1[O-] ZINC000255424079 1023863509 /nfs/dbraw/zinc/86/35/09/1023863509.db2.gz MQKIQVNILYEUJS-XQRVVYSFSA-N -1 1 326.377 3.581 20 30 EHEDMM CCc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c1 ZINC000435136876 1024648334 /nfs/dbraw/zinc/64/83/34/1024648334.db2.gz IEHDNUCFYFVLNI-UHFFFAOYSA-N -1 1 344.436 3.709 20 30 EHEDMM COc1ccc2occ(C([O-])=C(C#N)c3nc4ccccc4n3C)c2c1 ZINC000442022486 1025142636 /nfs/dbraw/zinc/14/26/36/1025142636.db2.gz BHTJLNZOUPVGDY-CQSZACIVSA-N -1 1 345.358 3.818 20 30 EHEDMM N#Cc1ccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c(F)c1 ZINC000127021806 1025363428 /nfs/dbraw/zinc/36/34/28/1025363428.db2.gz ODOOPIVLYPZGLI-UHFFFAOYSA-N -1 1 329.278 3.504 20 30 EHEDMM CCC(CC)CN(CCC#N)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442954636 1025607475 /nfs/dbraw/zinc/60/74/75/1025607475.db2.gz GQNCEMIGFQEMLG-UHFFFAOYSA-N -1 1 338.835 3.846 20 30 EHEDMM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442980740 1025644165 /nfs/dbraw/zinc/64/41/65/1025644165.db2.gz SBPNVGDEIMAXAA-MRXNPFEDSA-N -1 1 328.799 3.668 20 30 EHEDMM COc1cc(/C=C2\Cc3cc([O-])ccc3C2=O)c(SC)cc1OC ZINC000588535256 1026787856 /nfs/dbraw/zinc/78/78/56/1026787856.db2.gz UOZIYDBRSSFDTM-NTUHNPAUSA-N -1 1 342.416 3.954 20 30 EHEDMM N#CC(=C([O-])c1cccc(-n2cccn2)c1)c1nc2ccccc2s1 ZINC000342716313 1026817626 /nfs/dbraw/zinc/81/76/26/1026817626.db2.gz BUOLLWSFGZMQJR-HNNXBMFYSA-N -1 1 344.399 3.972 20 30 EHEDMM CC(C)(C)c1cccc2c1OCCN2C(=O)c1cc([O-])cc(C#N)c1 ZINC000614894285 1029066096 /nfs/dbraw/zinc/06/60/96/1029066096.db2.gz WQORHCKSINDZRZ-UHFFFAOYSA-N -1 1 336.391 3.601 20 30 EHEDMM CC(C)Oc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(Cl)c1 ZINC000614896408 1029072752 /nfs/dbraw/zinc/07/27/52/1029072752.db2.gz MNWBCWVBJKTDBN-UHFFFAOYSA-N -1 1 330.771 3.957 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1Cl ZINC000168594922 1031485072 /nfs/dbraw/zinc/48/50/72/1031485072.db2.gz WTRQBRYQFDZDRJ-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM COCCOc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377459 1034115137 /nfs/dbraw/zinc/11/51/37/1034115137.db2.gz KZGHDDGLXPCEKX-HNNXBMFYSA-N -1 1 342.420 3.536 20 30 EHEDMM N#CC(=C([O-])c1c[nH]c(C(F)(F)F)c1)c1nc(C2CC2)cs1 ZINC000647380000 1034123704 /nfs/dbraw/zinc/12/37/04/1034123704.db2.gz BUMXYQVYPSNQQH-SECBINFHSA-N -1 1 325.315 3.857 20 30 EHEDMM COCc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1C#N ZINC000530144598 1035004850 /nfs/dbraw/zinc/00/48/50/1035004850.db2.gz HXAIXWKANBOFOK-UHFFFAOYSA-N -1 1 344.436 3.629 20 30 EHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000188610440 1035358276 /nfs/dbraw/zinc/35/82/76/1035358276.db2.gz DZQLKSQMLIDLPY-CQSZACIVSA-N -1 1 343.386 3.817 20 30 EHEDMM CSc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)c2ccccn12 ZINC000174015037 1035835222 /nfs/dbraw/zinc/83/52/22/1035835222.db2.gz NXKYQDPUFAQEPE-NSHDSACASA-N -1 1 348.387 3.687 20 30 EHEDMM CC(C)Oc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000589168386 1036269843 /nfs/dbraw/zinc/26/98/43/1036269843.db2.gz AQDPMDCYIINOMB-UHFFFAOYSA-N -1 1 330.771 3.957 20 30 EHEDMM Cc1ccc(C[C@@H]2CCCN(C(=O)c3cc([O-])cc(C#N)c3)C2)cc1 ZINC000589175138 1036272438 /nfs/dbraw/zinc/27/24/38/1036272438.db2.gz MTBONHSYZOKULJ-KRWDZBQOSA-N -1 1 334.419 3.667 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCOC3)n1 ZINC000659114806 1037258253 /nfs/dbraw/zinc/25/82/53/1037258253.db2.gz HJKACGAVMRLSON-HNNXBMFYSA-N -1 1 326.421 3.829 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(Cl)cc1F ZINC000573630952 1037665656 /nfs/dbraw/zinc/66/56/56/1037665656.db2.gz OWPWPDLQJBUJPB-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM N#Cc1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)c(OC(F)F)c1 ZINC000436260266 1038626672 /nfs/dbraw/zinc/62/66/72/1038626672.db2.gz LXRILEHJHOVHCS-UHFFFAOYSA-N -1 1 349.362 3.825 20 30 EHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000462106350 1038752960 /nfs/dbraw/zinc/75/29/60/1038752960.db2.gz YCWBATFICHRCFV-UHFFFAOYSA-N -1 1 343.452 3.798 20 30 EHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1CC ZINC000488278670 1039054004 /nfs/dbraw/zinc/05/40/04/1039054004.db2.gz JPEBQLZQDIPIRD-UHFFFAOYSA-N -1 1 343.452 3.743 20 30 EHEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(-c2ccc(F)cc2)o1 ZINC000029388950 1040567257 /nfs/dbraw/zinc/56/72/57/1040567257.db2.gz JCDRZVNCPCTICS-UHFFFAOYSA-N -1 1 340.236 3.859 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccccc2OC2CCCC2)c1 ZINC000614296997 1040943954 /nfs/dbraw/zinc/94/39/54/1040943954.db2.gz GXMVHNAYTAGISB-UHFFFAOYSA-N -1 1 336.391 3.515 20 30 EHEDMM N#Cc1ccccc1C(=O)/C=C/c1ccc([O-])c(Br)c1 ZINC000194590676 1041299046 /nfs/dbraw/zinc/29/90/46/1041299046.db2.gz GUJHORQSEIZCJE-FNORWQNLSA-N -1 1 328.165 3.922 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000303225060 1042918622 /nfs/dbraw/zinc/91/86/22/1042918622.db2.gz WGPBZNIUYSSLSK-UHFFFAOYSA-N -1 1 335.400 3.890 20 30 EHEDMM N#CCCSc1ccc(C(F)(F)F)cc1[N-]C(=O)c1cocn1 ZINC000108242001 1042994805 /nfs/dbraw/zinc/99/48/05/1042994805.db2.gz PTLWDQOKPDNFGN-UHFFFAOYSA-N -1 1 341.314 3.951 20 30 EHEDMM N#CC(=C([O-])c1cn[nH]c1-c1ccsc1)c1nc2ccccc2o1 ZINC000187289604 1043928828 /nfs/dbraw/zinc/92/88/28/1043928828.db2.gz RAJDFTKTBPDUFE-LLVKDONJSA-N -1 1 334.360 3.769 20 30 EHEDMM N#C[C@@H]([N-]C(=O)[C@H](F)C(F)(F)F)c1cccc(Cl)c1Cl ZINC000764508145 1127500990 /nfs/dbraw/zinc/50/09/90/1127500990.db2.gz RIPMHJYUFMUMIL-APPZFPTMSA-N -1 1 329.080 3.575 20 30 EHEDMM N#Cc1cnc(NCc2cccc(Br)c2[O-])c(Cl)c1 ZINC000764933915 1127555093 /nfs/dbraw/zinc/55/50/93/1127555093.db2.gz FWMNKULOMHTPGX-UHFFFAOYSA-N -1 1 338.592 3.687 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCCSC[C@H]2c2ccccc2)cc1[O-] ZINC000921645158 1128404381 /nfs/dbraw/zinc/40/43/81/1128404381.db2.gz UMZGQNLMFFBMOJ-KRWDZBQOSA-N -1 1 338.432 3.584 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCCSC[C@@H]2c2ccccc2)cc1[O-] ZINC000921645160 1128404512 /nfs/dbraw/zinc/40/45/12/1128404512.db2.gz UMZGQNLMFFBMOJ-QGZVFWFLSA-N -1 1 338.432 3.584 20 30 EHEDMM C=CCCC[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000921646787 1128419480 /nfs/dbraw/zinc/41/94/80/1128419480.db2.gz WFFXZAWCRLBDAQ-KRWDZBQOSA-N -1 1 337.423 3.887 20 30 EHEDMM O=C(C=Cc1ccc([O-])c(Br)c1)c1c[nH]c2ncccc12 ZINC000761813673 1120960644 /nfs/dbraw/zinc/96/06/44/1120960644.db2.gz TUOVHTGGIOOHAJ-HYXAFXHYSA-N -1 1 343.180 3.927 20 30 EHEDMM Cc1cn2c(/C=C3/Oc4cc([O-])cc(C)c4C3=O)c(C)nc2s1 ZINC000915989037 1122013673 /nfs/dbraw/zinc/01/36/73/1122013673.db2.gz UWLUXIBIRYRLCJ-MKMNVTDBSA-N -1 1 326.377 3.643 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)O2 ZINC000915988976 1122013865 /nfs/dbraw/zinc/01/38/65/1122013865.db2.gz RCXRKGKCRHTSAS-NSIKDUERSA-N -1 1 331.711 3.878 20 30 EHEDMM CCCCCCCCc1nnc([N-]C(=O)c2cnsn2)s1 ZINC000918319957 1122790742 /nfs/dbraw/zinc/79/07/42/1122790742.db2.gz DGTTUPNCYQUNBZ-UHFFFAOYSA-N -1 1 325.463 3.545 20 30 EHEDMM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000616035254 1123934690 /nfs/dbraw/zinc/93/46/90/1123934690.db2.gz WPZZXAXSYMHUQL-NSHDSACASA-N -1 1 348.324 3.644 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc(C(F)(F)F)c1 ZINC000616960173 1124059727 /nfs/dbraw/zinc/05/97/27/1124059727.db2.gz BZIJKZDEUUJTHJ-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000124576931 1129617449 /nfs/dbraw/zinc/61/74/49/1129617449.db2.gz LIDYXUUCNBDHQA-UHFFFAOYSA-N -1 1 328.799 3.970 20 30 EHEDMM CC(=NNc1cn[nH]c(=O)c1Cl)c1cc(Cl)c(Cl)cc1[O-] ZINC000766001704 1129668100 /nfs/dbraw/zinc/66/81/00/1129668100.db2.gz HHPGRURELZFFFT-UHFFFAOYSA-N -1 1 347.589 3.684 20 30 EHEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000733772090 1131077839 /nfs/dbraw/zinc/07/78/39/1131077839.db2.gz XICXAGLULVUZAR-CQSZACIVSA-N -1 1 344.798 3.657 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1nccn1Cc1ccccc1)O2 ZINC000734096315 1131192604 /nfs/dbraw/zinc/19/26/04/1131192604.db2.gz YOSDHISRJBWHOB-GZTJUZNOSA-N -1 1 332.359 3.562 20 30 EHEDMM C=CCCC[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000736589452 1131426872 /nfs/dbraw/zinc/42/68/72/1131426872.db2.gz HTPBCRTWXSYPSI-UHFFFAOYSA-N -1 1 325.408 3.727 20 30 EHEDMM C=CCCC[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000736589452 1131426875 /nfs/dbraw/zinc/42/68/75/1131426875.db2.gz HTPBCRTWXSYPSI-UHFFFAOYSA-N -1 1 325.408 3.727 20 30 EHEDMM O=c1[n-]c(=S)[nH]c(Nc2cccc(O)c2)c1N=Cc1ccccc1 ZINC001174887921 1132482329 /nfs/dbraw/zinc/48/23/29/1132482329.db2.gz JJARFURDQCXEBU-VCHYOVAHSA-N -1 1 338.392 3.671 20 30 EHEDMM C=CCN1C(=O)/C(=C/c2cc(Cl)cc(F)c2[O-])SC1=S ZINC000768268926 1133119040 /nfs/dbraw/zinc/11/90/40/1133119040.db2.gz JXCPCJFIALQFOG-YHYXMXQVSA-N -1 1 329.805 3.572 20 30 EHEDMM CC(=NN=c1nc[nH]c2sc3c(c21)CCC3)c1sccc1[O-] ZINC000769775240 1133339743 /nfs/dbraw/zinc/33/97/43/1133339743.db2.gz DSZPDSSNSQTHAP-UHFFFAOYSA-N -1 1 330.438 3.783 20 30 EHEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000769931940 1133368630 /nfs/dbraw/zinc/36/86/30/1133368630.db2.gz GCAORZLZYAJBOJ-HOCLYGCPSA-N -1 1 340.810 3.958 20 30 EHEDMM CCC(CC)(C(=O)N([O-])C(=N)c1ccccc1N)c1ccccc1 ZINC001181155222 1133460522 /nfs/dbraw/zinc/46/05/22/1133460522.db2.gz GKUGPZGTCCIFDD-UHFFFAOYSA-N -1 1 325.412 3.570 20 30 EHEDMM Cc1nc(-c2cccc(C(=O)Nc3ccc(C#N)cc3[O-])c2)cs1 ZINC001188844756 1134516874 /nfs/dbraw/zinc/51/68/74/1134516874.db2.gz SFIOHCWEKDDEKC-UHFFFAOYSA-N -1 1 335.388 3.948 20 30 EHEDMM C=CCCCCCC[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001190108327 1134656882 /nfs/dbraw/zinc/65/68/82/1134656882.db2.gz JCQLQEAPSBWOLV-UHFFFAOYSA-N -1 1 337.272 3.803 20 30 EHEDMM N#Cc1c([O-])csc1NC(=O)NCc1ccc(Cl)cc1Cl ZINC001190070154 1134657669 /nfs/dbraw/zinc/65/76/69/1134657669.db2.gz VEDWORQOELPKMV-UHFFFAOYSA-N -1 1 342.207 3.954 20 30 EHEDMM CCCCc1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1 ZINC001191252482 1134823443 /nfs/dbraw/zinc/82/34/43/1134823443.db2.gz BRFLGFLAOBGQAL-UHFFFAOYSA-N -1 1 328.437 3.896 20 30 EHEDMM CCCCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C#N)c2)cc1 ZINC001191249594 1134823760 /nfs/dbraw/zinc/82/37/60/1134823760.db2.gz WPORQLSTKYRKDS-UHFFFAOYSA-N -1 1 332.400 3.841 20 30 EHEDMM N#Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c([O-])c1 ZINC001191370838 1134858445 /nfs/dbraw/zinc/85/84/45/1134858445.db2.gz LLJZTIVHYAIECD-UHFFFAOYSA-N -1 1 338.754 3.560 20 30 EHEDMM N#Cc1cc(F)c(C(=O)[N-]c2cc(Cl)cc3ncoc32)c(F)c1 ZINC001191935989 1134943885 /nfs/dbraw/zinc/94/38/85/1134943885.db2.gz KQODKRBVIFOVDI-UHFFFAOYSA-N -1 1 333.681 3.883 20 30 EHEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2c(F)cccc2C(C)C)c1 ZINC001193689376 1135171511 /nfs/dbraw/zinc/17/15/11/1135171511.db2.gz POJPONMZBCDUKD-UHFFFAOYSA-N -1 1 348.399 3.630 20 30 EHEDMM C[C@H]1C[C@@H](CF)N(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C1 ZINC001196308945 1135540574 /nfs/dbraw/zinc/54/05/74/1135540574.db2.gz FTXGJGQMFRPUMH-UGSOOPFHSA-N -1 1 338.382 3.751 20 30 EHEDMM C[C@@H](NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)c1ccncc1 ZINC001196298627 1135544394 /nfs/dbraw/zinc/54/43/94/1135544394.db2.gz YKDUAUKPWQACHC-CQSZACIVSA-N -1 1 343.386 3.817 20 30 EHEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1C(F)(F)F ZINC000809624554 1135861932 /nfs/dbraw/zinc/86/19/32/1135861932.db2.gz NUBKGIXBHNIPIX-SNVBAGLBSA-N -1 1 334.297 3.774 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(CCc3ccccc3)CC2)c1 ZINC000776327348 1136155936 /nfs/dbraw/zinc/15/59/36/1136155936.db2.gz OTCKUWNIOGRMPP-UHFFFAOYSA-N -1 1 334.419 3.749 20 30 EHEDMM C#CCO[N-]C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000812782656 1136246453 /nfs/dbraw/zinc/24/64/53/1136246453.db2.gz CDSDILIDBIHRSH-UHFFFAOYSA-N -1 1 336.366 3.588 20 30 EHEDMM N#CC(=C([O-])C=Cc1cncc(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000813214170 1136303217 /nfs/dbraw/zinc/30/32/17/1136303217.db2.gz UCKNFOCLECPFJE-AORQRIRUSA-N -1 1 335.260 3.524 20 30 EHEDMM CC(=NNc1ccc(F)cc1F)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814686429 1136491379 /nfs/dbraw/zinc/49/13/79/1136491379.db2.gz FWMBCCYYOZPALI-LLVKDONJSA-N -1 1 334.322 3.653 20 30 EHEDMM Cc1ccc(N=NC(C)c2cc(C(=O)[O-])ccc2OC(C)C)nc1 ZINC000853301212 1136524856 /nfs/dbraw/zinc/52/48/56/1136524856.db2.gz VGGNZBRRJPQBJB-UHFFFAOYSA-N -1 1 327.384 3.712 20 30 EHEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC001136341388 1136993953 /nfs/dbraw/zinc/99/39/53/1136993953.db2.gz ZAWCBHXTAIZWJG-UHFFFAOYSA-N -1 1 331.799 3.883 20 30 EHEDMM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc([O-])c2F)cc1 ZINC001136666879 1137085950 /nfs/dbraw/zinc/08/59/50/1137085950.db2.gz HHDAFUZEVZAJAT-OAHLLOKOSA-N -1 1 326.371 3.823 20 30 EHEDMM N#Cc1c(=O)[n-]cc2c1CCCC2=NNc1cccc2c1CCCC2 ZINC000844577982 1137237474 /nfs/dbraw/zinc/23/74/74/1137237474.db2.gz PNPUVEVCYVZAOA-UHFFFAOYSA-N -1 1 332.407 3.690 20 30 EHEDMM CC(=NNc1cccc(F)n1)c1cc(Br)cc(F)c1[O-] ZINC000795008898 1137406406 /nfs/dbraw/zinc/40/64/06/1137406406.db2.gz SAAGHGJPEXHOIL-UHFFFAOYSA-N -1 1 342.143 3.664 20 30 EHEDMM CC(N=Nc1cccc(F)n1)c1cc(Br)cc(F)c1[O-] ZINC000795008898 1137406409 /nfs/dbraw/zinc/40/64/09/1137406409.db2.gz SAAGHGJPEXHOIL-UHFFFAOYSA-N -1 1 342.143 3.664 20 30 EHEDMM C[C@H](Nc1cccc([C@@H]2CCCC(=O)N2)c1)c1cccc(C#N)c1[O-] ZINC000886808200 1138146104 /nfs/dbraw/zinc/14/61/04/1138146104.db2.gz DZLBRESYEUFMFT-UGSOOPFHSA-N -1 1 335.407 3.778 20 30 EHEDMM CC(C)Oc1ccccc1[C@H](C)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736493390 600592920 /nfs/dbraw/zinc/59/29/20/600592920.db2.gz UDTYPQZRMRIKHB-IFXJQAMLSA-N -1 1 338.407 3.822 20 30 EHEDMM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826476039 608109707 /nfs/dbraw/zinc/10/97/07/608109707.db2.gz ZMCOLFNJDIAIGZ-OJLMPMFISA-N -1 1 334.404 3.628 20 30 EHEDMM CC1=CCC[C@@H](C)[C@@H]1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000824851539 608289205 /nfs/dbraw/zinc/28/92/05/608289205.db2.gz AAFCGMSVVAKAIA-VXGBXAGGSA-N -1 1 343.435 3.542 20 30 EHEDMM COc1c(Cl)cc(Cl)cc1C=NNc1ccc(C(=O)[O-])cn1 ZINC000763369930 978722065 /nfs/dbraw/zinc/72/20/65/978722065.db2.gz YTJNKSAREFNTKY-UHFFFAOYSA-N -1 1 340.166 3.541 20 30 EHEDMM CC(C)(C#N)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000846777553 979465764 /nfs/dbraw/zinc/46/57/64/979465764.db2.gz LKHWTZBSYNKSIW-KRWDZBQOSA-N -1 1 326.371 3.542 20 30 EHEDMM Cc1nc2ccccc2c(C)c1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029388389 1014809796 /nfs/dbraw/zinc/80/97/96/1014809796.db2.gz QJSFLUWEZSFPSM-UHFFFAOYSA-N -1 1 349.316 3.819 20 30 EHEDMM COC(=O)c1coc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000184790625 1032334890 /nfs/dbraw/zinc/33/48/90/1032334890.db2.gz DZKFGWSVHPQAAH-LLVKDONJSA-N -1 1 344.392 3.713 20 30 EHEDMM C#Cc1ccc(Nc2cc(C(=O)OC)cc(Br)c2[O-])cc1 ZINC001210114771 1017141333 /nfs/dbraw/zinc/14/13/33/1017141333.db2.gz HCCZEJPAFRUQDA-UHFFFAOYSA-N -1 1 346.180 3.666 20 30 EHEDMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])c1cccc(C#N)c1 ZINC000610366758 1018532739 /nfs/dbraw/zinc/53/27/39/1018532739.db2.gz VJZOVXPSYBQSCR-JTQLQIEISA-N -1 1 345.196 3.517 20 30 EHEDMM CC(C)C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000614366795 1018873931 /nfs/dbraw/zinc/87/39/31/1018873931.db2.gz BYBLABLRDAGARQ-GOSISDBHSA-N -1 1 348.406 3.657 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(F)(F)F ZINC000083536705 1019256846 /nfs/dbraw/zinc/25/68/46/1019256846.db2.gz RYVVHWPYXAJCCC-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000593188511 1032824558 /nfs/dbraw/zinc/82/45/58/1032824558.db2.gz KHWMXCUEOWHKIW-UHFFFAOYSA-N -1 1 338.473 3.674 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)sc1C ZINC000091018860 1023044774 /nfs/dbraw/zinc/04/47/74/1023044774.db2.gz SLSOTDWBHNORRB-UHFFFAOYSA-N -1 1 326.830 3.691 20 30 EHEDMM N#Cc1ccc(C(=O)NC2(c3c(Cl)cccc3Cl)CC2)cc1[O-] ZINC000443053804 1025691484 /nfs/dbraw/zinc/69/14/84/1025691484.db2.gz SMEJSRQERVOKMH-UHFFFAOYSA-N -1 1 347.201 3.990 20 30 EHEDMM N#CC(=C([O-])c1sccc1Br)c1nc2ccccc2[nH]1 ZINC000048520498 1027694520 /nfs/dbraw/zinc/69/45/20/1027694520.db2.gz LWIOVZHGAYGZNA-MRVPVSSYSA-N -1 1 346.209 3.877 20 30 EHEDMM N#Cc1ccsc1[N-]C(=O)c1c(F)ccc(Br)c1F ZINC000447205400 1030023962 /nfs/dbraw/zinc/02/39/62/1030023962.db2.gz ZYQKKBUOJLXIRO-UHFFFAOYSA-N -1 1 343.152 3.913 20 30 EHEDMM N#Cc1ccc(C(=O)NC2CC(F)(c3cccc(Cl)c3)C2)cc1[O-] ZINC000483013897 1030910414 /nfs/dbraw/zinc/91/04/14/1030910414.db2.gz HUXVMXABLTYNCG-UHFFFAOYSA-N -1 1 344.773 3.674 20 30 EHEDMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188388723 1034441474 /nfs/dbraw/zinc/44/14/74/1034441474.db2.gz YECHEDZARNKWDM-NSHDSACASA-N -1 1 348.324 3.644 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(F)c(Br)c2)n1 ZINC000076763234 1034737561 /nfs/dbraw/zinc/73/75/61/1034737561.db2.gz HNPLPZVPSPQXMJ-SECBINFHSA-N -1 1 339.189 3.843 20 30 EHEDMM CC[C@@H](C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000589169518 1036271202 /nfs/dbraw/zinc/27/12/02/1036271202.db2.gz XUKBQORPFOCUFN-KZULUSFZSA-N -1 1 348.406 3.657 20 30 EHEDMM CCCC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(OC)cc1 ZINC000589177687 1036275063 /nfs/dbraw/zinc/27/50/63/1036275063.db2.gz JYKFICIIMUSWIG-LJQANCHMSA-N -1 1 338.407 3.934 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(=Cc3ccccc3F)CC2)c1 ZINC000589189368 1036296819 /nfs/dbraw/zinc/29/68/19/1036296819.db2.gz TUYGKTSLEVYXAK-UHFFFAOYSA-N -1 1 336.366 3.723 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000589190860 1036298966 /nfs/dbraw/zinc/29/89/66/1036298966.db2.gz JSGORJNHXNNEDO-GOSISDBHSA-N -1 1 342.345 3.909 20 30 EHEDMM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c1Cl ZINC000464414669 1036418189 /nfs/dbraw/zinc/41/81/89/1036418189.db2.gz MZEOQAZROKOPHM-AWEZNQCLSA-N -1 1 349.283 3.909 20 30 EHEDMM N#Cc1ccc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)o1 ZINC000343099288 1036662943 /nfs/dbraw/zinc/66/29/43/1036662943.db2.gz CDCMXGXNWXGVCC-UHFFFAOYSA-N -1 1 330.756 3.575 20 30 EHEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000541888426 1036764345 /nfs/dbraw/zinc/76/43/45/1036764345.db2.gz IACWPSPHVGGSSG-KRWDZBQOSA-N -1 1 344.798 3.959 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000122763078 1037778514 /nfs/dbraw/zinc/77/85/14/1037778514.db2.gz XBWRPGSSIPFDOB-HNNXBMFYSA-N -1 1 336.420 3.744 20 30 EHEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccc2c(c1)CCO2 ZINC000014202690 1038650746 /nfs/dbraw/zinc/65/07/46/1038650746.db2.gz MVTRVXQUOAZZHB-DAFODLJHSA-N -1 1 345.192 3.986 20 30 EHEDMM C=CCn1cccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000488836320 1039424135 /nfs/dbraw/zinc/42/41/35/1039424135.db2.gz XLYVCIVVJXIBGD-UHFFFAOYSA-N -1 1 335.201 3.703 20 30 EHEDMM N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1[O-] ZINC000554822965 1039782781 /nfs/dbraw/zinc/78/27/81/1039782781.db2.gz AFCFUYVJUOOZFQ-REPLKXPHSA-N -1 1 332.403 3.815 20 30 EHEDMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1C ZINC000162466496 1040198472 /nfs/dbraw/zinc/19/84/72/1040198472.db2.gz YNRGFGQPRVXHLQ-NSHDSACASA-N -1 1 348.761 3.904 20 30 EHEDMM N#Cc1cc(F)cc(C2(c3nc(-c4ccc([O-])cc4F)no3)CC2)c1 ZINC000436874390 1040408348 /nfs/dbraw/zinc/40/83/48/1040408348.db2.gz QAGIFHJHWGJVMK-UHFFFAOYSA-N -1 1 339.301 3.672 20 30 EHEDMM N#Cc1ccc(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)cc1[O-] ZINC000490890204 1040803609 /nfs/dbraw/zinc/80/36/09/1040803609.db2.gz RRXCXTHVWIEXIJ-HNNXBMFYSA-N -1 1 348.324 3.730 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Nc3ccccc3)nc2)c1 ZINC000614298599 1040953949 /nfs/dbraw/zinc/95/39/49/1040953949.db2.gz VSEIHMZZMSYFON-UHFFFAOYSA-N -1 1 330.347 3.655 20 30 EHEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3cncc([O-])c3)cc2)cc1 ZINC000111583109 1128875190 /nfs/dbraw/zinc/87/51/90/1128875190.db2.gz CCXNOERORUZDQG-UHFFFAOYSA-N -1 1 331.331 3.703 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1F ZINC000194142886 1120824624 /nfs/dbraw/zinc/82/46/24/1120824624.db2.gz OUACIECRZYTVCC-UHFFFAOYSA-N -1 1 332.400 3.736 20 30 EHEDMM CC#CC[C@@H](CC)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234877536 1121008149 /nfs/dbraw/zinc/00/81/49/1121008149.db2.gz NQCPNAQMZVTOPR-SNVBAGLBSA-N -1 1 328.162 3.634 20 30 EHEDMM N#CCCn1cc(CN=Nc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000916240701 1122101079 /nfs/dbraw/zinc/10/10/79/1122101079.db2.gz KTOLKTGYVWNQFM-UHFFFAOYSA-N -1 1 332.363 3.699 20 30 EHEDMM CCCCn1ncc(NC(=O)c2cc([O-])cc(C#N)c2)c1C(C)C ZINC000616700269 1124026136 /nfs/dbraw/zinc/02/61/36/1124026136.db2.gz PNULNFFSLLPFPV-UHFFFAOYSA-N -1 1 326.400 3.636 20 30 EHEDMM CSc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1C ZINC000619463732 1125350382 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CC(C)Oc1ccccc1[C@@H](C)N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827063232 601296766 /nfs/dbraw/zinc/29/67/66/601296766.db2.gz XZYZYPWYZYHRTG-KUHUBIRLSA-N -1 1 338.407 3.822 20 30 EHEDMM CCC[C@H](C)C(CC)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000821016395 606237299 /nfs/dbraw/zinc/23/72/99/606237299.db2.gz VWXRUFWDLQCRIU-NSHDSACASA-N -1 1 333.440 3.667 20 30 EHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2cc(O)ccc2c1 ZINC000822922502 606392702 /nfs/dbraw/zinc/39/27/02/606392702.db2.gz GSUKIIRMYFBVRG-ALCCZGGFSA-N -1 1 348.387 3.683 20 30 EHEDMM CC1=CCC[C@H](C)[C@@H]1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000824851536 608289188 /nfs/dbraw/zinc/28/91/88/608289188.db2.gz AAFCGMSVVAKAIA-NWDGAFQWSA-N -1 1 343.435 3.542 20 30 EHEDMM O=C(C=Cc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826400139 948214290 /nfs/dbraw/zinc/21/42/90/948214290.db2.gz QHUIQFKZCWUZBF-PLNGDYQASA-N -1 1 334.763 3.617 20 30 EHEDMM O=C(C=Cc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826400139 948214303 /nfs/dbraw/zinc/21/43/03/948214303.db2.gz 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ZINC000340246191 1016777055 /nfs/dbraw/zinc/77/70/55/1016777055.db2.gz VDUADPKGZABIJW-OAHLLOKOSA-N -1 1 341.374 3.613 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(COC)cc2)c1 ZINC000537037837 1032496702 /nfs/dbraw/zinc/49/67/02/1032496702.db2.gz DIEYNMUQCAJEGY-UHFFFAOYSA-N -1 1 347.436 3.589 20 30 EHEDMM N#CC(=C([O-])c1ccc2c(c1)COC2)c1nc2cc(F)ccc2s1 ZINC000592974577 1032619793 /nfs/dbraw/zinc/61/97/93/1032619793.db2.gz UMYCHDUVGKJBBH-AWEZNQCLSA-N -1 1 338.363 3.956 20 30 EHEDMM N#Cc1ccc(Oc2ccc(C(=O)Nc3c([O-])cccc3F)cc2)nc1 ZINC000610339646 1018328143 /nfs/dbraw/zinc/32/81/43/1018328143.db2.gz BNKOGHWVJIWLTB-UHFFFAOYSA-N -1 1 349.321 3.843 20 30 EHEDMM O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc([O-])cc1 ZINC000064925481 1018967527 /nfs/dbraw/zinc/96/75/27/1018967527.db2.gz LLWYIXMUDIPWGT-XVNBXDOJSA-N -1 1 335.262 3.798 20 30 EHEDMM Cc1c(C(=O)/C=C\c2ccc([O-])c(F)c2)cnn1-c1ccc(C#N)cc1 ZINC000255341060 1021304950 /nfs/dbraw/zinc/30/49/50/1021304950.db2.gz XEEUKRGKOJNKTI-YWEYNIOJSA-N -1 1 347.349 3.793 20 30 EHEDMM CCSCc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000157878419 1021377910 /nfs/dbraw/zinc/37/79/10/1021377910.db2.gz AEDNAHJCLFSQGD-UHFFFAOYSA-N -1 1 332.450 3.612 20 30 EHEDMM C=CCC1([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CCCCC1 ZINC001211861394 1022642667 /nfs/dbraw/zinc/64/26/67/1022642667.db2.gz JIUMQHRFLSXJJT-UHFFFAOYSA-N -1 1 349.283 3.946 20 30 EHEDMM COCCn1cc(C([O-])=C(C#N)c2nc(C)cs2)c2ccccc21 ZINC000147454305 1023833785 /nfs/dbraw/zinc/83/37/85/1023833785.db2.gz OJJKTIXFKLZXPN-AWEZNQCLSA-N -1 1 339.420 3.543 20 30 EHEDMM N#Cc1ccc(Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)cc1 ZINC000520532405 1024053494 /nfs/dbraw/zinc/05/34/94/1024053494.db2.gz RWZXHWYZSBSJBT-UHFFFAOYSA-N -1 1 348.318 3.839 20 30 EHEDMM Cc1cc(C(C#N)=C([O-])c2cc(Oc3ccccc3)ccn2)nc(C)n1 ZINC000342391827 1025158264 /nfs/dbraw/zinc/15/82/64/1025158264.db2.gz YZSHAPZWZMNAEP-KRWDZBQOSA-N -1 1 344.374 3.771 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1[O-] ZINC000442949119 1025617259 /nfs/dbraw/zinc/61/72/59/1025617259.db2.gz ZAOOTIIDNKEFFO-DZGCQCFKSA-N -1 1 346.308 3.569 20 30 EHEDMM N#Cc1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1[O-] ZINC000442967355 1025625835 /nfs/dbraw/zinc/62/58/35/1025625835.db2.gz PXXVWMVQZYSJAL-OAHLLOKOSA-N -1 1 326.783 3.547 20 30 EHEDMM N#Cc1cccc(C2(NC(=O)c3ccc4ccccc4c3[O-])CC2)c1 ZINC000436604228 1025936904 /nfs/dbraw/zinc/93/69/04/1025936904.db2.gz NJTNCTNMADLQOV-UHFFFAOYSA-N -1 1 328.371 3.836 20 30 EHEDMM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000101850603 1027473827 /nfs/dbraw/zinc/47/38/27/1027473827.db2.gz XDFJPLCJJQVFFT-UHFFFAOYSA-N -1 1 349.415 3.730 20 30 EHEDMM Cc1nc(CC2CC2)oc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000583415857 1029792058 /nfs/dbraw/zinc/79/20/58/1029792058.db2.gz BWFJBUDYNONXOP-ZDUSSCGKSA-N -1 1 334.379 3.610 20 30 EHEDMM C=CCCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000102331917 1030900920 /nfs/dbraw/zinc/90/09/20/1030900920.db2.gz YUHRAHQCKQSCIE-UHFFFAOYSA-N -1 1 344.436 3.701 20 30 EHEDMM CCOc1cc(C(=O)Nc2ccc(F)c(C#N)c2)cc(Cl)c1[O-] ZINC000186777399 1031112959 /nfs/dbraw/zinc/11/29/59/1031112959.db2.gz BTIXLCDTPCDHLF-UHFFFAOYSA-N -1 1 334.734 3.707 20 30 EHEDMM C=C[C@@H](CCC(=O)[O-])NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000904013757 1031598080 /nfs/dbraw/zinc/59/80/80/1031598080.db2.gz IYBMOBDJPQYOCB-ZDUSSCGKSA-N -1 1 336.844 3.973 20 30 EHEDMM N#CC(=C([O-])c1ccc2nsnc2c1)c1nc(C2CC2)cs1 ZINC000647379019 1034107650 /nfs/dbraw/zinc/10/76/50/1034107650.db2.gz VKIPTRPVUGMCIY-SNVBAGLBSA-N -1 1 326.406 3.515 20 30 EHEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CCc2ccc(Cl)cc21 ZINC000593811930 1034125929 /nfs/dbraw/zinc/12/59/29/1034125929.db2.gz HRFVYHHZMGZIQI-LBPRGKRZSA-N -1 1 340.810 3.719 20 30 EHEDMM N#CC(=C([O-])c1ccc2c(c1)OC(F)(F)O2)c1nc(C2CC2)cs1 ZINC000647380183 1034126057 /nfs/dbraw/zinc/12/60/57/1034126057.db2.gz RXXICPBNCZQLRR-JTQLQIEISA-N -1 1 348.330 3.832 20 30 EHEDMM Cc1nn(C(C)(C)C)c(C)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000613286931 1035495742 /nfs/dbraw/zinc/49/57/42/1035495742.db2.gz OISMMEWEYPFQFA-CQSZACIVSA-N -1 1 349.438 3.632 20 30 EHEDMM CCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1CC ZINC000475811417 1036301357 /nfs/dbraw/zinc/30/13/57/1036301357.db2.gz SFABSFFVXOZRGL-UHFFFAOYSA-N -1 1 328.437 3.678 20 30 EHEDMM Cc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1Br ZINC000589846496 1036642166 /nfs/dbraw/zinc/64/21/66/1036642166.db2.gz QNNFWXILNOCXCI-UHFFFAOYSA-N -1 1 331.169 3.587 20 30 EHEDMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000057123701 1036697331 /nfs/dbraw/zinc/69/73/31/1036697331.db2.gz MADNNAMZRVQTJJ-CYBMUJFWSA-N -1 1 330.409 3.536 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000122762819 1037779599 /nfs/dbraw/zinc/77/95/99/1037779599.db2.gz XBWRPGSSIPFDOB-OAHLLOKOSA-N -1 1 336.420 3.744 20 30 EHEDMM O=C(C=Cc1ccc([O-])c(Br)c1)c1c[nH]c2ncccc12 ZINC000123740271 1040921601 /nfs/dbraw/zinc/92/16/01/1040921601.db2.gz TUOVHTGGIOOHAJ-HWKANZROSA-N -1 1 343.180 3.927 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ncc(Cc3ccccc3)s2)c1 ZINC000614293445 1040955177 /nfs/dbraw/zinc/95/51/77/1040955177.db2.gz HHUDBWPTWOPFKU-UHFFFAOYSA-N -1 1 335.388 3.563 20 30 EHEDMM CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614295641 1040957478 /nfs/dbraw/zinc/95/74/78/1040957478.db2.gz WHOYCCINYFDMEX-UHFFFAOYSA-N -1 1 334.297 3.555 20 30 EHEDMM CN1C(=O)CCc2cc(C(=O)/C=C/c3ccc([O-])c(Cl)c3)ccc21 ZINC000162704844 1041166141 /nfs/dbraw/zinc/16/61/41/1041166141.db2.gz LFDKATRGUWCYMM-FARCUNLSSA-N -1 1 341.794 3.851 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H]2CCCc3sc(Cl)cc32)cc1[O-] ZINC000344600329 1044176407 /nfs/dbraw/zinc/17/64/07/1044176407.db2.gz GRBNKELRXTYQHK-LBPRGKRZSA-N -1 1 332.812 3.786 20 30 EHEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000344993524 1044791770 /nfs/dbraw/zinc/79/17/70/1044791770.db2.gz KEGFSLZRCMCSTI-UHFFFAOYSA-N -1 1 341.285 3.663 20 30 EHEDMM CSCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000076937208 1128963038 /nfs/dbraw/zinc/96/30/38/1128963038.db2.gz XZGKODCCURSBKQ-UHFFFAOYSA-N -1 1 332.450 3.531 20 30 EHEDMM CC(=NNc1nc2ccccc2s1)c1ccc(CC(=O)[O-])cc1 ZINC000915933915 1121993591 /nfs/dbraw/zinc/99/35/91/1121993591.db2.gz MCISSYZQWJEHGZ-UHFFFAOYSA-N -1 1 325.393 3.760 20 30 EHEDMM CC(=[NH+][N-]c1nc2ccccc2s1)c1ccc(CC(=O)[O-])cc1 ZINC000915933915 1121993594 /nfs/dbraw/zinc/99/35/94/1121993594.db2.gz MCISSYZQWJEHGZ-UHFFFAOYSA-N -1 1 325.393 3.760 20 30 EHEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(-c3cccs3)cc2F)n1 ZINC000917529367 1122629562 /nfs/dbraw/zinc/62/95/62/1122629562.db2.gz NWKDVZXCOHLBLU-UHFFFAOYSA-N -1 1 328.372 3.804 20 30 EHEDMM CC(C)CCN(CCC#N)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619581989 1125367712 /nfs/dbraw/zinc/36/77/12/1125367712.db2.gz YXXVEPHJSWKYGK-UHFFFAOYSA-N -1 1 328.334 3.813 20 30 EHEDMM C=C(CNC(=O)c1ccc(Br)c([O-])c1)c1ccccc1 ZINC000673342267 1129311737 /nfs/dbraw/zinc/31/17/37/1129311737.db2.gz YHDSUIBMWUETBQ-UHFFFAOYSA-N -1 1 332.197 3.598 20 30 EHEDMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000509103037 1129748350 /nfs/dbraw/zinc/74/83/50/1129748350.db2.gz LALBIGWYJMWXLJ-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM CC(N=Nc1nccnc1Cl)c1cc(Cl)c(Cl)cc1[O-] ZINC000766021664 1129813206 /nfs/dbraw/zinc/81/32/06/1129813206.db2.gz WNMLARHRBUNXFK-UHFFFAOYSA-N -1 1 331.590 3.979 20 30 EHEDMM CC(=NN[C@H]1CCOC(C)(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766028532 1129842368 /nfs/dbraw/zinc/84/23/68/1129842368.db2.gz BSQAMVNBHQNJID-JTQLQIEISA-N -1 1 331.243 3.970 20 30 EHEDMM COc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)c(SC)cc1OC ZINC000741164844 1131581960 /nfs/dbraw/zinc/58/19/60/1131581960.db2.gz BFZVFPAGRZZRHN-APSNUPSMSA-N -1 1 344.388 3.748 20 30 EHEDMM C#CCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000744015983 1132007742 /nfs/dbraw/zinc/00/77/42/1132007742.db2.gz GOWKXWUTDKSDKF-HNNXBMFYSA-N -1 1 332.384 3.798 20 30 EHEDMM O=C(/C=C/c1ccc(F)cc1Br)c1cc(O)ccc1[O-] ZINC000767727645 1133043563 /nfs/dbraw/zinc/04/35/63/1133043563.db2.gz AQDOODFBDQZDGR-GORDUTHDSA-N -1 1 337.144 3.896 20 30 EHEDMM N#Cc1ccc(NC(=O)Cc2ccc(-c3ccccn3)cc2)c([O-])c1 ZINC001177950950 1133120723 /nfs/dbraw/zinc/12/07/23/1133120723.db2.gz ZQUKBZNXQUOULX-UHFFFAOYSA-N -1 1 329.359 3.507 20 30 EHEDMM COc1ccc(NC(=S)NN=C(C)c2ccc([O-])c(Cl)c2)cc1 ZINC000768764454 1133174338 /nfs/dbraw/zinc/17/43/38/1133174338.db2.gz UHTBKOFMTZKQPR-UHFFFAOYSA-N -1 1 349.843 3.765 20 30 EHEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1c([O-])cccc1Cl ZINC000769671204 1133327853 /nfs/dbraw/zinc/32/78/53/1133327853.db2.gz HSYHIKBMUVEIMU-UHFFFAOYSA-N -1 1 328.799 3.970 20 30 EHEDMM C#CCC1(C(=O)OCCc2cc(C(C)=O)ccc2[O-])CCCCC1 ZINC000788209817 1134095462 /nfs/dbraw/zinc/09/54/62/1134095462.db2.gz CWGQZAJVYSLVFR-UHFFFAOYSA-N -1 1 328.408 3.654 20 30 EHEDMM CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)c1cn2ccccc2n1 ZINC000788409228 1134123998 /nfs/dbraw/zinc/12/39/98/1134123998.db2.gz UNIDEGBHZDXXLL-UHFFFAOYSA-N -1 1 328.759 3.522 20 30 EHEDMM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(C#N)cc1[O-] ZINC001186273023 1134191299 /nfs/dbraw/zinc/19/12/99/1134191299.db2.gz SNFDNNAMMJJTJJ-UHFFFAOYSA-N -1 1 331.375 3.610 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1ccc(OC)c(F)c1OC ZINC001188017735 1134416868 /nfs/dbraw/zinc/41/68/68/1134416868.db2.gz CYHWPXOMEMGHOV-UHFFFAOYSA-N -1 1 347.452 3.945 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1ccccc1C1=NCCO1 ZINC001188017853 1134416881 /nfs/dbraw/zinc/41/68/81/1134416881.db2.gz HKOFKEJUZPMDHP-UHFFFAOYSA-N -1 1 338.473 3.566 20 30 EHEDMM Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189346916 1134567146 /nfs/dbraw/zinc/56/71/46/1134567146.db2.gz AQDPTCAVHQAGIT-UHFFFAOYSA-N -1 1 340.379 3.960 20 30 EHEDMM COc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001190053819 1134652925 /nfs/dbraw/zinc/65/29/25/1134652925.db2.gz FIKQMDNKHABIKB-UHFFFAOYSA-N -1 1 336.269 3.544 20 30 EHEDMM C=CCc1cc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cc(OC)c1O ZINC000747063591 1134674180 /nfs/dbraw/zinc/67/41/80/1134674180.db2.gz NNVYSRHTRYMZOK-RQZCQDPDSA-N -1 1 338.359 3.760 20 30 EHEDMM COc1cc(C(=O)Nc2ccc([C@H](C)C#N)cc2)cc(Cl)c1[O-] ZINC001191147954 1134801454 /nfs/dbraw/zinc/80/14/54/1134801454.db2.gz WAHGDMVUUGWGNE-SNVBAGLBSA-N -1 1 330.771 3.934 20 30 EHEDMM COc1cc(C(=O)Nc2ccc3c(C#N)c[nH]c3c2)cc(Cl)c1[O-] ZINC001191148938 1134802057 /nfs/dbraw/zinc/80/20/57/1134802057.db2.gz VVPSRPLUXOLPFD-UHFFFAOYSA-N -1 1 341.754 3.659 20 30 EHEDMM COc1ccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)c(C)c1OC ZINC000806572159 1135463307 /nfs/dbraw/zinc/46/33/07/1135463307.db2.gz WUZJNCVZZXVYOV-PXNMLYILSA-N -1 1 326.348 3.642 20 30 EHEDMM CCCCCCCCCCN(C)C(=O)c1c[nH]c(=S)[n-]c1=O ZINC001196016600 1135506298 /nfs/dbraw/zinc/50/62/98/1135506298.db2.gz VMFFCDJUCWHGLV-UHFFFAOYSA-N -1 1 325.478 3.684 20 30 EHEDMM Cc1ncc(CNC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)s1 ZINC001196298053 1135544684 /nfs/dbraw/zinc/54/46/84/1135544684.db2.gz RNCMINQFVQDRSO-UHFFFAOYSA-N -1 1 349.415 3.626 20 30 EHEDMM C#CCCCCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000808114542 1135619274 /nfs/dbraw/zinc/61/92/74/1135619274.db2.gz SVHFNKYLOPPTFK-UHFFFAOYSA-N -1 1 330.609 3.940 20 30 EHEDMM N#Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1N1CCCCC1 ZINC001201223740 1136000628 /nfs/dbraw/zinc/00/06/28/1136000628.db2.gz FQOQBJZXUNAGRA-UHFFFAOYSA-N -1 1 338.367 3.906 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2)cc1C#N ZINC001201317640 1136006906 /nfs/dbraw/zinc/00/69/06/1136006906.db2.gz YIDYRGNNUSSQJE-UHFFFAOYSA-N -1 1 338.388 3.928 20 30 EHEDMM C=CCC(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000814462955 1136457222 /nfs/dbraw/zinc/45/72/22/1136457222.db2.gz LERQHBMLEFLMJI-UHFFFAOYSA-N -1 1 341.249 3.556 20 30 EHEDMM O=c1[n-]c(N=NC2CCC[C@H]2Cc2ccccn2)nc2ccccc21 ZINC000853318312 1136525627 /nfs/dbraw/zinc/52/56/27/1136525627.db2.gz ASXPJICWUXYXRB-ZDUSSCGKSA-N -1 1 333.395 3.541 20 30 EHEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccccc1-n1ccnn1 ZINC000794732944 1137245807 /nfs/dbraw/zinc/24/58/07/1137245807.db2.gz ULIWEPJUZHDSTR-ALCCZGGFSA-N -1 1 325.755 3.522 20 30 EHEDMM C[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc(C#N)c1[O-] ZINC000866322064 1137345526 /nfs/dbraw/zinc/34/55/26/1137345526.db2.gz RWCLOEMAXFJAEF-KSSFIOAISA-N -1 1 338.407 3.995 20 30 EHEDMM C=CCCC[C@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccccc1 ZINC000879416200 1137747070 /nfs/dbraw/zinc/74/70/70/1137747070.db2.gz QAHGSLHSDZZSET-KRWDZBQOSA-N -1 1 349.438 3.561 20 30 EHEDMM N#Cc1ccc(C2CCN(C(=O)c3c([O-])cccc3Cl)CC2)cc1 ZINC000887703092 1138693395 /nfs/dbraw/zinc/69/33/95/1138693395.db2.gz DJGLGXLTQSMZKW-UHFFFAOYSA-N -1 1 340.810 3.937 20 30 EHEDMM CC[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CC[C@@H]1c1ccccc1 ZINC000188606040 523422946 /nfs/dbraw/zinc/42/29/46/523422946.db2.gz MYZMLNGJXKHKSC-BEFAXECRSA-N -1 1 334.419 3.920 20 30 EHEDMM N#Cc1cccc([C@H](NCc2cccc(Cl)c2Cl)C(=O)[O-])c1 ZINC000833074635 601303298 /nfs/dbraw/zinc/30/32/98/601303298.db2.gz BXQVNNIVUJIOJU-HNNXBMFYSA-N -1 1 335.190 3.781 20 30 EHEDMM C[C@H](C(=O)[O-])n1cccc1C=NNc1cc(C(F)(F)F)ccc1F ZINC000833406926 605040649 /nfs/dbraw/zinc/04/06/49/605040649.db2.gz PTSHGEJVOLFPNZ-SECBINFHSA-N -1 1 343.280 3.738 20 30 EHEDMM O=C([O-])c1ccccc1N=NCc1ccccc1OCc1ccncc1 ZINC000833783795 605102034 /nfs/dbraw/zinc/10/20/34/605102034.db2.gz RCEKZAPSXGBUIU-UHFFFAOYSA-N -1 1 347.374 3.805 20 30 EHEDMM O=C(C=CC=Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400331 608092321 /nfs/dbraw/zinc/09/23/21/608092321.db2.gz WAGHKGKBFGKFBK-HSFFGMMNSA-N -1 1 326.356 3.520 20 30 EHEDMM O=C(C=CC=Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400331 608092322 /nfs/dbraw/zinc/09/23/22/608092322.db2.gz WAGHKGKBFGKFBK-HSFFGMMNSA-N -1 1 326.356 3.520 20 30 EHEDMM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1Cl ZINC000826266608 609507083 /nfs/dbraw/zinc/50/70/83/609507083.db2.gz VMSBBRCCZXKKBA-HWKANZROSA-N -1 1 330.800 3.786 20 30 EHEDMM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1Cl ZINC000826266608 609507085 /nfs/dbraw/zinc/50/70/85/609507085.db2.gz VMSBBRCCZXKKBA-HWKANZROSA-N -1 1 330.800 3.786 20 30 EHEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000108981224 1014806338 /nfs/dbraw/zinc/80/63/38/1014806338.db2.gz VKOHVTBJPBPPNI-NSHDSACASA-N -1 1 328.393 3.744 20 30 EHEDMM Cc1ccc2cc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)ccc2n1 ZINC000340246189 1016777482 /nfs/dbraw/zinc/77/74/82/1016777482.db2.gz VDUADPKGZABIJW-HNNXBMFYSA-N -1 1 341.374 3.613 20 30 EHEDMM C=CCc1cc(C(=O)Nc2ccc(F)cc2[O-])cc(OC)c1OC ZINC000340328171 1016950584 /nfs/dbraw/zinc/95/05/84/1016950584.db2.gz CSFOVJXILYOUPV-UHFFFAOYSA-N -1 1 331.343 3.529 20 30 EHEDMM N#CC(=C([O-])c1ccc2c(c1)OCO2)c1nc2cc(F)ccc2s1 ZINC000592974301 1032620312 /nfs/dbraw/zinc/62/03/12/1032620312.db2.gz QBSVEVFOWRVVEB-NSHDSACASA-N -1 1 340.335 3.654 20 30 EHEDMM CC(=O)c1ncc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)s1 ZINC000415345403 1017914257 /nfs/dbraw/zinc/91/42/57/1017914257.db2.gz FVJKFQYWNFEMNB-UHFFFAOYSA-N -1 1 333.438 3.829 20 30 EHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(C)c1O ZINC000593198372 1032806000 /nfs/dbraw/zinc/80/60/00/1032806000.db2.gz KPPHDKGNICBKNN-UHFFFAOYSA-N -1 1 344.436 3.611 20 30 EHEDMM COC(=O)c1oc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)cc1C ZINC000602352423 1032807805 /nfs/dbraw/zinc/80/78/05/1032807805.db2.gz ZYGWMMMEPJZJFJ-UHFFFAOYSA-N -1 1 346.408 3.858 20 30 EHEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)ccc1Cl ZINC000780367636 1019319285 /nfs/dbraw/zinc/31/92/85/1019319285.db2.gz VOQKDTIPLCLTAS-UHFFFAOYSA-N -1 1 342.754 3.950 20 30 EHEDMM C=C(C)CNC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430567353 1020738847 /nfs/dbraw/zinc/73/88/47/1020738847.db2.gz FIZSEYCEFSVJCZ-UHFFFAOYSA-N -1 1 334.375 3.626 20 30 EHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1OC(C)C ZINC000427329335 1021316615 /nfs/dbraw/zinc/31/66/15/1021316615.db2.gz RJJKVAWKXQYKCX-UHFFFAOYSA-N -1 1 348.399 3.594 20 30 EHEDMM N#C[C@]1(NC(=O)c2ccc3ccccc3c2[O-])CCc2ccccc2C1 ZINC000436876827 1021325944 /nfs/dbraw/zinc/32/59/44/1021325944.db2.gz BNVGSKVWTRPVSL-QFIPXVFZSA-N -1 1 342.398 3.726 20 30 EHEDMM N#Cc1cc(Oc2ccc(NC(=O)c3ccc([O-])cc3F)cc2)ccn1 ZINC000436934369 1021393549 /nfs/dbraw/zinc/39/35/49/1021393549.db2.gz GDMWVULRURDZRY-UHFFFAOYSA-N -1 1 349.321 3.843 20 30 EHEDMM N#Cc1cc(Oc2ccc(NC(=O)c3cc(F)ccc3[O-])cc2)ccn1 ZINC000436933343 1021395361 /nfs/dbraw/zinc/39/53/61/1021395361.db2.gz BSGJPELQXMCMES-UHFFFAOYSA-N -1 1 349.321 3.843 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1[O-] ZINC000437264438 1021691689 /nfs/dbraw/zinc/69/16/89/1021691689.db2.gz FADBWLGNWSBHFB-DZGCQCFKSA-N -1 1 347.201 3.857 20 30 EHEDMM CN1C(=O)CCc2cc(C(=O)/C=C\c3ccc([O-])c(Cl)c3)ccc21 ZINC000255394708 1022555834 /nfs/dbraw/zinc/55/58/34/1022555834.db2.gz LFDKATRGUWCYMM-UQCOIBPSSA-N -1 1 341.794 3.851 20 30 EHEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1cc2c(s1)SCC(=O)N2 ZINC000588450124 1022961915 /nfs/dbraw/zinc/96/19/15/1022961915.db2.gz AQKXNKYMPJUOIG-RQOWECAXSA-N -1 1 335.381 3.533 20 30 EHEDMM CCCCOc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000518082286 1022990062 /nfs/dbraw/zinc/99/00/62/1022990062.db2.gz KKUREETZEMFRGV-UHFFFAOYSA-N -1 1 344.436 3.846 20 30 EHEDMM COc1cc2c(c(/C=C3/Oc4cc([O-])cc(C)c4C3=O)c1)O[C@@H](C)C2 ZINC000728440911 1024495851 /nfs/dbraw/zinc/49/58/51/1024495851.db2.gz XYUFBRADNHZTLP-CPWFCVNUSA-N -1 1 338.359 3.649 20 30 EHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3[nH]c(=O)oc3c2)s1 ZINC000684676177 1024508495 /nfs/dbraw/zinc/50/84/95/1024508495.db2.gz VSOBLOKLVRFXCV-JTQLQIEISA-N -1 1 341.392 3.777 20 30 EHEDMM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(C#N)c([O-])c2)C2CC2)o1 ZINC000190470487 1024665642 /nfs/dbraw/zinc/66/56/42/1024665642.db2.gz KIBWQKXBNKMMAP-SJCJKPOMSA-N -1 1 336.391 3.785 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(OC(F)F)c(F)c2)n1 ZINC000344641290 1025001763 /nfs/dbraw/zinc/00/17/63/1025001763.db2.gz TWHCZAPQAIPIED-SECBINFHSA-N -1 1 326.299 3.682 20 30 EHEDMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc(C#N)cc1 ZINC000127012987 1025372969 /nfs/dbraw/zinc/37/29/69/1025372969.db2.gz MJHIKGOEMHNLND-QMMMGPOBSA-N -1 1 325.315 3.926 20 30 EHEDMM CCc1cc(=O)[n-]c(SCc2ccc(C#N)cc2OC(F)F)n1 ZINC000436210768 1025463224 /nfs/dbraw/zinc/46/32/24/1025463224.db2.gz OYSRCNKBMIVABT-UHFFFAOYSA-N -1 1 337.351 3.510 20 30 EHEDMM N#Cc1ccc(C(=O)N(Cc2cccc(F)c2)C2CCCC2)cc1[O-] ZINC000442979544 1025645029 /nfs/dbraw/zinc/64/50/29/1025645029.db2.gz PHXPUAOUKKCTEJ-UHFFFAOYSA-N -1 1 338.382 3.988 20 30 EHEDMM C=C(C)Cn1c(CC)n[n-]c1=N[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000521852883 1025723008 /nfs/dbraw/zinc/72/30/08/1025723008.db2.gz VYHNPTWKCQCPMJ-SUMWQHHRSA-N -1 1 348.878 3.680 20 30 EHEDMM N#Cc1ccc(C(=O)NCc2cc(Cl)sc2Cl)cc1[O-] ZINC000443123463 1025738282 /nfs/dbraw/zinc/73/82/82/1025738282.db2.gz LGCFQQVXTQMWOM-UHFFFAOYSA-N -1 1 327.192 3.562 20 30 EHEDMM C=CCNC(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436567438 1025896377 /nfs/dbraw/zinc/89/63/77/1025896377.db2.gz XMACORNSAHMTAI-UHFFFAOYSA-N -1 1 338.407 3.684 20 30 EHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000443421843 1026018247 /nfs/dbraw/zinc/01/82/47/1026018247.db2.gz ZTMFHFYZHSUFMZ-UHFFFAOYSA-N -1 1 347.436 3.623 20 30 EHEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000066814189 1028342128 /nfs/dbraw/zinc/34/21/28/1028342128.db2.gz RGBKXNCKJMZMCD-ZDUSSCGKSA-N -1 1 332.450 3.882 20 30 EHEDMM CC(C)(c1ccc(C([O-])=C(C#N)c2ccncn2)cc1)C(F)(F)F ZINC000447609039 1030364137 /nfs/dbraw/zinc/36/41/37/1030364137.db2.gz XIERFRWFDZHECJ-CYBMUJFWSA-N -1 1 333.313 3.807 20 30 EHEDMM CCOc1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc(Cl)c1[O-] ZINC000613022634 1030696278 /nfs/dbraw/zinc/69/62/78/1030696278.db2.gz ZNUBPAITLRSNSS-LLVKDONJSA-N -1 1 344.798 3.807 20 30 EHEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)c(C)o2)cc1Cl ZINC000128758511 1030817097 /nfs/dbraw/zinc/81/70/97/1030817097.db2.gz RLYCNSKQMGGLSK-LBPRGKRZSA-N -1 1 346.770 3.520 20 30 EHEDMM N#Cc1ccc(C(=O)NCc2ccccc2OC2CCCC2)cc1[O-] ZINC000190740437 1030932141 /nfs/dbraw/zinc/93/21/41/1030932141.db2.gz DBQGVBNIWDWZEP-UHFFFAOYSA-N -1 1 336.391 3.515 20 30 EHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C3CC3)cc2)n1 ZINC000595241303 1033719277 /nfs/dbraw/zinc/71/92/77/1033719277.db2.gz RWYUGWXVSCULNL-CQSZACIVSA-N -1 1 340.404 3.687 20 30 EHEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063911346 1033867446 /nfs/dbraw/zinc/86/74/46/1033867446.db2.gz QSCSRTPDWSHWBU-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM C[C@@H]1SCCN(C(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccccc1 ZINC000188438175 1034462335 /nfs/dbraw/zinc/46/23/35/1034462335.db2.gz DQIWASRCHHHZTM-UGSOOPFHSA-N -1 1 338.432 3.583 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CC=C(c3cccc4ccccc43)C2)c1 ZINC000589197906 1036302159 /nfs/dbraw/zinc/30/21/59/1036302159.db2.gz PNSKNFSKEPANBD-UHFFFAOYSA-N -1 1 340.382 3.956 20 30 EHEDMM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000102594998 1036743093 /nfs/dbraw/zinc/74/30/93/1036743093.db2.gz UAOMDIPDPAJTEX-HNNXBMFYSA-N -1 1 341.374 3.547 20 30 EHEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000255915345 1036904966 /nfs/dbraw/zinc/90/49/66/1036904966.db2.gz CFDFONRVGSQMMO-XFSBKJJWSA-N -1 1 343.766 3.898 20 30 EHEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1scnc1C1CC1 ZINC000760965965 1037949117 /nfs/dbraw/zinc/94/91/17/1037949117.db2.gz RDJPWXZRGQRIDP-SNVBAGLBSA-N -1 1 345.811 3.635 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1OC(C)C ZINC000279944582 1039614068 /nfs/dbraw/zinc/61/40/68/1039614068.db2.gz MNWBZKGJVLEOIH-UHFFFAOYSA-N -1 1 344.436 3.649 20 30 EHEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1cnn(C2CCC2)c1 ZINC000899406503 1040465057 /nfs/dbraw/zinc/46/50/57/1040465057.db2.gz MFAOASQDWXDBPO-GQCTYLIASA-N -1 1 347.212 3.972 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC000319293740 1040652528 /nfs/dbraw/zinc/65/25/28/1040652528.db2.gz HXTFUBRFEYWUBQ-UHFFFAOYSA-N -1 1 332.812 3.501 20 30 EHEDMM C[C@@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000842305021 1040787443 /nfs/dbraw/zinc/78/74/43/1040787443.db2.gz XNEJRPRGEJQPBC-KOLCDFICSA-N -1 1 348.399 3.589 20 30 EHEDMM CCOc1ccc2nc(NC(=O)c3cc([O-])cc(C#N)c3)sc2c1 ZINC000614293510 1040954818 /nfs/dbraw/zinc/95/48/18/1040954818.db2.gz LKTGVHKOXJDVLH-UHFFFAOYSA-N -1 1 339.376 3.525 20 30 EHEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(-c3ccccc3)cs2)c(=O)o1 ZINC000125781811 1042699145 /nfs/dbraw/zinc/69/91/45/1042699145.db2.gz YADAJYGLFWQINV-LKGOPFMKSA-N -1 1 338.384 3.643 20 30 EHEDMM O=C(c1ocnc1C(F)(F)F)N([O-])Cc1cccc2ccccc21 ZINC001649069934 1128134736 /nfs/dbraw/zinc/13/47/36/1128134736.db2.gz MQJDYBAIADEEJZ-UHFFFAOYSA-N -1 1 336.269 3.878 20 30 EHEDMM N#Cc1cnc(Nc2cc(F)c([O-])c(Cl)c2)c(Br)c1 ZINC001214479720 1128807826 /nfs/dbraw/zinc/80/78/26/1128807826.db2.gz FBKQZRAMTJQLGN-UHFFFAOYSA-N -1 1 342.555 3.957 20 30 EHEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3cncc([O-])c3)cc2)c1 ZINC000111618684 1128877008 /nfs/dbraw/zinc/87/70/08/1128877008.db2.gz UQDLTBPSVKSWDG-UHFFFAOYSA-N -1 1 331.331 3.703 20 30 EHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000919962322 1123247831 /nfs/dbraw/zinc/24/78/31/1123247831.db2.gz DDRKJQNNRMDKFU-UHFFFAOYSA-N -1 1 341.791 3.845 20 30 EHEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000180848707 1124084014 /nfs/dbraw/zinc/08/40/14/1124084014.db2.gz VBXWTJJKGOLHFQ-SECBINFHSA-N -1 1 338.292 3.534 20 30 EHEDMM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000069610200 1124938033 /nfs/dbraw/zinc/93/80/33/1124938033.db2.gz FCDHGBAOHVHCFD-MRVPVSSYSA-N -1 1 347.421 3.967 20 30 EHEDMM Cc1oc2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2c1C ZINC000619463895 1125350296 /nfs/dbraw/zinc/35/02/96/1125350296.db2.gz TYSYTNCJSAJULN-UHFFFAOYSA-N -1 1 340.404 3.917 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000619557187 1125365401 /nfs/dbraw/zinc/36/54/01/1125365401.db2.gz MQJNSDIGMOUIQZ-SAZUREKKSA-N -1 1 326.783 3.593 20 30 EHEDMM COc1ccc(NN=C(C)c2cc(Cl)c(Cl)cc2[O-])nc1 ZINC000766030535 1129849688 /nfs/dbraw/zinc/84/96/88/1129849688.db2.gz UWVGSSRVGFDZQU-UHFFFAOYSA-N -1 1 326.183 3.939 20 30 EHEDMM CCOc1cc(C(=O)NCC2CCC(C#N)CC2)cc(Cl)c1[O-] ZINC000282446396 1129857326 /nfs/dbraw/zinc/85/73/26/1129857326.db2.gz UVOXOKZGOJZEEN-UHFFFAOYSA-N -1 1 336.819 3.504 20 30 EHEDMM C[C@@H]1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C[C@H]1C ZINC000767377889 1132992395 /nfs/dbraw/zinc/99/23/95/1132992395.db2.gz KBOLZILDZSWMQM-GHMZBOCLSA-N -1 1 330.436 3.511 20 30 EHEDMM C#Cc1ccc(-c2nc(-c3cc(Cl)c([O-])c(OCC)c3)no2)cn1 ZINC000771109467 1133510955 /nfs/dbraw/zinc/51/09/55/1133510955.db2.gz RCEVWCGHRSWAEQ-UHFFFAOYSA-N -1 1 341.754 3.538 20 30 EHEDMM N#Cc1ccc(NC(=O)Nc2c([O-])cccc2Br)cc1 ZINC001184753904 1133982701 /nfs/dbraw/zinc/98/27/01/1133982701.db2.gz NRNGDIUUUPHGKZ-UHFFFAOYSA-N -1 1 332.157 3.670 20 30 EHEDMM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185521040 1134102404 /nfs/dbraw/zinc/10/24/04/1134102404.db2.gz LCBOLMNKLGLOCB-UHFFFAOYSA-N -1 1 334.828 3.883 20 30 EHEDMM N#CC1(c2ccc(Nc3[n-]c(=O)nc4nc[nH]c43)cc2)CCCCC1 ZINC001170232250 1134716269 /nfs/dbraw/zinc/71/62/69/1134716269.db2.gz GNNLKKHZNSOUSS-UHFFFAOYSA-N -1 1 334.383 3.528 20 30 EHEDMM CC(C)c1cccc(F)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190657704 1134734062 /nfs/dbraw/zinc/73/40/62/1134734062.db2.gz HOPODHSNMBLYLQ-UHFFFAOYSA-N -1 1 336.363 3.761 20 30 EHEDMM CCCCCCCCNC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001191053000 1134783662 /nfs/dbraw/zinc/78/36/62/1134783662.db2.gz WFXSSXFJDQSXJE-UHFFFAOYSA-N -1 1 332.400 3.981 20 30 EHEDMM N#Cc1ccc(NC(=O)c2cccnc2Oc2ccccc2)c([O-])c1 ZINC001192706575 1135050530 /nfs/dbraw/zinc/05/05/30/1135050530.db2.gz QZTRUHTXNGLJRL-UHFFFAOYSA-N -1 1 331.331 3.703 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)cc1 ZINC001194455444 1135269339 /nfs/dbraw/zinc/26/93/39/1135269339.db2.gz PYPTWRHDBYBDDE-UHFFFAOYSA-N -1 1 343.795 3.561 20 30 EHEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)c1 ZINC001195170007 1135386231 /nfs/dbraw/zinc/38/62/31/1135386231.db2.gz ZUNLPDRRKARVOF-UHFFFAOYSA-N -1 1 332.400 3.816 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2C)cc1C#N ZINC001201322089 1136007197 /nfs/dbraw/zinc/00/71/97/1136007197.db2.gz CEMXJLAAERBTSF-UHFFFAOYSA-N -1 1 345.811 3.501 20 30 EHEDMM COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1ccc([O-])c(Cl)c1 ZINC000747705881 1136076342 /nfs/dbraw/zinc/07/63/42/1136076342.db2.gz RJINWQIKTMLFQK-XVNBXDOJSA-N -1 1 345.782 3.909 20 30 EHEDMM O=C([N-]Cc1cc(F)c(C(F)(F)F)cc1F)C(F)C(F)(F)F ZINC000811529863 1136099455 /nfs/dbraw/zinc/09/94/55/1136099455.db2.gz XDWJFJMBODCIJX-QMMMGPOBSA-N -1 1 339.157 3.500 20 30 EHEDMM CC(=NNc1cc(C)ccc1F)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814872052 1136518795 /nfs/dbraw/zinc/51/87/95/1136518795.db2.gz CHXBRALKSXXZPU-ZDUSSCGKSA-N -1 1 330.359 3.822 20 30 EHEDMM CSc1ccc([O-])c(C(=O)N(CCC#N)c2ccc(C)cc2)c1 ZINC001136506440 1137039720 /nfs/dbraw/zinc/03/97/20/1137039720.db2.gz QZPGJJWLMUJIOS-UHFFFAOYSA-N -1 1 326.421 3.983 20 30 EHEDMM CC(C)[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000822913191 1137079095 /nfs/dbraw/zinc/07/90/95/1137079095.db2.gz TUTYDWKHLAISRL-CYBMUJFWSA-N -1 1 345.187 3.595 20 30 EHEDMM N#CCOc1ccc(Nc2ccc(F)c(Br)c2[O-])cc1 ZINC001212611290 1137138270 /nfs/dbraw/zinc/13/82/70/1137138270.db2.gz OOSVYDGSSXDUOH-UHFFFAOYSA-N -1 1 337.148 3.940 20 30 EHEDMM C=CCC(F)(F)C(=O)[N-]Cc1ccc(Br)c(F)c1F ZINC000862945596 1137165008 /nfs/dbraw/zinc/16/50/08/1137165008.db2.gz CHCALNLFLNGROD-UHFFFAOYSA-N -1 1 340.114 3.555 20 30 EHEDMM C[C@H]1CCCCCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000844581796 1137235882 /nfs/dbraw/zinc/23/58/82/1137235882.db2.gz VPEOBAQFZCJOOT-NSHDSACASA-N -1 1 330.436 3.655 20 30 EHEDMM C=C(C)CO[N-]C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000846536826 1137355718 /nfs/dbraw/zinc/35/57/18/1137355718.db2.gz BQTYPMZUHSXSLS-HOCLYGCPSA-N -1 1 348.443 3.512 20 30 EHEDMM CCOc1cc(C(=O)Nc2cc(F)cc(C#N)c2)cc(Cl)c1[O-] ZINC001171528865 1137496663 /nfs/dbraw/zinc/49/66/63/1137496663.db2.gz ONASYCMNDYIBIG-UHFFFAOYSA-N -1 1 334.734 3.707 20 30 EHEDMM C=C[C@H](CCC(=O)[O-])NCc1cccc(Cl)c1Br ZINC000871878361 1137561994 /nfs/dbraw/zinc/56/19/94/1137561994.db2.gz IVZRGEUAXWJAQQ-SNVBAGLBSA-N -1 1 332.625 3.612 20 30 EHEDMM CSc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000337761481 1138661880 /nfs/dbraw/zinc/66/18/80/1138661880.db2.gz PHVABLWYEWUILG-UHFFFAOYSA-N -1 1 338.841 3.734 20 30 EHEDMM Cc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)cc(C)c1OCC(=O)[O-] ZINC000738378386 599891548 /nfs/dbraw/zinc/89/15/48/599891548.db2.gz FIPKGZVPZLMLJC-HWKANZROSA-N -1 1 344.338 3.508 20 30 EHEDMM O=C([O-])NC[C@@H]1CCC[C@@H]1/N=C\c1cc(Cl)cc(Cl)c1O ZINC000740619733 603317681 /nfs/dbraw/zinc/31/76/81/603317681.db2.gz ICBWWVAKYYRDDK-CHKHGMNRSA-N -1 1 331.199 3.554 20 30 EHEDMM CC(C)c1csc(C(C#N)C(=O)c2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000824476688 603440896 /nfs/dbraw/zinc/44/08/96/603440896.db2.gz QMADBSAZHZVKQH-JTQLQIEISA-N -1 1 347.371 3.986 20 30 EHEDMM CC(C)=CCCC(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820005139 606433372 /nfs/dbraw/zinc/43/33/72/606433372.db2.gz KDUZAHZRIYZLRC-UHFFFAOYSA-N -1 1 331.424 3.686 20 30 EHEDMM O=C(C=Cc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401478 608094245 /nfs/dbraw/zinc/09/42/45/608094245.db2.gz ZXHJDQNWCLWSTQ-SOFGYWHQSA-N -1 1 332.388 3.978 20 30 EHEDMM O=C(C=Cc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401478 608094246 /nfs/dbraw/zinc/09/42/46/608094246.db2.gz ZXHJDQNWCLWSTQ-SOFGYWHQSA-N -1 1 332.388 3.978 20 30 EHEDMM C=CCN(CCCCC(=O)[O-])Cc1cc(Br)ccc1F ZINC000181552191 959442004 /nfs/dbraw/zinc/44/20/04/959442004.db2.gz ALMAGMJRESOEOX-UHFFFAOYSA-N -1 1 344.224 3.831 20 30 EHEDMM C=CCC[C@@H](NCC(=O)c1cc(C(=O)[O-])[nH]c1C)c1ccccc1 ZINC001573357617 963017350 /nfs/dbraw/zinc/01/73/50/963017350.db2.gz PGBMRYDTNDOSQI-MRXNPFEDSA-N -1 1 326.396 3.501 20 30 EHEDMM C#CCN(Cc1ccc(F)cc1)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001588469773 983503395 /nfs/dbraw/zinc/50/33/95/983503395.db2.gz QQNVDUACAFKPJP-UHFFFAOYSA-N -1 1 348.377 3.708 20 30 EHEDMM C=CC[C@H](N[C@H](C)c1ccccc1OCC(=O)[O-])c1ccncc1 ZINC001588746365 984058018 /nfs/dbraw/zinc/05/80/18/984058018.db2.gz SBIOKMVHZMKBPD-PBHICJAKSA-N -1 1 326.396 3.513 20 30 EHEDMM CC(=NNc1cccc(F)n1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589017218 985002110 /nfs/dbraw/zinc/00/21/10/985002110.db2.gz DFIFMAYJDZGSGD-UHFFFAOYSA-N -1 1 344.371 3.673 20 30 EHEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc([O-])cc3F)cn2)cc1 ZINC001625853975 1016235254 /nfs/dbraw/zinc/23/52/54/1016235254.db2.gz OKOFWHUPWZLJBC-UHFFFAOYSA-N -1 1 349.321 3.843 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)cc1[O-] ZINC000189146177 1016440972 /nfs/dbraw/zinc/44/09/72/1016440972.db2.gz HFVSYVJAFUFNRS-OAHLLOKOSA-N -1 1 342.782 3.561 20 30 EHEDMM C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000189917271 1016773250 /nfs/dbraw/zinc/77/32/50/1016773250.db2.gz LRQZOOOHQBELKB-LLVKDONJSA-N -1 1 348.324 3.816 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1[O-] ZINC000189962074 1016795665 /nfs/dbraw/zinc/79/56/65/1016795665.db2.gz GSPMKSBEHZJUEY-AWEZNQCLSA-N -1 1 344.823 3.884 20 30 EHEDMM N#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)cc1[O-] ZINC000568730744 1032200452 /nfs/dbraw/zinc/20/04/52/1032200452.db2.gz YHDDCZKNIUYJPB-SFHVURJKSA-N -1 1 332.403 3.674 20 30 EHEDMM Cc1cc(C(C#N)=C([O-])c2ccc3ccc(Cl)cc3n2)nc(C)n1 ZINC000083938184 1032409294 /nfs/dbraw/zinc/40/92/94/1032409294.db2.gz YDLQGKJUNAAMHO-AWEZNQCLSA-N -1 1 336.782 3.785 20 30 EHEDMM C=CCN(CCc1ccccc1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000460183188 1032651563 /nfs/dbraw/zinc/65/15/63/1032651563.db2.gz AXIYWRCIARUOMG-UHFFFAOYSA-N -1 1 345.826 3.925 20 30 EHEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151203486 1017999625 /nfs/dbraw/zinc/99/96/25/1017999625.db2.gz MRMUNYKFISWKMD-QMMMGPOBSA-N -1 1 327.755 3.602 20 30 EHEDMM C[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1cccc(C#N)c1 ZINC000610366825 1018532815 /nfs/dbraw/zinc/53/28/15/1018532815.db2.gz ZHMQAEKYETVYFI-SNVBAGLBSA-N -1 1 345.196 3.517 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000614361246 1018842229 /nfs/dbraw/zinc/84/22/29/1018842229.db2.gz MNJSKGPZJAKLFF-UHFFFAOYSA-N -1 1 332.359 3.699 20 30 EHEDMM Cc1c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)oc2c1C(=O)CCC2 ZINC000345380432 1020213993 /nfs/dbraw/zinc/21/39/93/1020213993.db2.gz QZUISELWXRAVOO-LBPRGKRZSA-N -1 1 347.374 3.782 20 30 EHEDMM Cn1cc(/C=C\C(=O)c2ccc([O-])cc2)c(-c2ccc(C#N)cc2)n1 ZINC000588394067 1020242963 /nfs/dbraw/zinc/24/29/63/1020242963.db2.gz XZFKZTHZGUQIRM-FLIBITNWSA-N -1 1 329.359 3.560 20 30 EHEDMM C=CCOc1cc(OC)ccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436869571 1021310125 /nfs/dbraw/zinc/31/01/25/1021310125.db2.gz BIRKCSYCXRAPSF-UHFFFAOYSA-N -1 1 342.326 3.822 20 30 EHEDMM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c2nccn2c1 ZINC000626423135 1021654762 /nfs/dbraw/zinc/65/47/62/1021654762.db2.gz IDEATZASYUDVQL-ZDUSSCGKSA-N -1 1 338.436 3.887 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1[O-] ZINC000437295091 1021721445 /nfs/dbraw/zinc/72/14/45/1021721445.db2.gz ONEJWWXPDYCSES-RBUKOAKNSA-N -1 1 328.371 3.703 20 30 EHEDMM CCCCOc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000511256711 1033038894 /nfs/dbraw/zinc/03/88/94/1033038894.db2.gz HJFDRWPNXDOAAO-UHFFFAOYSA-N -1 1 330.409 3.538 20 30 EHEDMM Cc1nc(C(=O)[N-]c2nnc(C(C)C)s2)c(Br)s1 ZINC000330661752 1022631814 /nfs/dbraw/zinc/63/18/14/1022631814.db2.gz ZUZJSOJFPAYUDC-UHFFFAOYSA-N -1 1 347.263 3.825 20 30 EHEDMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000135393898 1022994518 /nfs/dbraw/zinc/99/45/18/1022994518.db2.gz BZHLAGHONFJTEM-UHFFFAOYSA-N -1 1 348.811 3.605 20 30 EHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000431178141 1023384670 /nfs/dbraw/zinc/38/46/70/1023384670.db2.gz JTJFDTJPBWHEIW-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM C=C(C)CN(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000181249181 1023871022 /nfs/dbraw/zinc/87/10/22/1023871022.db2.gz DRQYMAMUKXIBKP-UHFFFAOYSA-N -1 1 343.427 3.799 20 30 EHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3[nH]c(=O)oc3c2)s1 ZINC000684676179 1024508409 /nfs/dbraw/zinc/50/84/09/1024508409.db2.gz VSOBLOKLVRFXCV-SNVBAGLBSA-N -1 1 341.392 3.777 20 30 EHEDMM N#Cc1ccccc1C(=O)/C=C\c1ccc([O-])c(Br)c1 ZINC000588618196 1033513469 /nfs/dbraw/zinc/51/34/69/1033513469.db2.gz GUJHORQSEIZCJE-ALCCZGGFSA-N -1 1 328.165 3.922 20 30 EHEDMM N#C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000436552379 1025859158 /nfs/dbraw/zinc/85/91/58/1025859158.db2.gz BYHLIGWOIWSMMZ-ZDUSSCGKSA-N -1 1 339.153 3.833 20 30 EHEDMM N#Cc1ccc(C(=O)NCCc2cc(Cl)cc(Cl)c2)cc1[O-] ZINC000442950062 1025894976 /nfs/dbraw/zinc/89/49/76/1025894976.db2.gz XYJBDCLLQBQHHA-UHFFFAOYSA-N -1 1 335.190 3.543 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3nccs3)c2C)n1 ZINC000122763575 1026719927 /nfs/dbraw/zinc/71/99/27/1026719927.db2.gz OPZSHMVATQTDBP-ZDUSSCGKSA-N -1 1 342.449 3.806 20 30 EHEDMM COc1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)cc1OC(F)F ZINC000588535283 1026787776 /nfs/dbraw/zinc/78/77/76/1026787776.db2.gz XZFFHCTVSLGINH-WUXMJOGZSA-N -1 1 332.302 3.825 20 30 EHEDMM C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445457887 1028827238 /nfs/dbraw/zinc/82/72/38/1028827238.db2.gz UQKKCBCGFPYPRZ-SNVBAGLBSA-N -1 1 325.299 3.593 20 30 EHEDMM CC(C)(C)c1ncc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)s1 ZINC000757475172 1029690522 /nfs/dbraw/zinc/69/05/22/1029690522.db2.gz ZHNYZWCNSUVSPP-FNORWQNLSA-N -1 1 331.393 3.741 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)cc1[O-] ZINC000190779319 1030937437 /nfs/dbraw/zinc/93/74/37/1030937437.db2.gz OVINWIVNBIFRSD-INIZCTEOSA-N -1 1 326.783 3.895 20 30 EHEDMM O=C(N([O-])Cc1cccc2ccccc21)C(F)(F)C1CCOCC1 ZINC000904171918 1031819999 /nfs/dbraw/zinc/81/99/99/1031819999.db2.gz USMZHORNPCHZRW-UHFFFAOYSA-N -1 1 335.350 3.620 20 30 EHEDMM N#CC(=C([O-])c1cc2nc[nH]c2cc1F)c1nc(C2CC2)cs1 ZINC000647379918 1034122669 /nfs/dbraw/zinc/12/26/69/1034122669.db2.gz YPOCPUKAAOXVOS-JTQLQIEISA-N -1 1 326.356 3.526 20 30 EHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000476511721 1034156882 /nfs/dbraw/zinc/15/68/82/1034156882.db2.gz RLISNVMJBDSSCN-UHFFFAOYSA-N -1 1 346.433 3.662 20 30 EHEDMM COc1ccc(Br)cc1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000222296685 1035532740 /nfs/dbraw/zinc/53/27/40/1035532740.db2.gz OFDCKGVBHHEOLP-DJWKRKHSSA-N -1 1 349.180 3.765 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1[O-] ZINC000442674309 1035756972 /nfs/dbraw/zinc/75/69/72/1035756972.db2.gz VZDBJWGDGWETCU-MRXNPFEDSA-N -1 1 347.374 3.772 20 30 EHEDMM CSc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)c2ccccn12 ZINC000174015024 1035836410 /nfs/dbraw/zinc/83/64/10/1035836410.db2.gz NXKYQDPUFAQEPE-LLVKDONJSA-N -1 1 348.387 3.687 20 30 EHEDMM CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000589170389 1036270164 /nfs/dbraw/zinc/27/01/64/1036270164.db2.gz YWVBEYRCPRCFPZ-KRWDZBQOSA-N -1 1 346.390 3.535 20 30 EHEDMM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(C)c1 ZINC000475811719 1036301888 /nfs/dbraw/zinc/30/18/88/1036301888.db2.gz YMFIKDNZJKRYCN-UHFFFAOYSA-N -1 1 344.436 3.651 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)c1 ZINC000589195508 1036304094 /nfs/dbraw/zinc/30/40/94/1036304094.db2.gz BVQSOWJHOOSZDY-LJQANCHMSA-N -1 1 334.419 3.891 20 30 EHEDMM COc1ccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1Cl ZINC000045571425 1036510468 /nfs/dbraw/zinc/51/04/68/1036510468.db2.gz NMLQXVYXICGKJW-UHFFFAOYSA-N -1 1 348.712 3.706 20 30 EHEDMM N#Cc1ccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1[O-] ZINC000442967354 1036770610 /nfs/dbraw/zinc/77/06/10/1036770610.db2.gz PXXVWMVQZYSJAL-HNNXBMFYSA-N -1 1 326.783 3.547 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)c1 ZINC000590531317 1036948336 /nfs/dbraw/zinc/94/83/36/1036948336.db2.gz OQJUCCBYXOGULZ-MQMHXKEQSA-N -1 1 326.783 3.593 20 30 EHEDMM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443269538 1037535977 /nfs/dbraw/zinc/53/59/77/1037535977.db2.gz HANAOVGSECXFIP-QGZVFWFLSA-N -1 1 338.407 3.790 20 30 EHEDMM C=CCCC[C@@H](C)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000378440233 1038621818 /nfs/dbraw/zinc/62/18/18/1038621818.db2.gz ANEICCPAIRCINQ-OAHLLOKOSA-N -1 1 344.455 3.741 20 30 EHEDMM Cc1coc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc12 ZINC000479565988 1040387116 /nfs/dbraw/zinc/38/71/16/1040387116.db2.gz VBFQGEVDABJLRM-UHFFFAOYSA-N -1 1 326.377 3.722 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000614296971 1040946880 /nfs/dbraw/zinc/94/68/80/1040946880.db2.gz COTVOLHFDQXKSF-QGZVFWFLSA-N -1 1 326.783 3.895 20 30 EHEDMM Cc1csc(-c2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2)n1 ZINC000614298458 1040953095 /nfs/dbraw/zinc/95/30/95/1040953095.db2.gz OKGWGQJOMRXSQK-UHFFFAOYSA-N -1 1 335.388 3.948 20 30 EHEDMM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc([O-])cc(C#N)c2)C2CC2)o1 ZINC000614295295 1040955835 /nfs/dbraw/zinc/95/58/35/1040955835.db2.gz KICRBWNGLCHIID-SGTLLEGYSA-N -1 1 336.391 3.785 20 30 EHEDMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000586877388 1041060925 /nfs/dbraw/zinc/06/09/25/1041060925.db2.gz FEISDYRSOKNMPQ-OAQYLSRUSA-N -1 1 334.419 3.848 20 30 EHEDMM N#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000040216608 1042720538 /nfs/dbraw/zinc/72/05/38/1042720538.db2.gz CEJUGOYWCHJQCV-CQSZACIVSA-N -1 1 341.219 3.537 20 30 EHEDMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000279826056 1044711242 /nfs/dbraw/zinc/71/12/42/1044711242.db2.gz BJPAYKRJCLVBEG-CQSZACIVSA-N -1 1 344.436 3.731 20 30 EHEDMM N#Cc1cccc(OCCCCC(=O)Nc2cccc(F)c2[O-])c1 ZINC001648846542 1120053793 /nfs/dbraw/zinc/05/37/93/1120053793.db2.gz AZPORAXAHRTVEK-UHFFFAOYSA-N -1 1 328.343 3.591 20 30 EHEDMM Cc1cn2c(/C=C3\Oc4cc([O-])cc(C)c4C3=O)c(C)nc2s1 ZINC000915989038 1122013138 /nfs/dbraw/zinc/01/31/38/1122013138.db2.gz UWLUXIBIRYRLCJ-NSIKDUERSA-N -1 1 326.377 3.643 20 30 EHEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(OCCC(C)C)cc1 ZINC000916241733 1122106738 /nfs/dbraw/zinc/10/67/38/1122106738.db2.gz QJHUPSBBSKVSGV-UHFFFAOYSA-N -1 1 328.416 3.752 20 30 EHEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)cc(C)c1Br ZINC000617419169 1124531355 /nfs/dbraw/zinc/53/13/55/1124531355.db2.gz CUDNAUPASRNPCB-UHFFFAOYSA-N -1 1 345.196 3.896 20 30 EHEDMM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc2ccccc2cc1[O-] ZINC000618783907 1125198960 /nfs/dbraw/zinc/19/89/60/1125198960.db2.gz MJFYNJFLZAUVRS-IBGZPJMESA-N -1 1 328.371 3.834 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(-c3ccco3)cc2F)c1 ZINC000619242774 1125324073 /nfs/dbraw/zinc/32/40/73/1125324073.db2.gz BXRKHVVDXIYMKO-UHFFFAOYSA-N -1 1 336.322 3.593 20 30 EHEDMM CC(N=Nc1ccc(Cl)nn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000765994513 1129608828 /nfs/dbraw/zinc/60/88/28/1129608828.db2.gz WGNUUADUVYXIQJ-UHFFFAOYSA-N -1 1 331.590 3.979 20 30 EHEDMM CC(N=Nc1ccc([N+](=O)[O-])cn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766012359 1129746907 /nfs/dbraw/zinc/74/69/07/1129746907.db2.gz WYQKWCMNVLTYNM-UHFFFAOYSA-N -1 1 341.154 3.838 20 30 EHEDMM CC(C)CCN(CCC#N)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000103460020 1132888688 /nfs/dbraw/zinc/88/86/88/1132888688.db2.gz IOXBLVBCYYFAFK-UHFFFAOYSA-N -1 1 349.529 3.812 20 30 EHEDMM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1ccc([O-])cc1F ZINC000773580492 1132969929 /nfs/dbraw/zinc/96/99/29/1132969929.db2.gz ISLJKECHVLQOAK-UHFFFAOYSA-N -1 1 338.256 3.759 20 30 EHEDMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(C#N)cc1[O-] ZINC001182147934 1133578908 /nfs/dbraw/zinc/57/89/08/1133578908.db2.gz JZAHGGSVSSEGOG-QIIPPGSGSA-N -1 1 330.428 3.680 20 30 EHEDMM N#Cc1ccc(NC(=O)Nc2cccc([O-])c2Br)cc1 ZINC001184761617 1133986905 /nfs/dbraw/zinc/98/69/05/1133986905.db2.gz BAEFHSXXGCPRLS-UHFFFAOYSA-N -1 1 332.157 3.670 20 30 EHEDMM N#Cc1cc(NC(=O)NCc2ccc(C(F)(F)F)cc2)ccc1[O-] ZINC001186815987 1134261827 /nfs/dbraw/zinc/26/18/27/1134261827.db2.gz KCOXNLSXWPGYGY-UHFFFAOYSA-N -1 1 335.285 3.604 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc2c1OCC[C@H]2O ZINC001188018101 1134417612 /nfs/dbraw/zinc/41/76/12/1134417612.db2.gz TYODJPBWJWCAQF-MRXNPFEDSA-N -1 1 341.473 3.605 20 30 EHEDMM C=C(C)Cc1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC001190211963 1134671135 /nfs/dbraw/zinc/67/11/35/1134671135.db2.gz UZXOGFBALGXMFU-UHFFFAOYSA-N -1 1 347.212 3.921 20 30 EHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc1Cl ZINC001190500158 1134707269 /nfs/dbraw/zinc/70/72/69/1134707269.db2.gz PHEMXKXUSNQUQG-UHFFFAOYSA-N -1 1 332.812 3.890 20 30 EHEDMM C=CCOc1ccccc1[C@@H](C)NC(=O)c1cc([O-])cc(F)c1F ZINC001192679135 1135044230 /nfs/dbraw/zinc/04/42/30/1135044230.db2.gz QGTXPPDDYJHXMG-LLVKDONJSA-N -1 1 333.334 3.726 20 30 EHEDMM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)c(O)c1 ZINC000806560291 1135459574 /nfs/dbraw/zinc/45/95/74/1135459574.db2.gz KQSLABSBTMFQSV-BAQGIRSFSA-N -1 1 348.301 3.630 20 30 EHEDMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1Cl ZINC001201323037 1136007486 /nfs/dbraw/zinc/00/74/86/1136007486.db2.gz XMUHJFDRRBRLKL-UHFFFAOYSA-N -1 1 348.811 3.524 20 30 EHEDMM CSc1nc(Nc2ccc(C(F)(F)F)cc2C#N)cc(=O)[n-]1 ZINC001201690771 1136056826 /nfs/dbraw/zinc/05/68/26/1136056826.db2.gz AKGCMNNBXDYYBI-UHFFFAOYSA-N -1 1 326.303 3.538 20 30 EHEDMM CCCCCCCCCCS(=O)(=O)[N-]c1cn(CCF)cn1 ZINC001201834731 1136068527 /nfs/dbraw/zinc/06/85/27/1136068527.db2.gz VRGACOHEPSCTGL-UHFFFAOYSA-N -1 1 333.473 3.735 20 30 EHEDMM COc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)c(Cl)c1OC ZINC000107066738 1136159524 /nfs/dbraw/zinc/15/95/24/1136159524.db2.gz AJIWWLBUJQETGR-AUWJEWJLSA-N -1 1 332.739 3.679 20 30 EHEDMM C=CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccncc1 ZINC000776477681 1136292796 /nfs/dbraw/zinc/29/27/96/1136292796.db2.gz ZGUROSLMUQOCEO-AWEZNQCLSA-N -1 1 336.313 3.853 20 30 EHEDMM C=CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)C(C)C ZINC000813439611 1136332564 /nfs/dbraw/zinc/33/25/64/1136332564.db2.gz BYHXMBQWNCFWLL-UHFFFAOYSA-N -1 1 349.228 3.740 20 30 EHEDMM O=C([O-])c1cccc(C=NNc2cccc(F)c2[N+](=O)[O-])c1Cl ZINC000814919714 1136528862 /nfs/dbraw/zinc/52/88/62/1136528862.db2.gz YMTLGPRMYQYBRO-UHFFFAOYSA-N -1 1 337.694 3.532 20 30 EHEDMM C=CCOc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1OC ZINC000111667807 1136569943 /nfs/dbraw/zinc/56/99/43/1136569943.db2.gz LWVKPTVFGGVLPR-UHFFFAOYSA-N -1 1 333.771 3.871 20 30 EHEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccccc1-n1ccnn1 ZINC000794732946 1137245752 /nfs/dbraw/zinc/24/57/52/1137245752.db2.gz ULIWEPJUZHDSTR-FNORWQNLSA-N -1 1 325.755 3.522 20 30 EHEDMM N#CC(C(=O)c1cccc2c[nH]nc21)=C([O-])c1cc2c(s1)CCCC2 ZINC000845837193 1137314543 /nfs/dbraw/zinc/31/45/43/1137314543.db2.gz GIUXOXKNMHSSLZ-AWEZNQCLSA-N -1 1 349.415 3.709 20 30 EHEDMM CC1=CCC[C@H](C)[C@@H]1C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000773205463 1137478261 /nfs/dbraw/zinc/47/82/61/1137478261.db2.gz CNMGLRJSUMRRBV-QWHCGFSZSA-N -1 1 342.447 3.677 20 30 EHEDMM CC(C)[N@@H+](Cc1nnc(-c2ccccc2O)o1)Cc1ccc(C#N)cc1 ZINC000878005866 1137699243 /nfs/dbraw/zinc/69/92/43/1137699243.db2.gz WSSVBBUGYPCTLF-UHFFFAOYSA-N -1 1 348.406 3.724 20 30 EHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccccc1OCc1ccccn1 ZINC000210116169 1137749251 /nfs/dbraw/zinc/74/92/51/1137749251.db2.gz WNYIPZSBZDUPJF-JAIQZWGSSA-N -1 1 345.354 3.982 20 30 EHEDMM CC(C)=CCCC(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000820004744 606433639 /nfs/dbraw/zinc/43/36/39/606433639.db2.gz ALXIDRJRKKLZJQ-UHFFFAOYSA-N -1 1 331.424 3.587 20 30 EHEDMM CC1=CCC[C@H](C)[C@H]1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000824851537 608289115 /nfs/dbraw/zinc/28/91/15/608289115.db2.gz AAFCGMSVVAKAIA-RYUDHWBXSA-N -1 1 343.435 3.542 20 30 EHEDMM CC[C@H]1CCC[C@@H](CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC000825193813 947111892 /nfs/dbraw/zinc/11/18/92/947111892.db2.gz NWZFKNBOUIEGKT-NWDGAFQWSA-N -1 1 331.424 3.592 20 30 EHEDMM C=CCOC[C@H](NCc1sc2c(cccc2Cl)c1C)C(=O)[O-] ZINC000901808697 980530116 /nfs/dbraw/zinc/53/01/16/980530116.db2.gz KNGRHBQYUNXIHT-ZDUSSCGKSA-N -1 1 339.844 3.609 20 30 EHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)ccc1Cl ZINC000340245534 1016775553 /nfs/dbraw/zinc/77/55/53/1016775553.db2.gz DOQTZMVDLFTGCQ-UHFFFAOYSA-N -1 1 332.812 3.501 20 30 EHEDMM CCOc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593194415 1032802033 /nfs/dbraw/zinc/80/20/33/1032802033.db2.gz MVXXVDAGUFIEHM-UHFFFAOYSA-N -1 1 344.436 3.687 20 30 EHEDMM N#Cc1ccccc1CSCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000436826447 1021277436 /nfs/dbraw/zinc/27/74/36/1021277436.db2.gz PSCHXUDIAMILJO-UHFFFAOYSA-N -1 1 346.839 3.580 20 30 EHEDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C)c1 ZINC000120844107 1021281455 /nfs/dbraw/zinc/28/14/55/1021281455.db2.gz MRDJJIGUAJUKHI-UHFFFAOYSA-N -1 1 334.828 3.938 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000303236229 1022424454 /nfs/dbraw/zinc/42/44/54/1022424454.db2.gz ZURZNXPAIRHVEK-UHFFFAOYSA-N -1 1 347.436 3.841 20 30 EHEDMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(OCCCC#N)c2)o1 ZINC000426766190 1023015603 /nfs/dbraw/zinc/01/56/03/1023015603.db2.gz XRBMTFNWYYLVHN-KRWDZBQOSA-N -1 1 342.395 3.576 20 30 EHEDMM CC[C@H]1C[C@H](C(=O)Nc2cc(-c3nnco3)ccc2C)CC([O-])=N1 ZINC000329666265 1024022367 /nfs/dbraw/zinc/02/23/67/1024022367.db2.gz KXCHNBCCNJVEQU-STQMWFEESA-N -1 1 328.372 3.778 20 30 EHEDMM Cc1cc(C#N)ccc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443571874 1024158574 /nfs/dbraw/zinc/15/85/74/1024158574.db2.gz FWDSKUKRWQMRGN-UHFFFAOYSA-N -1 1 336.269 3.723 20 30 EHEDMM N#CC(=C([O-])c1ccc2c(c1)CCCC2=O)c1cnc2ccccc2n1 ZINC000346245268 1024559881 /nfs/dbraw/zinc/55/98/81/1024559881.db2.gz RYSGAIVKAWZSBI-MRXNPFEDSA-N -1 1 341.370 3.639 20 30 EHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435161549 1024669186 /nfs/dbraw/zinc/66/91/86/1024669186.db2.gz DMXATOVAPAIXBP-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM Cc1cc(C(C#N)=C([O-])c2cc(Oc3ccccc3)ccn2)nc(C)n1 ZINC000342391829 1025158915 /nfs/dbraw/zinc/15/89/15/1025158915.db2.gz YZSHAPZWZMNAEP-QGZVFWFLSA-N -1 1 344.374 3.771 20 30 EHEDMM C=CCSc1ccccc1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000436507556 1025801160 /nfs/dbraw/zinc/80/11/60/1025801160.db2.gz WWBMDZGZCLADNC-UHFFFAOYSA-N -1 1 343.404 3.709 20 30 EHEDMM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000443301074 1025891779 /nfs/dbraw/zinc/89/17/79/1025891779.db2.gz BPSPIXUYIBLNEP-GOSISDBHSA-N -1 1 340.398 3.742 20 30 EHEDMM Cn1cc(/C=C\C(=O)c2ccc([O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000255509130 1026546600 /nfs/dbraw/zinc/54/66/00/1026546600.db2.gz KMFDOBXYGADVSG-WDZFZDKYSA-N -1 1 349.346 3.597 20 30 EHEDMM Cc1ccc(-c2cccc(C=CC(=O)c3c([O-])cc(C)oc3=O)c2)cc1 ZINC000158581832 1026666946 /nfs/dbraw/zinc/66/69/46/1026666946.db2.gz XSZHMEOVDXFDBT-OGECGYFKSA-N -1 1 346.382 3.890 20 30 EHEDMM O=C1c2ccc(O)cc2C/C1=C/c1ccc([O-])c(Br)c1 ZINC000588535228 1026788399 /nfs/dbraw/zinc/78/83/99/1026788399.db2.gz WWQKDLGZMYONNF-WZUFQYTHSA-N -1 1 331.165 3.683 20 30 EHEDMM C#Cc1cccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000043984741 1027141356 /nfs/dbraw/zinc/14/13/56/1027141356.db2.gz FTWWDSAOFSLYRC-UHFFFAOYSA-N -1 1 348.402 3.500 20 30 EHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000057124043 1028353556 /nfs/dbraw/zinc/35/35/56/1028353556.db2.gz YOKZNXXMGPFBPX-UHFFFAOYSA-N -1 1 340.404 3.600 20 30 EHEDMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(C#N)s2)c1 ZINC000482738021 1030678092 /nfs/dbraw/zinc/67/80/92/1030678092.db2.gz UKKTVMAPNXPOFF-UHFFFAOYSA-N -1 1 337.198 3.649 20 30 EHEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329615231 1031402555 /nfs/dbraw/zinc/40/25/55/1031402555.db2.gz FHJJLHLSUNOOCW-RRFJBIMHSA-N -1 1 342.443 3.520 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccccc2COC)c1 ZINC000484571951 1031727037 /nfs/dbraw/zinc/72/70/37/1031727037.db2.gz OYPTVAWXTBAAGX-UHFFFAOYSA-N -1 1 347.436 3.589 20 30 EHEDMM COc1cc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)sn1 ZINC000598682873 1033382298 /nfs/dbraw/zinc/38/22/98/1033382298.db2.gz CCUMEOAOOOTHNX-SNVBAGLBSA-N -1 1 333.438 3.798 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)c(C(F)(F)F)c1 ZINC000055548912 1035612834 /nfs/dbraw/zinc/61/28/34/1035612834.db2.gz CHSUVWLWNPQFDO-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM N#C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(Cl)c1Cl ZINC000613505010 1036143960 /nfs/dbraw/zinc/14/39/60/1036143960.db2.gz YQKCEJJAAVGPQA-GFCCVEGCSA-N -1 1 339.153 3.833 20 30 EHEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccc(Cl)nc2Cl)c1 ZINC000761481318 1036263349 /nfs/dbraw/zinc/26/33/49/1036263349.db2.gz WXXVLJRPZILAKV-DAFODLJHSA-N -1 1 338.146 3.688 20 30 EHEDMM CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000589170391 1036269138 /nfs/dbraw/zinc/26/91/38/1036269138.db2.gz YWVBEYRCPRCFPZ-QGZVFWFLSA-N -1 1 346.390 3.535 20 30 EHEDMM COc1cccc(CN(CC(C)C)C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589182131 1036293443 /nfs/dbraw/zinc/29/34/43/1036293443.db2.gz QROZKBKSHTVZQI-UHFFFAOYSA-N -1 1 338.407 3.571 20 30 EHEDMM CCc1cc(Br)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589189674 1036297573 /nfs/dbraw/zinc/29/75/73/1036297573.db2.gz CZIHXQPZBRIJJY-UHFFFAOYSA-N -1 1 345.196 3.841 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2CCCc2ccccc2)c1 ZINC000589190239 1036300929 /nfs/dbraw/zinc/30/09/29/1036300929.db2.gz JLDVZRDVVOYYPD-LJQANCHMSA-N -1 1 334.419 3.891 20 30 EHEDMM Cc1c([N-]S(=O)(=O)c2cccc(C#N)c2)cccc1C(F)(F)F ZINC000122236561 1036789645 /nfs/dbraw/zinc/78/96/45/1036789645.db2.gz DOILBYWWNLOMHR-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000443298380 1037704465 /nfs/dbraw/zinc/70/44/65/1037704465.db2.gz PTIANNYBIKOBOX-NRFANRHFSA-N -1 1 334.419 3.749 20 30 EHEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000416958325 1039267340 /nfs/dbraw/zinc/26/73/40/1039267340.db2.gz LORHVORCZHFQSK-GFCCVEGCSA-N -1 1 334.363 3.570 20 30 EHEDMM C#Cc1cccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[n-]c2=S)c1 ZINC000029477458 1040633879 /nfs/dbraw/zinc/63/38/79/1040633879.db2.gz HPMPTLNYOHDYBN-UHFFFAOYSA-N -1 1 348.431 3.536 20 30 EHEDMM Cc1ccc(-c2csc(NC(=O)c3cc([O-])cc(C#N)c3)n2)cc1 ZINC000614293379 1040954321 /nfs/dbraw/zinc/95/43/21/1040954321.db2.gz CNZIGDWJIMFSHZ-UHFFFAOYSA-N -1 1 335.388 3.948 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000614298403 1040962366 /nfs/dbraw/zinc/96/23/66/1040962366.db2.gz VTQIZGBNRXDEID-MRXNPFEDSA-N -1 1 340.810 3.765 20 30 EHEDMM Cn1c2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2nc1C(C)(C)C ZINC000614302635 1040974632 /nfs/dbraw/zinc/97/46/32/1040974632.db2.gz PMFLDFKILMDLBS-UHFFFAOYSA-N -1 1 348.406 3.700 20 30 EHEDMM CC(=NNc1cccc(C#N)c1)c1ccc(Br)cc1[O-] ZINC000756822620 1042605246 /nfs/dbraw/zinc/60/52/46/1042605246.db2.gz BUAFOFKUFVNTBG-UHFFFAOYSA-N -1 1 330.185 3.862 20 30 EHEDMM C=C(C)CONC(=O)N=c1nc(Sc2ccc(C)cc2)[n-]s1 ZINC001670623188 1120091989 /nfs/dbraw/zinc/09/19/89/1120091989.db2.gz WONRGPJFSMMEDI-UHFFFAOYSA-N -1 1 336.442 3.627 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)cc1[O-] ZINC000615485028 1123814368 /nfs/dbraw/zinc/81/43/68/1123814368.db2.gz MKALPIKOULFVFS-AWEZNQCLSA-N -1 1 338.382 3.813 20 30 EHEDMM Cc1cc(C(F)(F)F)ccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000615811481 1123880376 /nfs/dbraw/zinc/88/03/76/1123880376.db2.gz GYTMOZDNECUDCQ-UHFFFAOYSA-N -1 1 334.297 3.521 20 30 EHEDMM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ncccc1[O-] ZINC000181000875 1124468938 /nfs/dbraw/zinc/46/89/38/1124468938.db2.gz GUZLHFBSFRBYDH-UHFFFAOYSA-N -1 1 331.331 3.703 20 30 EHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000619461179 1125349766 /nfs/dbraw/zinc/34/97/66/1125349766.db2.gz OFGGXKCAPSHSLV-UHFFFAOYSA-N -1 1 340.326 3.572 20 30 EHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000389931003 1129596635 /nfs/dbraw/zinc/59/66/35/1129596635.db2.gz JCMHZGAWKIKEMR-UHFFFAOYSA-N -1 1 326.421 3.546 20 30 EHEDMM COc1cc(C#N)ccc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000766063473 1130164796 /nfs/dbraw/zinc/16/47/96/1130164796.db2.gz TXAQTKXBSRJTMX-CMDGGOBGSA-N -1 1 348.811 3.633 20 30 EHEDMM C=CCN(Cc1cccc(C#N)c1)C(=O)c1c([O-])cccc1Cl ZINC000745188989 1132211859 /nfs/dbraw/zinc/21/18/59/1132211859.db2.gz BIWHKZOYFXMVJX-UHFFFAOYSA-N -1 1 326.783 3.746 20 30 EHEDMM CC(C)CCN(CCC#N)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769335570 1133265165 /nfs/dbraw/zinc/26/51/65/1133265165.db2.gz MBOZMLZNHPXULA-UHFFFAOYSA-N -1 1 325.796 3.716 20 30 EHEDMM CCC(C[C@H](C)CC)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769809723 1133349728 /nfs/dbraw/zinc/34/97/28/1133349728.db2.gz GSFCLZNDYAWATN-LLVKDONJSA-N -1 1 332.452 3.901 20 30 EHEDMM CC(C)=CCCC(C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769810779 1133350035 /nfs/dbraw/zinc/35/00/35/1133350035.db2.gz SJIYHPVPNKKQEE-UHFFFAOYSA-N -1 1 330.436 3.821 20 30 EHEDMM CC(/C=C/C(=O)c1cc(O)ccc1[O-])=C\c1cccc([N+](=O)[O-])c1 ZINC000787172206 1133967112 /nfs/dbraw/zinc/96/71/12/1133967112.db2.gz SQNZPYQSSHYHFU-SWCFZJNMSA-N -1 1 325.320 3.848 20 30 EHEDMM C[Si](C)(C)C#Cc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC001185384268 1134075809 /nfs/dbraw/zinc/07/58/09/1134075809.db2.gz SGVXUUPRPBVDSK-UHFFFAOYSA-N -1 1 335.526 3.778 20 30 EHEDMM CC(=NNc1cccc(C(F)(F)F)n1)c1cc(C(=O)[O-])ccc1C ZINC000788428364 1134120422 /nfs/dbraw/zinc/12/04/22/1134120422.db2.gz NRDMOFSJMDELIF-UHFFFAOYSA-N -1 1 337.301 3.943 20 30 EHEDMM [O-]c1ccc(Cl)c(F)c1C=NNCc1cnc2ccccc2c1 ZINC000790166515 1134377466 /nfs/dbraw/zinc/37/74/66/1134377466.db2.gz JLAQTUHAQFDBSA-UHFFFAOYSA-N -1 1 329.762 3.857 20 30 EHEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189386117 1134578545 /nfs/dbraw/zinc/57/85/45/1134578545.db2.gz VKUDYLZFEHWBKX-UHFFFAOYSA-N -1 1 340.379 3.846 20 30 EHEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cccc(Oc2ccc(Cl)cc2)c1 ZINC001193158976 1135111110 /nfs/dbraw/zinc/11/11/10/1135111110.db2.gz XSUWRQIGQYJQFH-LLVKDONJSA-N -1 1 336.800 3.786 20 30 EHEDMM C#Cc1cccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1 ZINC001194490889 1135278310 /nfs/dbraw/zinc/27/83/10/1135278310.db2.gz MBKAYRWSSOLNRR-UHFFFAOYSA-N -1 1 342.807 3.670 20 30 EHEDMM CCCC[C@H](C)C(C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000807971301 1135593891 /nfs/dbraw/zinc/59/38/91/1135593891.db2.gz QBXPFOZMPBIDSI-NSHDSACASA-N -1 1 332.452 3.901 20 30 EHEDMM Cc1coc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1C#N ZINC001197706669 1135727105 /nfs/dbraw/zinc/72/71/05/1135727105.db2.gz LQQQKHUZNSHQQJ-UHFFFAOYSA-N -1 1 348.358 3.997 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cc1Cl ZINC001198816442 1135859305 /nfs/dbraw/zinc/85/93/05/1135859305.db2.gz KCWIUSIKDQWHCG-UHFFFAOYSA-N -1 1 332.768 3.759 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(Cl)cc2C)cc1C#N ZINC001201319449 1136006460 /nfs/dbraw/zinc/00/64/60/1136006460.db2.gz AEHQURNGMJHKLI-UHFFFAOYSA-N -1 1 334.828 3.938 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c(C#N)cccc23)cc1C#N ZINC001201319689 1136007221 /nfs/dbraw/zinc/00/72/21/1136007221.db2.gz FUHWJJYKHABKRH-UHFFFAOYSA-N -1 1 347.399 3.692 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(OC(C)C)ccc2C)cc1C#N ZINC001201319813 1136007390 /nfs/dbraw/zinc/00/73/90/1136007390.db2.gz KBTYPRXPHCSEPU-UHFFFAOYSA-N -1 1 344.436 3.763 20 30 EHEDMM N#Cc1cc(NC(=O)Nc2ccc(Br)cc2)ccc1[O-] ZINC001202333561 1136130363 /nfs/dbraw/zinc/13/03/63/1136130363.db2.gz YLABKIAMTIFLDK-UHFFFAOYSA-N -1 1 332.157 3.670 20 30 EHEDMM C=CC[C@@H](C(=O)Nc1nc(C(=O)OCC)c(Cl)[n-]1)c1ccccc1 ZINC001133885644 1136354935 /nfs/dbraw/zinc/35/49/35/1136354935.db2.gz RTDJVJARDHUZPU-GFCCVEGCSA-N -1 1 347.802 3.538 20 30 EHEDMM [O-]c1cccc(C=NN2C(=S)N=NC2c2ccccc2F)c1Cl ZINC000814742100 1136500823 /nfs/dbraw/zinc/50/08/23/1136500823.db2.gz YAFVVOQKQUNNEU-UHFFFAOYSA-N -1 1 348.790 3.614 20 30 EHEDMM Cc1cccnc1N=NC(C)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000853338601 1136526676 /nfs/dbraw/zinc/52/66/76/1136526676.db2.gz OXIDKLFRDSAICM-UHFFFAOYSA-N -1 1 327.384 3.712 20 30 EHEDMM N#C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1c(Cl)cccc1Cl ZINC001136630379 1137074171 /nfs/dbraw/zinc/07/41/71/1137074171.db2.gz PAIOYVHXYIWROX-LBPRGKRZSA-N -1 1 339.153 3.833 20 30 EHEDMM CC(C)C[C@H](C#N)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000825416887 1137177235 /nfs/dbraw/zinc/17/72/35/1137177235.db2.gz HBVRXKFEOFLIKJ-GFCCVEGCSA-N -1 1 345.187 3.595 20 30 EHEDMM N#C[C@@H](NC(=O)c1cccc([O-])c1F)c1c(Cl)cccc1Cl ZINC001144002534 1137224630 /nfs/dbraw/zinc/22/46/30/1137224630.db2.gz BQXWNPZJVCQVQF-LLVKDONJSA-N -1 1 339.153 3.833 20 30 EHEDMM N#Cc1ccc(O[C@H]2CCCN(Cc3cc(F)c([O-])cc3F)C2)cc1 ZINC001144663267 1137324919 /nfs/dbraw/zinc/32/49/19/1137324919.db2.gz BDXFFOZWAJRNPX-INIZCTEOSA-N -1 1 344.361 3.585 20 30 EHEDMM C[C@H](Nc1cccc(CN2CCCC2=O)c1)c1cccc(C#N)c1[O-] ZINC000866315844 1137344946 /nfs/dbraw/zinc/34/49/46/1137344946.db2.gz MPPPYPHAEPHFIC-AWEZNQCLSA-N -1 1 335.407 3.559 20 30 EHEDMM C=C[C@H](C)O[N-]C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000846545924 1137354749 /nfs/dbraw/zinc/35/47/49/1137354749.db2.gz KDLZQTQXKIMYFQ-DZKIICNBSA-N -1 1 348.443 3.511 20 30 EHEDMM C=C[C@H](C)O[N-]C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000846545927 1137354760 /nfs/dbraw/zinc/35/47/60/1137354760.db2.gz KDLZQTQXKIMYFQ-SQWLQELKSA-N -1 1 348.443 3.511 20 30 EHEDMM CCCCCCCCCCN(C)C(=O)c1c([O-])c(C)ncc1CO ZINC001147839873 1137413554 /nfs/dbraw/zinc/41/35/54/1137413554.db2.gz FKDSHDVXTCGDTL-UHFFFAOYSA-N -1 1 336.476 3.801 20 30 EHEDMM C=CCN(C(=O)c1ccc(-n2[n-]c(C)cc2=O)cc1)C1CCCCC1 ZINC001148332625 1137422630 /nfs/dbraw/zinc/42/26/30/1137422630.db2.gz BBQBGIMDQLNUPG-UHFFFAOYSA-N -1 1 339.439 3.760 20 30 EHEDMM N#Cc1ccc(CNC(=O)c2cccc(-c3ccccc3)c2[O-])cc1F ZINC001148873511 1137436053 /nfs/dbraw/zinc/43/60/53/1137436053.db2.gz WUDYWKPEYDRPRK-UHFFFAOYSA-N -1 1 346.361 4.000 20 30 EHEDMM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1cc(O)ccc1[O-] ZINC000129088501 1137810338 /nfs/dbraw/zinc/81/03/38/1137810338.db2.gz DGOZREHMZFLQMM-GQCTYLIASA-N -1 1 342.301 3.662 20 30 EHEDMM CCCC[C@@H]1CCCC1N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000736442619 598437293 /nfs/dbraw/zinc/43/72/93/598437293.db2.gz XSJBBRJWBJEUAR-LLVKDONJSA-N -1 1 345.451 3.910 20 30 EHEDMM O=C([O-])[C@H](Cc1ccccc1)/N=C\c1cc(Cl)cc(Cl)c1O ZINC000740057376 600154337 /nfs/dbraw/zinc/15/43/37/600154337.db2.gz YQPOLSOUHJNGBA-GPMKDSKKSA-N -1 1 338.190 3.814 20 30 EHEDMM Cc1c2cc(C(C)N=Nc3cc(C)ccn3)cnc2sc1C(=O)[O-] ZINC000825804586 601806684 /nfs/dbraw/zinc/80/66/84/601806684.db2.gz NDUVRZAPQCLECO-UHFFFAOYSA-N -1 1 340.408 3.842 20 30 EHEDMM N#CC(C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1nc2ccccc2o1 ZINC000740302610 602566143 /nfs/dbraw/zinc/56/61/43/602566143.db2.gz BSYPQWARLHJMGO-SNVBAGLBSA-N -1 1 339.282 3.547 20 30 EHEDMM N#C[C@H](C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1nc2ccccc2o1 ZINC000740302610 602566144 /nfs/dbraw/zinc/56/61/44/602566144.db2.gz BSYPQWARLHJMGO-SNVBAGLBSA-N -1 1 339.282 3.547 20 30 EHEDMM O=C(C=CC=Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400332 608092443 /nfs/dbraw/zinc/09/24/43/608092443.db2.gz WAGHKGKBFGKFBK-ZPUQHVIOSA-N -1 1 326.356 3.520 20 30 EHEDMM O=C(C=CC=Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400332 608092444 /nfs/dbraw/zinc/09/24/44/608092444.db2.gz WAGHKGKBFGKFBK-ZPUQHVIOSA-N -1 1 326.356 3.520 20 30 EHEDMM O=C(C=Cc1cnc(C2CCC2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403407 608093181 /nfs/dbraw/zinc/09/31/81/608093181.db2.gz RGGYYOXNKKAGIS-PLNGDYQASA-N -1 1 343.437 3.548 20 30 EHEDMM O=C(C=Cc1cnc(C2CCC2)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403407 608093182 /nfs/dbraw/zinc/09/31/82/608093182.db2.gz RGGYYOXNKKAGIS-PLNGDYQASA-N -1 1 343.437 3.548 20 30 EHEDMM CCSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825674142 947286556 /nfs/dbraw/zinc/28/65/56/947286556.db2.gz IKJQEORLLPGPKW-VQHVLOKHSA-N -1 1 342.449 3.936 20 30 EHEDMM C#CCN(Cc1ccccc1)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001588471378 983505982 /nfs/dbraw/zinc/50/59/82/983505982.db2.gz LVOWTVHULFHBIV-UHFFFAOYSA-N -1 1 330.387 3.568 20 30 EHEDMM C=C(CCC(=O)[O-])C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC001588633469 983749589 /nfs/dbraw/zinc/74/95/89/983749589.db2.gz INXFTQLFMUGMMP-UHFFFAOYSA-N -1 1 341.411 3.970 20 30 EHEDMM N#Cc1cc([N-]C(=O)c2sccc2F)c(Cl)c([N+](=O)[O-])c1 ZINC001266467344 1016863589 /nfs/dbraw/zinc/86/35/89/1016863589.db2.gz ODDMGBKPFYHLAZ-UHFFFAOYSA-N -1 1 325.708 3.573 20 30 EHEDMM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129765733 1032591775 /nfs/dbraw/zinc/59/17/75/1032591775.db2.gz RQVUGHSBZCTXGA-JTQLQIEISA-N -1 1 337.162 3.856 20 30 EHEDMM Cc1cc(C#N)ccc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000614402944 1018980533 /nfs/dbraw/zinc/98/05/33/1018980533.db2.gz RWMSYJDLWVVESK-UHFFFAOYSA-N -1 1 325.315 3.673 20 30 EHEDMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(C#N)cs2)c1 ZINC000182923683 1019799837 /nfs/dbraw/zinc/79/98/37/1019799837.db2.gz HLJVMSZQRTVMDB-UHFFFAOYSA-N -1 1 337.198 3.649 20 30 EHEDMM CCOc1cc(/C=C/c2ncccc2C#N)cc(Br)c1[O-] ZINC000436925469 1021387599 /nfs/dbraw/zinc/38/75/99/1021387599.db2.gz BRPBYWYBVVQRAI-AATRIKPKSA-N -1 1 345.196 3.990 20 30 EHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000439619756 1021584241 /nfs/dbraw/zinc/58/42/41/1021584241.db2.gz HUGUGTSYKYLBNZ-UHFFFAOYSA-N -1 1 349.843 3.753 20 30 EHEDMM CC(C)c1cccc(OCC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000051265940 1021990063 /nfs/dbraw/zinc/99/00/63/1021990063.db2.gz PVKVTQWHALXJFR-UHFFFAOYSA-N -1 1 328.294 3.614 20 30 EHEDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1 ZINC000341801677 1023339825 /nfs/dbraw/zinc/33/98/25/1023339825.db2.gz PEYGBOXNJIEJQN-UHFFFAOYSA-N -1 1 348.449 3.502 20 30 EHEDMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1 ZINC000451106076 1025540650 /nfs/dbraw/zinc/54/06/50/1025540650.db2.gz DWFHSYGJXKKCGN-UHFFFAOYSA-N -1 1 328.437 3.752 20 30 EHEDMM COc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)cc(Cl)c1[O-] ZINC000135216542 1027041900 /nfs/dbraw/zinc/04/19/00/1027041900.db2.gz DYWKUZHKUULMAS-OAHLLOKOSA-N -1 1 344.798 3.829 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1F ZINC000055639940 1028282469 /nfs/dbraw/zinc/28/24/69/1028282469.db2.gz GHDFHUYBCOSNFZ-UHFFFAOYSA-N -1 1 348.399 3.618 20 30 EHEDMM CC1=Nc2ccccc2C12CCN(C(=O)c1cc([O-])cc(C#N)c1)CC2 ZINC000898245645 1033401865 /nfs/dbraw/zinc/40/18/65/1033401865.db2.gz KASUKEYCFNWPKW-UHFFFAOYSA-N -1 1 345.402 3.544 20 30 EHEDMM CCOCc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])ccc1OC ZINC000176955190 1033865999 /nfs/dbraw/zinc/86/59/99/1033865999.db2.gz SJDQAJLSKBLCON-QPJJXVBHSA-N -1 1 328.364 3.539 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2ccc3[nH]c(C(F)F)nc3c2)n1 ZINC000601432852 1034512409 /nfs/dbraw/zinc/51/24/09/1034512409.db2.gz IKBLODYNVBYIJH-VIFPVBQESA-N -1 1 332.335 3.756 20 30 EHEDMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(C#N)cc1 ZINC000066044325 1035166444 /nfs/dbraw/zinc/16/64/44/1035166444.db2.gz ZBRNMNNKYZGRKV-JTQLQIEISA-N -1 1 345.196 3.517 20 30 EHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)c1 ZINC000066588483 1035852790 /nfs/dbraw/zinc/85/27/90/1035852790.db2.gz CMCPBLQMGHPODU-UHFFFAOYSA-N -1 1 340.376 3.674 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000589438953 1036415494 /nfs/dbraw/zinc/41/54/94/1036415494.db2.gz IPOHDJPGVZUNDY-UHFFFAOYSA-N -1 1 347.436 3.759 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)cc1[O-] ZINC000452506730 1038633448 /nfs/dbraw/zinc/63/34/48/1038633448.db2.gz BWAFGOZGQRDRBI-AAEUAGOBSA-N -1 1 326.318 3.505 20 30 EHEDMM Cc1cc(C(C#N)=C([O-])c2cc3c(s2)CC[C@H](C)C3)nc(C)n1 ZINC000041574629 1039316421 /nfs/dbraw/zinc/31/64/21/1039316421.db2.gz CCVDNMFCZJEFBI-IINYFYTJSA-N -1 1 325.437 3.770 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NCCCCc2ccc(Cl)s2)c1 ZINC000586826109 1040601753 /nfs/dbraw/zinc/60/17/53/1040601753.db2.gz SXEKRBMNOBXDQN-UHFFFAOYSA-N -1 1 334.828 3.731 20 30 EHEDMM N#Cc1c(F)cc(CNC(=O)c2cc3ccccc3cc2[O-])cc1F ZINC000555544703 1040794772 /nfs/dbraw/zinc/79/47/72/1040794772.db2.gz PUZIAOLVAIQALG-UHFFFAOYSA-N -1 1 338.313 3.625 20 30 EHEDMM CCCCN1CCc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc21 ZINC000614300795 1040967528 /nfs/dbraw/zinc/96/75/28/1040967528.db2.gz TVFOMUDCIFUWSZ-UHFFFAOYSA-N -1 1 335.407 3.679 20 30 EHEDMM CCC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1F 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ZINC000767373023 1132991054 /nfs/dbraw/zinc/99/10/54/1132991054.db2.gz HFEAPDZATJOXCT-UHFFFAOYSA-N -1 1 344.212 3.949 20 30 EHEDMM CC(C)[C@@H]1CCCCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769807728 1133349735 /nfs/dbraw/zinc/34/97/35/1133349735.db2.gz RWJHQBBKTVFZEU-LBPRGKRZSA-N -1 1 344.463 3.901 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C/c2cn(C)nc2-c2ccccc2)c1 ZINC000771526533 1133571024 /nfs/dbraw/zinc/57/10/24/1133571024.db2.gz XUTOYUBWYXYVRP-CSKARUKUSA-N -1 1 334.375 3.697 20 30 EHEDMM COc1nccc(F)c1C(=O)[N-]c1sc2ccccc2c1C#N ZINC001185545422 1134110807 /nfs/dbraw/zinc/11/08/07/1134110807.db2.gz WYGLPFWEPDPVNS-UHFFFAOYSA-N -1 1 327.340 3.568 20 30 EHEDMM CC1(C)c2ccc([N+](=O)[O-])cc2C(=O)/C1=C\c1ccc([O-])c(F)c1 ZINC000788362037 1134116660 /nfs/dbraw/zinc/11/66/60/1134116660.db2.gz IKNPCRVTOKIZFV-VGOFMYFVSA-N -1 1 327.311 3.997 20 30 EHEDMM C=CCC1(C(=O)OCc2cc(=O)oc3cc([O-])c(CC)cc23)CCC1 ZINC000791561595 1134574121 /nfs/dbraw/zinc/57/41/21/1134574121.db2.gz ZYRFMOUIHMGYMY-UHFFFAOYSA-N -1 1 342.391 3.851 20 30 EHEDMM CCCc1nnsc1C(=O)[N-]c1sc2ccccc2c1C#N ZINC001190161615 1134665341 /nfs/dbraw/zinc/66/53/41/1134665341.db2.gz PBOCXMRJZFMISG-UHFFFAOYSA-N -1 1 328.422 3.829 20 30 EHEDMM Cc1noc(-c2ccccc2)c1NC(=O)Nc1ccc(C#N)cc1[O-] ZINC001190374281 1134693311 /nfs/dbraw/zinc/69/33/11/1134693311.db2.gz WIUQHELRFZPMAD-UHFFFAOYSA-N -1 1 334.335 3.871 20 30 EHEDMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1F ZINC001195308720 1135410771 /nfs/dbraw/zinc/41/07/71/1135410771.db2.gz SDKLMWYMVUPFQB-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM Cc1ncnc(C)c1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196309222 1135541111 /nfs/dbraw/zinc/54/11/11/1135541111.db2.gz QQYXHWVCYARBDO-UHFFFAOYSA-N -1 1 344.374 3.590 20 30 EHEDMM Cc1noc([N-]C(=O)c2cnc(-c3ccc(Cl)cc3)s2)c1C#N ZINC001196422632 1135561839 /nfs/dbraw/zinc/56/18/39/1135561839.db2.gz ZJDBDHPGKZTYKC-UHFFFAOYSA-N -1 1 344.783 3.884 20 30 EHEDMM N#Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Br)c1 ZINC001201222722 1135999645 /nfs/dbraw/zinc/99/96/45/1135999645.db2.gz PYOPAUFUFJCPFE-UHFFFAOYSA-N -1 1 334.129 3.678 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C#N ZINC001201287419 1136001205 /nfs/dbraw/zinc/00/12/05/1136001205.db2.gz JQTYDDJLPNGVPN-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM C=C[C@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000851451784 1136380121 /nfs/dbraw/zinc/38/01/21/1136380121.db2.gz DMFSYMBSPKOAMZ-HNNXBMFYSA-N -1 1 344.436 3.616 20 30 EHEDMM [O-]c1cccc(C=NNc2cncc(Br)c2)c1Cl ZINC000814887624 1136520444 /nfs/dbraw/zinc/52/04/44/1136520444.db2.gz UTMADDBEWKRWOL-UHFFFAOYSA-N -1 1 326.581 3.649 20 30 EHEDMM CC(C)C[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000822999525 1137082643 /nfs/dbraw/zinc/08/26/43/1137082643.db2.gz KKBNEPVVMVGXFK-SNVBAGLBSA-N -1 1 345.187 3.595 20 30 EHEDMM CC(C)CCN(CCC#N)C(=O)c1cc(Br)ccc1[O-] ZINC001144537311 1137306492 /nfs/dbraw/zinc/30/64/92/1137306492.db2.gz OEADGHYONXDUAX-UHFFFAOYSA-N -1 1 339.233 3.557 20 30 EHEDMM N#CC(C(=O)c1sccc1Br)=C([O-])C1=CCCCC1 ZINC000845846726 1137312280 /nfs/dbraw/zinc/31/22/80/1137312280.db2.gz YZFYUOGWJHTTKP-SNVBAGLBSA-N -1 1 338.226 3.903 20 30 EHEDMM C[C@@H](Oc1ccc(CN=Nc2cccc(Cl)c2F)cc1)C(=O)[O-] ZINC000794903888 1137335023 /nfs/dbraw/zinc/33/50/23/1137335023.db2.gz SJGXMVDKZUTCQV-SNVBAGLBSA-N -1 1 336.750 3.777 20 30 EHEDMM COC(=O)N(C)Cc1ccc(N[C@@H](C)c2cccc(C#N)c2[O-])cc1 ZINC000866318533 1137345376 /nfs/dbraw/zinc/34/53/76/1137345376.db2.gz ASENXPZHRVIOAY-ZDUSSCGKSA-N -1 1 339.395 3.635 20 30 EHEDMM CCNC(=O)Nc1ccc(C)c(N[C@@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866350021 1137348095 /nfs/dbraw/zinc/34/80/95/1137348095.db2.gz SOPKMDZVSRFTGO-ZDUSSCGKSA-N -1 1 338.411 3.887 20 30 EHEDMM N#Cc1oc2ccccc2c1[N-]C(=O)c1cnccc1C(F)(F)F ZINC001147263805 1137403701 /nfs/dbraw/zinc/40/37/01/1137403701.db2.gz MCRMRTLGDHAKAM-UHFFFAOYSA-N -1 1 331.253 3.971 20 30 EHEDMM Cc1cc(Br)c([O-])c(NC(=O)C2(C#N)CCCCC2)c1 ZINC000182924263 1140002127 /nfs/dbraw/zinc/00/21/27/1140002127.db2.gz XCPYZOYXYPSJIX-UHFFFAOYSA-N -1 1 337.217 3.876 20 30 EHEDMM CCOc1nc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)co1 ZINC001274492421 1141140384 /nfs/dbraw/zinc/14/03/84/1141140384.db2.gz NPIBBVHNHJZHAB-UWVGGRQHSA-N -1 1 345.424 3.945 20 30 EHEDMM C=C[C@@H](CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC000833371612 605059989 /nfs/dbraw/zinc/05/99/89/605059989.db2.gz RPKZZLWHVLUTSZ-LBPRGKRZSA-N -1 1 335.363 3.560 20 30 EHEDMM O=C([O-])c1ccccc1N=NCc1ccccc1OCC(F)(F)F ZINC000741760511 605099907 /nfs/dbraw/zinc/09/99/07/605099907.db2.gz YCYJUSZAZCOXBT-UHFFFAOYSA-N -1 1 338.285 3.772 20 30 EHEDMM O=C(C=Cc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826399986 608092235 /nfs/dbraw/zinc/09/22/35/608092235.db2.gz MFHWAVKHPDBERR-DUXPYHPUSA-N -1 1 334.763 3.617 20 30 EHEDMM O=C(C=Cc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826399986 608092236 /nfs/dbraw/zinc/09/22/36/608092236.db2.gz MFHWAVKHPDBERR-DUXPYHPUSA-N -1 1 334.763 3.617 20 30 EHEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)C1CCCCCC1 ZINC000823961867 946526739 /nfs/dbraw/zinc/52/67/39/946526739.db2.gz AOFVOQWQDUKYBK-UHFFFAOYSA-N -1 1 345.451 3.910 20 30 EHEDMM C[C@H](CN(Cc1ccccc1)Cc1ccc(C#N)cc1Cl)C(=O)[O-] ZINC001592604779 978546760 /nfs/dbraw/zinc/54/67/60/978546760.db2.gz NLGQAXAERJRLFT-CQSZACIVSA-N -1 1 342.826 3.935 20 30 EHEDMM CC[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cc(F)ccc1OC ZINC001595276586 980300778 /nfs/dbraw/zinc/30/07/78/980300778.db2.gz ISZKXKSCVQRTHG-AEFFLSMTSA-N -1 1 342.370 3.573 20 30 EHEDMM CC[C@@](NCc1cccc(C#N)c1F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595299626 980429418 /nfs/dbraw/zinc/42/94/18/980429418.db2.gz AEKJVDJGOVLFMC-SFHVURJKSA-N -1 1 346.789 3.830 20 30 EHEDMM CCCc1nc(C)cc(OCc2ccc(C#N)cc2OC)c1C(=O)[O-] ZINC001596089141 983410470 /nfs/dbraw/zinc/41/04/70/983410470.db2.gz BSLQHKLEMKNQPR-UHFFFAOYSA-N -1 1 340.379 3.500 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)n[nH]2)cc1 ZINC000126868618 1014958059 /nfs/dbraw/zinc/95/80/59/1014958059.db2.gz SESDVLQBKTWWLD-UHFFFAOYSA-N -1 1 344.440 3.520 20 30 EHEDMM CC(=O)Nc1cccc(C(C)N=Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001589205987 985673494 /nfs/dbraw/zinc/67/34/94/985673494.db2.gz SNYWJVHDSJORGV-UHFFFAOYSA-N -1 1 345.786 3.833 20 30 EHEDMM CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC001590515258 990124189 /nfs/dbraw/zinc/12/41/89/990124189.db2.gz BCRFQAOTVUXXTO-LLVKDONJSA-N -1 1 346.383 3.768 20 30 EHEDMM N#Cc1cccc(OCCCCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340328670 1016954004 /nfs/dbraw/zinc/95/40/04/1016954004.db2.gz DLXDSQDUQOXVGJ-UHFFFAOYSA-N -1 1 328.343 3.591 20 30 EHEDMM COC(=O)c1coc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1 ZINC000184778791 1032333128 /nfs/dbraw/zinc/33/31/28/1032333128.db2.gz FIPSDGFBAUCDEB-LLVKDONJSA-N -1 1 344.392 3.570 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(F)(F)F ZINC000083536701 1019256058 /nfs/dbraw/zinc/25/60/58/1019256058.db2.gz MCNNSOAGXSBBRI-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000083536696 1019256726 /nfs/dbraw/zinc/25/67/26/1019256726.db2.gz UTNSOHGMCWXCDC-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427244781 1021251096 /nfs/dbraw/zinc/25/10/96/1021251096.db2.gz XXIZKCNVUBFAFU-UHFFFAOYSA-N -1 1 332.400 3.623 20 30 EHEDMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427295051 1021287753 /nfs/dbraw/zinc/28/77/53/1021287753.db2.gz LRAWLWSPKXHYDN-UHFFFAOYSA-N -1 1 336.413 3.529 20 30 EHEDMM COc1ccc(Br)cc1/C=C/C(=O)c1cc(O)ccc1[O-] ZINC000137297356 1022345257 /nfs/dbraw/zinc/34/52/57/1022345257.db2.gz OFDCKGVBHHEOLP-GORDUTHDSA-N -1 1 349.180 3.765 20 30 EHEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1scnc1C1CC1 ZINC000328952210 1022538919 /nfs/dbraw/zinc/53/89/19/1022538919.db2.gz XOVZHHKODAFTMB-UHFFFAOYSA-N -1 1 332.429 3.758 20 30 EHEDMM COc1cc(C(=O)NCC[C@@H]2CCO[C@@H](C)C2)cc(Cl)c1[O-] ZINC000331283316 1022774103 /nfs/dbraw/zinc/77/41/03/1022774103.db2.gz RVDFUGVHKHGCRA-WDEREUQCSA-N -1 1 327.808 3.564 20 30 EHEDMM CCCc1nnc([N-]C(=O)c2nc(C)sc2Br)s1 ZINC000331301617 1022792839 /nfs/dbraw/zinc/79/28/39/1022792839.db2.gz ACUHKBOUSZWYKV-UHFFFAOYSA-N -1 1 347.263 3.654 20 30 EHEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1ncc(F)cc1F ZINC000192291113 1023980136 /nfs/dbraw/zinc/98/01/36/1023980136.db2.gz KAEJCYLQCRCTON-JTQLQIEISA-N -1 1 333.363 3.864 20 30 EHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000439620344 1024252432 /nfs/dbraw/zinc/25/24/32/1024252432.db2.gz JWIDQAJLOOCLPY-UHFFFAOYSA-N -1 1 349.843 3.753 20 30 EHEDMM Cc1c(=O)[n-]c(SCc2ccc(C#N)cc2)nc1-c1ccccc1 ZINC000185058279 1024275967 /nfs/dbraw/zinc/27/59/67/1024275967.db2.gz QCQIRHYPIAAPLQ-UHFFFAOYSA-N -1 1 333.416 3.909 20 30 EHEDMM CCOc1ccc(CN(C(=O)c2ccc(C#N)c([O-])c2)C(C)C)cc1 ZINC000442943534 1025613022 /nfs/dbraw/zinc/61/30/22/1025613022.db2.gz KUZQBZWGPPYKBY-UHFFFAOYSA-N -1 1 338.407 3.713 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1[O-] ZINC000442949128 1025616551 /nfs/dbraw/zinc/61/65/51/1025616551.db2.gz ZAOOTIIDNKEFFO-ZFWWWQNUSA-N -1 1 346.308 3.569 20 30 EHEDMM CCCC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(OC)cc1 ZINC000442962258 1025624775 /nfs/dbraw/zinc/62/47/75/1025624775.db2.gz DNMKQSTTZRIHDA-GOSISDBHSA-N -1 1 338.407 3.934 20 30 EHEDMM CC1(C)CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1C#N ZINC000277535182 1025761849 /nfs/dbraw/zinc/76/18/49/1025761849.db2.gz MWYBFTPCKHUUHH-ZDUSSCGKSA-N -1 1 326.318 3.565 20 30 EHEDMM C=CCCCCCN(C)C(=O)c1ccc(Br)cc1[O-] ZINC000436533225 1025842566 /nfs/dbraw/zinc/84/25/66/1025842566.db2.gz XMTMQSQJDDQFPC-UHFFFAOYSA-N -1 1 326.234 3.973 20 30 EHEDMM N#CCC1(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000451495555 1026038547 /nfs/dbraw/zinc/03/85/47/1026038547.db2.gz JIRJLZMACVYFCB-UHFFFAOYSA-N -1 1 340.857 3.527 20 30 EHEDMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc12 ZINC000479532689 1026676968 /nfs/dbraw/zinc/67/69/68/1026676968.db2.gz QIIZUSJXROVWOW-UHFFFAOYSA-N -1 1 326.377 3.722 20 30 EHEDMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccc(C#N)cc1 ZINC000343188074 1029680958 /nfs/dbraw/zinc/68/09/58/1029680958.db2.gz MRLJDRSKRHBFPM-SNVBAGLBSA-N -1 1 345.196 3.517 20 30 EHEDMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)oc1C ZINC000128756467 1030817161 /nfs/dbraw/zinc/81/71/61/1030817161.db2.gz JDCDOPZQMWDNBM-NSHDSACASA-N -1 1 334.734 3.650 20 30 EHEDMM Cc1nc(-c2ccc(CNC(=O)c3ccc(C#N)c([O-])c3)cc2)cs1 ZINC000527486825 1030928227 /nfs/dbraw/zinc/92/82/27/1030928227.db2.gz NBZSSCKWIGMUHH-UHFFFAOYSA-N -1 1 349.415 3.626 20 30 EHEDMM O=C(C(=O)N([O-])CCCCc1ccccc1)c1ccc(Cl)s1 ZINC000904197357 1031843827 /nfs/dbraw/zinc/84/38/27/1031843827.db2.gz ACCLSHFAYMZDER-UHFFFAOYSA-N -1 1 337.828 3.825 20 30 EHEDMM Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000059404902 1033626168 /nfs/dbraw/zinc/62/61/68/1033626168.db2.gz HPIKVQJFACLNLG-CSKARUKUSA-N -1 1 349.346 3.895 20 30 EHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(C(C)(C)C)cs1 ZINC000188296152 1034289444 /nfs/dbraw/zinc/28/94/44/1034289444.db2.gz SATYZNBPEVLRCI-JTQLQIEISA-N -1 1 329.425 3.509 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2ccc3[nH]c(C(F)F)nc3c2)n1 ZINC000601432851 1034512919 /nfs/dbraw/zinc/51/29/19/1034512919.db2.gz IKBLODYNVBYIJH-SECBINFHSA-N -1 1 332.335 3.756 20 30 EHEDMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055548859 1035613193 /nfs/dbraw/zinc/61/31/93/1035613193.db2.gz WDPXKCRBHDWRRI-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM Cc1ccc(C[C@H]2CCCN(C(=O)c3cc([O-])cc(C#N)c3)C2)cc1 ZINC000589175142 1036272558 /nfs/dbraw/zinc/27/25/58/1036272558.db2.gz MTBONHSYZOKULJ-QGZVFWFLSA-N -1 1 334.419 3.667 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NCCCCCc2ccc(F)cc2)c1 ZINC000589207949 1036312750 /nfs/dbraw/zinc/31/27/50/1036312750.db2.gz FFPNVAZKPRKHGN-UHFFFAOYSA-N -1 1 326.371 3.546 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2CCCc2ccccc2)cc1[O-] ZINC000188894555 1037550879 /nfs/dbraw/zinc/55/08/79/1037550879.db2.gz CFPZCJHIJKSOLB-IBGZPJMESA-N -1 1 334.419 3.891 20 30 EHEDMM CC[C@H](NCc1nnc(C(C)(C)C)s1)c1cccc(C#N)c1[O-] ZINC000925519539 1038030947 /nfs/dbraw/zinc/03/09/47/1038030947.db2.gz SJDQUXHYHCTXBK-ZDUSSCGKSA-N -1 1 330.457 3.654 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1[O-] ZINC000600188313 1040782910 /nfs/dbraw/zinc/78/29/10/1040782910.db2.gz AAIPZNWSJMJPNC-OAHLLOKOSA-N -1 1 342.345 3.562 20 30 EHEDMM CCOc1nc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)co1 ZINC000613945280 1043028261 /nfs/dbraw/zinc/02/82/61/1043028261.db2.gz RIFOAFZWFCNWBB-LLVKDONJSA-N -1 1 331.397 3.720 20 30 EHEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000194142943 1120824619 /nfs/dbraw/zinc/82/46/19/1120824619.db2.gz BWUPCNJSDMYYMN-UHFFFAOYSA-N -1 1 332.400 3.736 20 30 EHEDMM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000918126685 1122758664 /nfs/dbraw/zinc/75/86/64/1122758664.db2.gz DTPKYBCZRKLAAV-MRXNPFEDSA-N -1 1 346.346 3.831 20 30 EHEDMM CSCc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000114674022 1129179603 /nfs/dbraw/zinc/17/96/03/1129179603.db2.gz MEYVNPQXAFVSNS-UHFFFAOYSA-N -1 1 332.450 3.531 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)ccc1C(F)(F)F ZINC000555119929 1129550049 /nfs/dbraw/zinc/55/00/49/1129550049.db2.gz MOPKRPIZMUCXTD-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM COC(=O)c1sc(SC)c(C#N)c1Nc1cccc([O-])c1F ZINC001212546506 1130349017 /nfs/dbraw/zinc/34/90/17/1130349017.db2.gz MOXBIMRWRMNJJH-UHFFFAOYSA-N -1 1 338.385 3.717 20 30 EHEDMM COc1ccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)c(Cl)c1OC ZINC000730434544 1130710082 /nfs/dbraw/zinc/71/00/82/1130710082.db2.gz RDSVHUTXJGXUFL-AUWJEWJLSA-N -1 1 346.766 3.987 20 30 EHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccccc1OCC(F)(F)F ZINC000741847322 1131655993 /nfs/dbraw/zinc/65/59/93/1131655993.db2.gz FIWJYUUPFKBXCN-VIZOYTHASA-N -1 1 336.265 3.950 20 30 EHEDMM COCCCOc1cccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)c1 ZINC000746341539 1132477249 /nfs/dbraw/zinc/47/72/49/1132477249.db2.gz BXNICCRYWVBJAH-WQRHYEAKSA-N -1 1 340.375 3.732 20 30 EHEDMM CCCCCCC(C=Nn1c(=O)cn[n-]c1=S)=Cc1ccccc1 ZINC000766483417 1132557721 /nfs/dbraw/zinc/55/77/21/1132557721.db2.gz VMRFLBFUUIRVRZ-LRCFJTCLSA-N -1 1 342.468 3.815 20 30 EHEDMM C[C@@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC[C@@H]1C ZINC000767377893 1132992140 /nfs/dbraw/zinc/99/21/40/1132992140.db2.gz KBOLZILDZSWMQM-WDEREUQCSA-N -1 1 330.436 3.511 20 30 EHEDMM N#Cc1ccc(NC(=O)/C=C/c2cccc(OC(F)(F)F)c2)c([O-])c1 ZINC001179945821 1133303666 /nfs/dbraw/zinc/30/36/66/1133303666.db2.gz FZKRTKHHZZATQE-FNORWQNLSA-N -1 1 348.280 3.814 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1[O-] ZINC000785592562 1133724233 /nfs/dbraw/zinc/72/42/33/1133724233.db2.gz XKZIYSVOUBATPP-INIZCTEOSA-N -1 1 328.318 3.519 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1Cl ZINC000780716501 1134123833 /nfs/dbraw/zinc/12/38/33/1134123833.db2.gz VCJRWVUJUUKVAI-UHFFFAOYSA-N -1 1 342.754 3.950 20 30 EHEDMM CC(CCC(C)(C)C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000789017841 1134209099 /nfs/dbraw/zinc/20/90/99/1134209099.db2.gz LJJJDBVTOPUQFC-UHFFFAOYSA-N -1 1 332.452 3.901 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1c(F)cccc1C(=O)OC ZINC001188012844 1134416040 /nfs/dbraw/zinc/41/60/40/1134416040.db2.gz FZMYNYCASKDPCG-UHFFFAOYSA-N -1 1 345.436 3.715 20 30 EHEDMM COc1cccc(-c2cc(C(=O)[N-]c3ccsc3C#N)no2)c1 ZINC001189977195 1134638940 /nfs/dbraw/zinc/63/89/40/1134638940.db2.gz AWCXXABTSVQBNH-UHFFFAOYSA-N -1 1 325.349 3.536 20 30 EHEDMM N#Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)c([O-])c1 ZINC001190574510 1134720584 /nfs/dbraw/zinc/72/05/84/1134720584.db2.gz FVJVKRAJNVVWFI-UHFFFAOYSA-N -1 1 327.390 3.701 20 30 EHEDMM CN(C)C(=O)c1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1 ZINC000792925046 1134827808 /nfs/dbraw/zinc/82/78/08/1134827808.db2.gz RAOBGEOZICJTBZ-YCRREMRBSA-N -1 1 329.783 3.644 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1F ZINC000793348929 1134916956 /nfs/dbraw/zinc/91/69/56/1134916956.db2.gz HBZVIPWKWUWWDS-UHFFFAOYSA-N -1 1 326.352 3.651 20 30 EHEDMM CCCCCCC[C@H](C)NC(=O)Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001192938667 1135079864 /nfs/dbraw/zinc/07/98/64/1135079864.db2.gz OURBGLUJPKVCMU-AWEZNQCLSA-N -1 1 349.475 3.965 20 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/nfs/dbraw/zinc/00/37/00/1136003700.db2.gz XSKKNHFDCFFGIB-UHFFFAOYSA-N -1 1 349.415 3.730 20 30 EHEDMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2csc(C#N)c2)c(C)c1C ZINC001201794388 1136063543 /nfs/dbraw/zinc/06/35/43/1136063543.db2.gz FRKOTCDAJFIYHG-UHFFFAOYSA-N -1 1 334.466 3.963 20 30 EHEDMM N#Cc1c([O-])csc1NC(=O)Nc1ccccc1C(F)(F)F ZINC001202154153 1136100922 /nfs/dbraw/zinc/10/09/22/1136100922.db2.gz DFYNKRYOUOEAEW-UHFFFAOYSA-N -1 1 327.287 3.988 20 30 EHEDMM C[C@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C[C@@H](C)C1 ZINC000747750389 1136154618 /nfs/dbraw/zinc/15/46/18/1136154618.db2.gz SMFTXJFOQGNCLQ-PHIMTYICSA-N -1 1 330.436 3.511 20 30 EHEDMM CCC(=[NH+][N-]c1ccc(C(=O)[O-])cc1OC)c1ccc(Cl)c(N)c1 ZINC000814888023 1136520925 /nfs/dbraw/zinc/52/09/25/1136520925.db2.gz VYHFWIWUJBLKMP-UHFFFAOYSA-N -1 1 347.802 3.855 20 30 EHEDMM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ncoc1C1CC1 ZINC000815907449 1136647019 /nfs/dbraw/zinc/64/70/19/1136647019.db2.gz ATSJLEYSEPPCCN-HNNXBMFYSA-N -1 1 345.358 3.666 20 30 EHEDMM CC(=NNc1cccc(C(F)(F)F)n1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776772211 1136659380 /nfs/dbraw/zinc/65/93/80/1136659380.db2.gz NGKQRXXZEFTJJO-UHFFFAOYSA-N -1 1 341.264 3.774 20 30 EHEDMM CN(C)Cc1cccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)c1 ZINC000821017675 1137013980 /nfs/dbraw/zinc/01/39/80/1137013980.db2.gz LLVLQFJOFXCBMC-KTKRTIGZSA-N -1 1 343.810 3.996 20 30 EHEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000825011636 1137160054 /nfs/dbraw/zinc/16/00/54/1137160054.db2.gz QWYQLEBHQZIFBF-GXTWGEPZSA-N -1 1 339.361 3.668 20 30 EHEDMM O=C(/C=C\c1c(Cl)nc2sccn12)c1ccc2nc([O-])oc2c1 ZINC000794716524 1137243134 /nfs/dbraw/zinc/24/31/34/1137243134.db2.gz SPGOQQFNEZZSCH-ARJAWSKDSA-N -1 1 345.767 3.792 20 30 EHEDMM O=C(c1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)cc1)N1CCCC1 ZINC000865216486 1137268720 /nfs/dbraw/zinc/26/87/20/1137268720.db2.gz CPLDTYWAHCEHQI-QGOAFFKASA-N -1 1 347.414 3.841 20 30 EHEDMM N#Cc1cccc(O[N-]C(=O)c2cc3sccc3nc2Cl)c1 ZINC001171256011 1137374794 /nfs/dbraw/zinc/37/47/94/1137374794.db2.gz REJOHPZUDHWNRB-UHFFFAOYSA-N -1 1 329.768 3.545 20 30 EHEDMM Cc1sc([N-]C(=O)c2ncsc2C(F)(F)F)c(C#N)c1C ZINC000338414407 1138902975 /nfs/dbraw/zinc/90/29/75/1138902975.db2.gz YSKUGKWUXBUFDC-UHFFFAOYSA-N -1 1 331.344 3.964 20 30 EHEDMM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1Cl ZINC000827718790 601305661 /nfs/dbraw/zinc/30/56/61/601305661.db2.gz YCGKKOIACAMEPJ-HWPZZCPQSA-N -1 1 332.762 3.827 20 30 EHEDMM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1Cl ZINC000827718793 601305674 /nfs/dbraw/zinc/30/56/74/601305674.db2.gz YCGKKOIACAMEPJ-QLJPJBMISA-N -1 1 332.762 3.827 20 30 EHEDMM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000833386628 605155914 /nfs/dbraw/zinc/15/59/14/605155914.db2.gz NDOZLNTVOCOMTN-UHFFFAOYSA-N -1 1 330.771 3.809 20 30 EHEDMM N#CC(C(=O)Cc1ccccc1NC(=O)[O-])c1ccc2ccccc2n1 ZINC000833959834 606091856 /nfs/dbraw/zinc/09/18/56/606091856.db2.gz DFSJBPMLPVBETF-OAHLLOKOSA-N -1 1 345.358 3.744 20 30 EHEDMM Clc1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000822578948 606371128 /nfs/dbraw/zinc/37/11/28/606371128.db2.gz UDQPOGLKOWUKGM-UHFFFAOYSA-N -1 1 339.211 3.681 20 30 EHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCCC(C)(C)C2)o1 ZINC000824352753 607782902 /nfs/dbraw/zinc/78/29/02/607782902.db2.gz LSNMVJKRRNYFQX-LLVKDONJSA-N -1 1 331.424 3.592 20 30 EHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000460839895 1032077450 /nfs/dbraw/zinc/07/74/50/1032077450.db2.gz XQBPCHASQJCRKC-UHFFFAOYSA-N -1 1 335.400 3.808 20 30 EHEDMM O=C([O-])c1ccc(NN=Cc2cc(C(F)(F)F)ccc2Cl)nc1 ZINC000763372393 978722560 /nfs/dbraw/zinc/72/25/60/978722560.db2.gz XLBKDJDASPCQLM-UHFFFAOYSA-N -1 1 343.692 3.898 20 30 EHEDMM C#Cc1cccc(CNCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1 ZINC001588522181 983569775 /nfs/dbraw/zinc/56/97/75/983569775.db2.gz GQNKFZLESITRDE-UHFFFAOYSA-N -1 1 331.371 3.916 20 30 EHEDMM CC(=NNc1cccc(C(=O)[O-])c1F)c1c(C)nn(C(C)C)c1C ZINC001589017397 985003095 /nfs/dbraw/zinc/00/30/95/985003095.db2.gz LCNAHXLBPRCNTJ-UHFFFAOYSA-N -1 1 332.379 3.754 20 30 EHEDMM CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC001590515259 990124417 /nfs/dbraw/zinc/12/44/17/990124417.db2.gz BCRFQAOTVUXXTO-NSHDSACASA-N -1 1 346.383 3.768 20 30 EHEDMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C ZINC000134768338 1015775282 /nfs/dbraw/zinc/77/52/82/1015775282.db2.gz LZUUVRVLDQNAEC-UHFFFAOYSA-N -1 1 348.811 3.524 20 30 EHEDMM N#C[C@H](NC(=O)c1ccc([O-])cc1F)c1cccc(Cl)c1Cl ZINC000181962624 1017038682 /nfs/dbraw/zinc/03/86/82/1017038682.db2.gz WRBRPRAKSHEKFU-ZDUSSCGKSA-N -1 1 339.153 3.833 20 30 EHEDMM Cc1ccc([O-])c(C(=O)/C=C/c2ccc(N3CCC(O)CC3)cc2)c1 ZINC000905072478 1032341274 /nfs/dbraw/zinc/34/12/74/1032341274.db2.gz FFEVLYXRKMGSIZ-WEVVVXLNSA-N -1 1 337.419 3.558 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1 ZINC000039536394 1032682687 /nfs/dbraw/zinc/68/26/87/1032682687.db2.gz BVMKORZLJGXFJE-UHFFFAOYSA-N -1 1 334.400 3.611 20 30 EHEDMM CC(C)Oc1c(Cl)cccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614369836 1018866499 /nfs/dbraw/zinc/86/64/99/1018866499.db2.gz ANUNEKOYPSPBGD-UHFFFAOYSA-N -1 1 330.771 3.957 20 30 EHEDMM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427240438 1021245911 /nfs/dbraw/zinc/24/59/11/1021245911.db2.gz ABEOUGQOKPRPNK-UHFFFAOYSA-N -1 1 332.400 3.623 20 30 EHEDMM C=CCN(CCc1ccco1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436981543 1021439644 /nfs/dbraw/zinc/43/96/44/1021439644.db2.gz QWDFURCPBXLASU-UHFFFAOYSA-N -1 1 339.313 3.875 20 30 EHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C3CC3)c2)n1 ZINC000516581053 1021568058 /nfs/dbraw/zinc/56/80/58/1021568058.db2.gz ALSSBWGEVXAXPS-CQSZACIVSA-N -1 1 340.404 3.687 20 30 EHEDMM CC(C)(C)C1CCC(O)(CNC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000330881663 1022693979 /nfs/dbraw/zinc/69/39/79/1022693979.db2.gz ZLXWBTVGTMJFSH-UHFFFAOYSA-N -1 1 341.398 3.942 20 30 EHEDMM C=CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000426826354 1023070682 /nfs/dbraw/zinc/07/06/82/1023070682.db2.gz DUNGXUUZZSJSEX-SFHVURJKSA-N -1 1 347.361 3.835 20 30 EHEDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000476283153 1033110111 /nfs/dbraw/zinc/11/01/11/1033110111.db2.gz HEOHFCOPKCAUST-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc4c3CCCC4)nc1-2 ZINC000330247054 1024370830 /nfs/dbraw/zinc/37/08/30/1024370830.db2.gz LOEZXOLDFKBGAN-GFCCVEGCSA-N -1 1 336.420 3.697 20 30 EHEDMM COc1cc2c(c(/C=C3/Oc4cc([O-])cc(C)c4C3=O)c1)O[C@H](C)C2 ZINC000728440913 1024494998 /nfs/dbraw/zinc/49/49/98/1024494998.db2.gz XYUFBRADNHZTLP-SXGUVYOMSA-N -1 1 338.359 3.649 20 30 EHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000443421633 1026019793 /nfs/dbraw/zinc/01/97/93/1026019793.db2.gz YTFNPAVXUMZXQV-UHFFFAOYSA-N -1 1 347.436 3.623 20 30 EHEDMM CCOC(=O)c1scnc1/C=C\C(=O)c1c(C)cc(C)cc1[O-] ZINC000799894806 1027865858 /nfs/dbraw/zinc/86/58/58/1027865858.db2.gz FWACAQPPPVEIKM-WAYWQWQTSA-N -1 1 331.393 3.538 20 30 EHEDMM COc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)c(O)c1 ZINC000588559597 1028340956 /nfs/dbraw/zinc/34/09/56/1028340956.db2.gz RZRBAKFKZYZQIX-YVMONPNESA-N -1 1 332.739 3.649 20 30 EHEDMM N#CC(=C([O-])c1ccc2c(n1)CCCC2)c1cc(C(F)(F)F)ccn1 ZINC000583178125 1029139702 /nfs/dbraw/zinc/13/97/02/1029139702.db2.gz PEZGZZLJDGUPPO-CYBMUJFWSA-N -1 1 345.324 3.864 20 30 EHEDMM CC(C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C1CC1 ZINC000161886830 1030772897 /nfs/dbraw/zinc/77/28/97/1030772897.db2.gz PIJBGYMNBMQVLI-CQSZACIVSA-N -1 1 347.422 3.718 20 30 EHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000179029112 1031463884 /nfs/dbraw/zinc/46/38/84/1031463884.db2.gz ILDPYLNCIIQEBG-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000168595875 1031484863 /nfs/dbraw/zinc/48/48/63/1031484863.db2.gz BLCWXEIKUSGUBI-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM N#CC(=C([O-])c1cc2nc[nH]c2cc1F)c1nc(C2CC2)cs1 ZINC000647379919 1034123848 /nfs/dbraw/zinc/12/38/48/1034123848.db2.gz YPOCPUKAAOXVOS-SNVBAGLBSA-N -1 1 326.356 3.526 20 30 EHEDMM N#CC(=C([O-])c1ccc2c(c1)OC(F)(F)O2)c1nc(C2CC2)cs1 ZINC000647380184 1034126276 /nfs/dbraw/zinc/12/62/76/1034126276.db2.gz RXXICPBNCZQLRR-SNVBAGLBSA-N -1 1 348.330 3.832 20 30 EHEDMM CSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000171960047 1034724179 /nfs/dbraw/zinc/72/41/79/1034724179.db2.gz IWHCNBDBJKZGHD-NSHDSACASA-N -1 1 334.784 3.616 20 30 EHEDMM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000450978975 1035009596 /nfs/dbraw/zinc/00/95/96/1035009596.db2.gz NGHDNJQVDWDFMA-LLVKDONJSA-N -1 1 342.873 3.771 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C\c2cc(Cl)c(O)c(OC)c2)c1 ZINC000255883127 1035403371 /nfs/dbraw/zinc/40/33/71/1035403371.db2.gz ZTXJPCLVAPKXDV-HYXAFXHYSA-N -1 1 334.755 3.665 20 30 EHEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2nc3ccc(F)cc3s2)c1 ZINC000761478025 1036124206 /nfs/dbraw/zinc/12/42/06/1036124206.db2.gz DMJJUASHARKEDU-AATRIKPKSA-N -1 1 343.335 3.735 20 30 EHEDMM Cc1c(NC(=O)c2cc([O-])cc(C#N)c2)cnn1-c1cc(C)ccc1C ZINC000589191870 1036300503 /nfs/dbraw/zinc/30/05/03/1036300503.db2.gz PYBDTQZXFUMCGK-UHFFFAOYSA-N -1 1 346.390 3.627 20 30 EHEDMM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](C)c1ccccc1OC ZINC000442953660 1036765310 /nfs/dbraw/zinc/76/53/10/1036765310.db2.gz YNHMDLXPXAXRLU-AWEZNQCLSA-N -1 1 338.407 3.886 20 30 EHEDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000031667844 1037806477 /nfs/dbraw/zinc/80/64/77/1037806477.db2.gz GALOOHDXHYKNMR-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM Cc1cc(CSc2nc([O-])cc(=O)n2C2CCCC2)ccc1C#N ZINC000447294125 1038777976 /nfs/dbraw/zinc/77/79/76/1038777976.db2.gz DKOABKXMCWDADE-UHFFFAOYSA-N -1 1 341.436 3.536 20 30 EHEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)sc1Cl ZINC000029388970 1040568443 /nfs/dbraw/zinc/56/84/43/1040568443.db2.gz NNHLMJAKJOYQPB-UHFFFAOYSA-N -1 1 331.106 3.828 20 30 EHEDMM C[C@]1(c2ccccc2)CCCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000586877387 1041060255 /nfs/dbraw/zinc/06/02/55/1041060255.db2.gz FEISDYRSOKNMPQ-NRFANRHFSA-N -1 1 334.419 3.848 20 30 EHEDMM COc1cc(/C=C\C(=O)c2ccc([O-])cc2)c(Br)cc1O ZINC000214135163 1129179545 /nfs/dbraw/zinc/17/95/45/1129179545.db2.gz JMKJOGYUMIQXBA-DAXSKMNVSA-N -1 1 349.180 3.765 20 30 EHEDMM CC(C)Oc1ncccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000671279026 1126828839 /nfs/dbraw/zinc/82/88/39/1126828839.db2.gz ZIWZIEISQDXHFS-INIZCTEOSA-N -1 1 331.375 3.907 20 30 EHEDMM N#CC(=C([O-])c1ccc(-n2ccnc2)cc1)c1nc2ccccc2o1 ZINC000193276403 1127435192 /nfs/dbraw/zinc/43/51/92/1127435192.db2.gz LBYUIWRNPMQOAX-OAHLLOKOSA-N -1 1 328.331 3.504 20 30 EHEDMM C=CC[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccncc1 ZINC000764279321 1127472812 /nfs/dbraw/zinc/47/28/12/1127472812.db2.gz JJUUJTFAMONVEM-CQSZACIVSA-N -1 1 347.212 3.597 20 30 EHEDMM Cc1nc(-c2ccc(N[C@H](C)c3cccc(C#N)c3)nc2)[n-]c(=O)c1C ZINC000301457819 1128592481 /nfs/dbraw/zinc/59/24/81/1128592481.db2.gz SOJRYLIAYFEYIE-CQSZACIVSA-N -1 1 345.406 3.906 20 30 EHEDMM N#Cc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)c(Cl)c1 ZINC000554943355 1128919630 /nfs/dbraw/zinc/91/96/30/1128919630.db2.gz UVWRNQOSWMAELT-UHFFFAOYSA-N -1 1 327.743 3.937 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2CC#N)ccc1OC(C)C ZINC000193357096 1120772181 /nfs/dbraw/zinc/77/21/81/1120772181.db2.gz XDIFNYJADUWAOQ-UHFFFAOYSA-N -1 1 344.436 3.649 20 30 EHEDMM C#CCOc1ccc(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)cc1 ZINC000762597119 1121374919 /nfs/dbraw/zinc/37/49/19/1121374919.db2.gz AUXNUMAYFBABQM-UHFFFAOYSA-N -1 1 345.782 3.709 20 30 EHEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c1 ZINC000917732706 1122673302 /nfs/dbraw/zinc/67/33/02/1122673302.db2.gz WYHPHNVOORKZGJ-UHFFFAOYSA-N -1 1 337.400 3.631 20 30 EHEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000921269470 1123503376 /nfs/dbraw/zinc/50/33/76/1123503376.db2.gz MOYGWFVCOJHCAM-BHQIHCQQSA-N -1 1 327.767 3.826 20 30 EHEDMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000609877132 1123682408 /nfs/dbraw/zinc/68/24/08/1123682408.db2.gz ZTHPLQQAZFNEFB-UHFFFAOYSA-N -1 1 332.400 3.623 20 30 EHEDMM CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(C#N)c([O-])c1 ZINC000615437997 1123798973 /nfs/dbraw/zinc/79/89/73/1123798973.db2.gz HHHWRGJZJFTYLR-UHFFFAOYSA-N -1 1 335.190 3.843 20 30 EHEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1nccn1Cc1ccccc1 ZINC000734096331 1131192292 /nfs/dbraw/zinc/19/22/92/1131192292.db2.gz YWWBSUZWOMPFKK-LGMDPLHJSA-N -1 1 330.387 3.850 20 30 EHEDMM CC[C@H]1C[C@H](C)CCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769585327 1133316718 /nfs/dbraw/zinc/31/67/18/1133316718.db2.gz LXXYFCGHCLPRPU-NEPJUHHUSA-N -1 1 344.463 3.901 20 30 EHEDMM C[C@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC(C)(C)C1 ZINC000769813244 1133350741 /nfs/dbraw/zinc/35/07/41/1133350741.db2.gz QPZRTGVTXFONHS-NSHDSACASA-N -1 1 344.463 3.901 20 30 EHEDMM Cc1cc(Br)ccc1NC(=O)Nc1ccc(C#N)cc1[O-] ZINC001184821269 1133994295 /nfs/dbraw/zinc/99/42/95/1133994295.db2.gz ZFHDFZKTVZTKPW-UHFFFAOYSA-N -1 1 346.184 3.979 20 30 EHEDMM COc1ccc2nc(/C=C\C(=O)c3cc(OC)ccc3[O-])sc2c1 ZINC000788732147 1134167221 /nfs/dbraw/zinc/16/72/21/1134167221.db2.gz OEOUDXQHZIIGOP-FPLPWBNLSA-N -1 1 341.388 3.915 20 30 EHEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(OC(C)C)c(Cl)c1 ZINC000788928327 1134190035 /nfs/dbraw/zinc/19/00/35/1134190035.db2.gz GIHSDIVUSHVQEO-UHFFFAOYSA-N -1 1 334.807 3.767 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cnc(C(F)(F)F)nc1 ZINC001187994397 1134410707 /nfs/dbraw/zinc/41/07/07/1134410707.db2.gz KPVJBKFFPRLXMO-UHFFFAOYSA-N -1 1 339.383 3.598 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(Cl)cc1F ZINC001190651265 1134732257 /nfs/dbraw/zinc/73/22/57/1134732257.db2.gz YWGAWILAOLPCRV-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(-c2nc3ccccc3s2)c1 ZINC001193146914 1135109414 /nfs/dbraw/zinc/10/94/14/1135109414.db2.gz UAJQIECYLMRTHH-NSHDSACASA-N -1 1 343.433 3.617 20 30 EHEDMM Cc1c(Cl)cc(NC(=O)c2ccc(O)c(C#N)c2)c([O-])c1Cl ZINC001193505042 1135147898 /nfs/dbraw/zinc/14/78/98/1135147898.db2.gz IVIMPPQMEPJHAX-UHFFFAOYSA-N -1 1 337.162 3.837 20 30 EHEDMM CCOC(=O)NC(=S)[N-]c1ccc(-c2ccc(C#N)cc2)cc1 ZINC001195449037 1135424676 /nfs/dbraw/zinc/42/46/76/1135424676.db2.gz BDPQLXLMXLVVBZ-UHFFFAOYSA-N -1 1 325.393 3.668 20 30 EHEDMM O=C([O-])c1ccc(C(=O)/C=C\c2ccccc2OC(F)F)c(O)c1 ZINC000806558582 1135459449 /nfs/dbraw/zinc/45/94/49/1135459449.db2.gz GUIBUSIVLYJZLH-VURMDHGXSA-N -1 1 334.274 3.588 20 30 EHEDMM N#Cc1ccc(-c2ccc(C(=O)[N-]c3noc4cccnc34)o2)cc1 ZINC001197386495 1135682708 /nfs/dbraw/zinc/68/27/08/1135682708.db2.gz HWNWUSQNUCCHRB-UHFFFAOYSA-N -1 1 330.303 3.607 20 30 EHEDMM COc1ccccc1-c1cc(C(=O)[N-]c2scc(C)c2C#N)no1 ZINC000809005705 1135767504 /nfs/dbraw/zinc/76/75/04/1135767504.db2.gz SZENEGYKAJIMAM-UHFFFAOYSA-N -1 1 339.376 3.844 20 30 EHEDMM COc1ccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)cc1O ZINC000811699354 1136127530 /nfs/dbraw/zinc/12/75/30/1136127530.db2.gz SEVVCDQYMGDQAW-DJWKRKHSSA-N -1 1 349.180 3.765 20 30 EHEDMM C[C@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C[C@H](C)C1 ZINC000747750388 1136154230 /nfs/dbraw/zinc/15/42/30/1136154230.db2.gz SMFTXJFOQGNCLQ-GHMZBOCLSA-N -1 1 330.436 3.511 20 30 EHEDMM C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]1C ZINC000814830168 1136512706 /nfs/dbraw/zinc/51/27/06/1136512706.db2.gz ZYKCBIBLODYWJN-KGLIPLIRSA-N -1 1 343.452 3.931 20 30 EHEDMM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1cccc(C(F)(F)F)n1 ZINC000814853179 1136515926 /nfs/dbraw/zinc/51/59/26/1136515926.db2.gz GJGAMPUYSXGZMC-UHFFFAOYSA-N -1 1 337.301 3.861 20 30 EHEDMM Cc1cccc(F)c1N=NC(C)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814904833 1136522472 /nfs/dbraw/zinc/52/24/72/1136522472.db2.gz AUARRTAVBLQFLZ-ZDUSSCGKSA-N -1 1 330.359 3.822 20 30 EHEDMM O=c1[n-]c(N=NC2CCC[C@@H]2Cc2ccccn2)nc2ccccc21 ZINC000853318310 1136525657 /nfs/dbraw/zinc/52/56/57/1136525657.db2.gz ASXPJICWUXYXRB-CYBMUJFWSA-N -1 1 333.395 3.541 20 30 EHEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OCCC2CC2)s1 ZINC000819540087 1136949196 /nfs/dbraw/zinc/94/91/96/1136949196.db2.gz GXHIMJNONDPTQI-UHFFFAOYSA-N -1 1 346.905 3.687 20 30 EHEDMM C=CCN(Cc1ccccc1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000117319194 1137050261 /nfs/dbraw/zinc/05/02/61/1137050261.db2.gz FFRQNHNTRFANNO-UHFFFAOYSA-N -1 1 337.452 3.648 20 30 EHEDMM C#C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)c1ccc(F)cc1 ZINC000794892459 1137325520 /nfs/dbraw/zinc/32/55/20/1137325520.db2.gz UQXRCMAHHATCMO-OAHLLOKOSA-N -1 1 347.773 3.688 20 30 EHEDMM C[C@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1cccc(C#N)c1[O-] ZINC000866332834 1137346548 /nfs/dbraw/zinc/34/65/48/1137346548.db2.gz HBUCMODPVRGNOJ-CABCVRRESA-N -1 1 337.423 3.662 20 30 EHEDMM O=C(/C=C\c1c(F)cccc1Br)c1cc(O)ccc1[O-] ZINC000794941205 1137373409 /nfs/dbraw/zinc/37/34/09/1137373409.db2.gz KPSZSYHSTFSSQG-ALCCZGGFSA-N -1 1 337.144 3.896 20 30 EHEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC001147692954 1137411105 /nfs/dbraw/zinc/41/11/05/1137411105.db2.gz IJBXJQRGBNCVGB-BONVTDFDSA-N -1 1 326.318 3.613 20 30 EHEDMM CCOc1cc(/C=C2/c3ccc(C#N)cc3NC2=O)cc(Cl)c1[O-] ZINC000773161587 1137471625 /nfs/dbraw/zinc/47/16/25/1137471625.db2.gz RBPXKWGBLACIIR-ACAGNQJTSA-N -1 1 340.766 3.809 20 30 EHEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC000208087292 241065341 /nfs/dbraw/zinc/06/53/41/241065341.db2.gz QFEONBQLVWXYSQ-XQRVVYSFSA-N -1 1 343.766 3.898 20 30 EHEDMM O=C([O-])c1ccccc1N=NCc1ccccc1OCc1ccccn1 ZINC000819840511 605098868 /nfs/dbraw/zinc/09/88/68/605098868.db2.gz CVYCHXCHQTYRIR-UHFFFAOYSA-N -1 1 347.374 3.805 20 30 EHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)[C@H](C)c2ccccc2)o1 ZINC000819782881 606033223 /nfs/dbraw/zinc/03/32/23/606033223.db2.gz QUXFOPGTADROLX-NSHDSACASA-N -1 1 339.403 3.570 20 30 EHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(F)c(Cl)c1 ZINC000822923840 606391849 /nfs/dbraw/zinc/39/18/49/606391849.db2.gz VWDIZPGSVIDYIY-GORDUTHDSA-N -1 1 334.763 3.617 20 30 EHEDMM CCCCCCCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821055547 606530573 /nfs/dbraw/zinc/53/05/73/606530573.db2.gz CCRWRIYMUHBOIU-UHFFFAOYSA-N -1 1 335.477 3.751 20 30 EHEDMM CCCCCCCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821055547 606530574 /nfs/dbraw/zinc/53/05/74/606530574.db2.gz CCRWRIYMUHBOIU-UHFFFAOYSA-N -1 1 335.477 3.751 20 30 EHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCC[C@@H]2C(C)C)o1 ZINC000820196758 606988375 /nfs/dbraw/zinc/98/83/75/606988375.db2.gz CBLHQXLMHWVRME-LLVKDONJSA-N -1 1 331.424 3.592 20 30 EHEDMM C[C@@H](CN(Cc1ccccc1)Cc1ccc(C#N)cc1Cl)C(=O)[O-] ZINC001592604775 978546924 /nfs/dbraw/zinc/54/69/24/978546924.db2.gz NLGQAXAERJRLFT-AWEZNQCLSA-N -1 1 342.826 3.935 20 30 EHEDMM CC[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(F)ccc1OC ZINC001595276394 980300369 /nfs/dbraw/zinc/30/03/69/980300369.db2.gz GBNMTZATMBEQLT-WMZOPIPTSA-N -1 1 342.370 3.573 20 30 EHEDMM CCCc1nc(C)cc(OCCCC2(C#N)CCOCC2)c1C(=O)[O-] ZINC001596089518 983412630 /nfs/dbraw/zinc/41/26/30/983412630.db2.gz ILZIEHJXVSCZEB-UHFFFAOYSA-N -1 1 346.427 3.520 20 30 EHEDMM C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccccc1OCC(=O)[O-] ZINC001593293323 994683920 /nfs/dbraw/zinc/68/39/20/994683920.db2.gz UPIGNPVNRCVNBX-LBPRGKRZSA-N -1 1 344.798 3.526 20 30 EHEDMM CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000189948532 1016793259 /nfs/dbraw/zinc/79/32/59/1016793259.db2.gz APUUXHWQMQXXJN-GOSISDBHSA-N -1 1 336.391 3.640 20 30 EHEDMM Cc1ccc([C@H]2CSCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614369947 1018865999 /nfs/dbraw/zinc/86/59/99/1018865999.db2.gz CQWRPYGNGIXJRC-GOSISDBHSA-N -1 1 338.432 3.503 20 30 EHEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000439247385 1021266258 /nfs/dbraw/zinc/26/62/58/1021266258.db2.gz OKIFQZOHEYXTKZ-UHFFFAOYSA-N -1 1 343.452 3.698 20 30 EHEDMM Cn1cc(/C=C\C(=O)c2cc(O)ccc2[O-])c(C2CCCCC2)n1 ZINC000588425630 1021536943 /nfs/dbraw/zinc/53/69/43/1021536943.db2.gz MECHVDILUKCTEL-CLFYSBASSA-N -1 1 326.396 3.775 20 30 EHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000439624150 1021607665 /nfs/dbraw/zinc/60/76/65/1021607665.db2.gz UTMOMQJORICISY-UHFFFAOYSA-N -1 1 343.452 3.914 20 30 EHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000439624100 1021608242 /nfs/dbraw/zinc/60/82/42/1021608242.db2.gz UNUCUMVNJKJGRI-UHFFFAOYSA-N -1 1 349.843 3.753 20 30 EHEDMM CS[C@@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C(C)(C)C ZINC000330805967 1022680369 /nfs/dbraw/zinc/68/03/69/1022680369.db2.gz HOOVGGWUEVDKCK-NSHDSACASA-N -1 1 339.505 3.870 20 30 EHEDMM CCOc1cc(C(=O)NCC2(C#N)CCCCC2)cc(Cl)c1[O-] ZINC000598303480 1033074172 /nfs/dbraw/zinc/07/41/72/1033074172.db2.gz CXWBEYKRSHYMQW-UHFFFAOYSA-N -1 1 336.819 3.648 20 30 EHEDMM COc1cc(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)cc(Cl)c1[O-] ZINC000331270513 1022771740 /nfs/dbraw/zinc/77/17/40/1022771740.db2.gz KVENMVLRXVUUDO-KGLIPLIRSA-N -1 1 341.835 3.953 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1C(F)(F)F ZINC000438750641 1022978841 /nfs/dbraw/zinc/97/88/41/1022978841.db2.gz ABDKLVIORIXSKI-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000476288032 1033111967 /nfs/dbraw/zinc/11/19/67/1033111967.db2.gz PDDHDOBQCIMNKG-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM COc1cc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)c(OC)cc1O ZINC000255439370 1024412268 /nfs/dbraw/zinc/41/22/68/1024412268.db2.gz YHYIVYKQHNFQAA-HYXAFXHYSA-N -1 1 334.755 3.665 20 30 EHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000435152088 1024649540 /nfs/dbraw/zinc/64/95/40/1024649540.db2.gz QJTXGTMFVDPYQW-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427767753 1024781895 /nfs/dbraw/zinc/78/18/95/1024781895.db2.gz ZYDDKZWTMGHFLY-UHFFFAOYSA-N -1 1 346.427 3.931 20 30 EHEDMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000436193935 1025467339 /nfs/dbraw/zinc/46/73/39/1025467339.db2.gz ZSEJOBRNKMHHHO-UHFFFAOYSA-N -1 1 345.811 3.802 20 30 EHEDMM CCCC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(OC)cc1 ZINC000442962261 1025623927 /nfs/dbraw/zinc/62/39/27/1025623927.db2.gz DNMKQSTTZRIHDA-SFHVURJKSA-N -1 1 338.407 3.934 20 30 EHEDMM C=C(C)Cn1c(CC)n[n-]c1=N[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000521852882 1025722842 /nfs/dbraw/zinc/72/28/42/1025722842.db2.gz VYHNPTWKCQCPMJ-GUYCJALGSA-N -1 1 348.878 3.680 20 30 EHEDMM N#C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000436552397 1025857612 /nfs/dbraw/zinc/85/76/12/1025857612.db2.gz CDQFLSNFTVTROX-CYBMUJFWSA-N -1 1 338.260 3.545 20 30 EHEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c(F)ccc([O-])c1F ZINC000342494383 1025877726 /nfs/dbraw/zinc/87/77/26/1025877726.db2.gz RGTIVQCULWODMH-UHFFFAOYSA-N -1 1 349.381 3.666 20 30 EHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000443420924 1026018421 /nfs/dbraw/zinc/01/84/21/1026018421.db2.gz WNBMEUCOZGRTGN-UHFFFAOYSA-N -1 1 329.421 3.809 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc3c2CC(=O)CC3)n1 ZINC000582757097 1027599521 /nfs/dbraw/zinc/59/95/21/1027599521.db2.gz WMWQISOGKVMTIG-MRXNPFEDSA-N -1 1 338.432 3.814 20 30 EHEDMM O=C(Nc1nc(-c2ccco2)n[nH]1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000073974188 1028590543 /nfs/dbraw/zinc/59/05/43/1028590543.db2.gz ZTCKMGLOFKXNHS-SNVBAGLBSA-N -1 1 344.758 3.557 20 30 EHEDMM COCc1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000114619261 1029547461 /nfs/dbraw/zinc/54/74/61/1029547461.db2.gz BAHIVKDJCVZSRL-MRXNPFEDSA-N -1 1 349.415 3.842 20 30 EHEDMM COCc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114619312 1029547927 /nfs/dbraw/zinc/54/79/27/1029547927.db2.gz SKVFRNPFPWQGGT-INIZCTEOSA-N -1 1 349.415 3.842 20 30 EHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)c(Cl)c2)n1 ZINC000348522771 1030345649 /nfs/dbraw/zinc/34/56/49/1030345649.db2.gz ZMWCFRVVPNRVPX-LLVKDONJSA-N -1 1 348.811 3.772 20 30 EHEDMM N#Cc1cccc(-c2cc(C(=O)[N-]c3ccc(F)c(F)c3F)on2)c1 ZINC000448099520 1030745860 /nfs/dbraw/zinc/74/58/60/1030745860.db2.gz SFBYFGCADHCPGO-UHFFFAOYSA-N -1 1 343.264 3.883 20 30 EHEDMM CCCC(=O)Nc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000589170887 1036270262 /nfs/dbraw/zinc/27/02/62/1036270262.db2.gz JATAHRZIDYSDJZ-UHFFFAOYSA-N -1 1 337.379 3.563 20 30 EHEDMM CCSc1ccc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589177690 1036275502 /nfs/dbraw/zinc/27/55/02/1036275502.db2.gz JYMAIPZCSCCRBZ-LBPRGKRZSA-N -1 1 326.421 3.867 20 30 EHEDMM CCCc1c(NC(=O)c2cc([O-])cc(C#N)c2)cnn1-c1ccccc1 ZINC000589199586 1036305826 /nfs/dbraw/zinc/30/58/26/1036305826.db2.gz AAZJUIICUASIRF-UHFFFAOYSA-N -1 1 346.390 3.654 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000589198194 1036306895 /nfs/dbraw/zinc/30/68/95/1036306895.db2.gz QGYJBGISGSAQMN-GOSISDBHSA-N -1 1 336.366 3.769 20 30 EHEDMM N#CC(=C([O-])c1ccn(-c2ccccc2)n1)c1ccc2ccccc2n1 ZINC000613292305 1036419496 /nfs/dbraw/zinc/41/94/96/1036419496.db2.gz GRNSJPBMTLHIAP-KRWDZBQOSA-N -1 1 338.370 3.911 20 30 EHEDMM CC(C)(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC000442855608 1036642819 /nfs/dbraw/zinc/64/28/19/1036642819.db2.gz NEKVOJORCLRSPY-KRWDZBQOSA-N -1 1 326.371 3.920 20 30 EHEDMM N#Cc1ccc(C(=O)NCC2(c3cccs3)CCCCC2)cc1[O-] ZINC000442978011 1036790011 /nfs/dbraw/zinc/79/00/11/1036790011.db2.gz WLPHDBOAKQCEPF-UHFFFAOYSA-N -1 1 340.448 3.957 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000590882802 1037112629 /nfs/dbraw/zinc/11/26/29/1037112629.db2.gz YGVPZNYSEGWTPI-SFHVURJKSA-N -1 1 346.390 3.508 20 30 EHEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000443341062 1037962282 /nfs/dbraw/zinc/96/22/82/1037962282.db2.gz KXWHFFISGSEQPF-UHFFFAOYSA-N -1 1 328.799 3.625 20 30 EHEDMM Cc1nc(C#N)c(-n2[n-]c(-c3cccc(Cl)c3)c(C(C)C)c2=O)o1 ZINC000899348941 1040368070 /nfs/dbraw/zinc/36/80/70/1040368070.db2.gz PYCKNSHHLNWNAD-CQSZACIVSA-N -1 1 342.786 3.531 20 30 EHEDMM C=CCCOCCCCC(=O)Nc1cccc([O-])c1Br ZINC000908708999 1040603966 /nfs/dbraw/zinc/60/39/66/1040603966.db2.gz FNFKFCUJISFGOJ-UHFFFAOYSA-N -1 1 342.233 3.856 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c1 ZINC000586827837 1041046280 /nfs/dbraw/zinc/04/62/80/1041046280.db2.gz KZLGUZXIPQEANI-UHFFFAOYSA-N -1 1 342.345 3.562 20 30 EHEDMM CC(C)c1ccc2c(c1)C(=N[N-]c1ncnc3ccsc31)C(=O)N2 ZINC000764839911 1127541233 /nfs/dbraw/zinc/54/12/33/1127541233.db2.gz BVJNZSLHGHNETO-UHFFFAOYSA-N -1 1 337.408 3.583 20 30 EHEDMM CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)c1cc(F)cc(C#N)c1 ZINC000552114303 1127603283 /nfs/dbraw/zinc/60/32/83/1127603283.db2.gz DXVDJFYGJOIGFL-UHFFFAOYSA-N -1 1 332.762 3.973 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1F ZINC000308120639 1128848164 /nfs/dbraw/zinc/84/81/64/1128848164.db2.gz PKXHZSSNWHOELH-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1[O-] ZINC000190988412 1120314116 /nfs/dbraw/zinc/31/41/16/1120314116.db2.gz VPNPGEGBPOUOOZ-INIZCTEOSA-N -1 1 340.810 3.765 20 30 EHEDMM C=CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)c1ccncc1 ZINC000762603346 1121380466 /nfs/dbraw/zinc/38/04/66/1121380466.db2.gz BKTQBLPFXPTFJT-OAHLLOKOSA-N -1 1 346.814 3.887 20 30 EHEDMM C#CC[C@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)c1ccccc1 ZINC000762626452 1121387400 /nfs/dbraw/zinc/38/74/00/1121387400.db2.gz UKRFCVNCORWQFK-INIZCTEOSA-N -1 1 343.810 3.939 20 30 EHEDMM O=[N+]([O-])c1ccccc1NN=Cc1cccc(Br)c1[O-] ZINC000915933586 1121993081 /nfs/dbraw/zinc/99/30/81/1121993081.db2.gz CPRYZSRJKIHMCF-UHFFFAOYSA-N -1 1 336.145 3.509 20 30 EHEDMM O=[N+]([O-])c1ccccc1N=NCc1cccc(Br)c1[O-] ZINC000915933586 1121993085 /nfs/dbraw/zinc/99/30/85/1121993085.db2.gz CPRYZSRJKIHMCF-UHFFFAOYSA-N -1 1 336.145 3.509 20 30 EHEDMM Cc1cc(O)cc2c1C(=O)/C(=C\c1ccc([O-])c(Br)c1)O2 ZINC000915988676 1122012281 /nfs/dbraw/zinc/01/22/81/1122012281.db2.gz ATVWBYXZDCQQPE-MKMNVTDBSA-N -1 1 347.164 3.785 20 30 EHEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000916241445 1122099483 /nfs/dbraw/zinc/09/94/83/1122099483.db2.gz CCRAOISXDXTBKB-UHFFFAOYSA-N -1 1 330.391 3.898 20 30 EHEDMM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000916883487 1122378990 /nfs/dbraw/zinc/37/89/90/1122378990.db2.gz RVCOKTGXUKAFDJ-LBPRGKRZSA-N -1 1 346.795 3.565 20 30 EHEDMM COc1cc(Cl)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000498971592 1123137597 /nfs/dbraw/zinc/13/75/97/1123137597.db2.gz AZWDGFORBSBQFL-AWEZNQCLSA-N -1 1 337.766 3.782 20 30 EHEDMM S=c1[n-]nc(SCc2ccccc2)n1N=CC=Cc1ccco1 ZINC000920368513 1123360869 /nfs/dbraw/zinc/36/08/69/1123360869.db2.gz MXFBAWURGKBNHS-LMGJMYKPSA-N -1 1 342.449 3.999 20 30 EHEDMM Cc1c(C(=O)/C=C/c2ccc([O-])c(Cl)c2)nnn1-c1ccccc1 ZINC000921268668 1123503706 /nfs/dbraw/zinc/50/37/06/1123503706.db2.gz DBACQKKCHSROBO-CSKARUKUSA-N -1 1 339.782 3.831 20 30 EHEDMM CCc1c(NC(=O)c2cc([O-])cc(C#N)c2)cnn1C(CC)CC ZINC000616699754 1124026295 /nfs/dbraw/zinc/02/62/95/1124026295.db2.gz GJOWCPPLWXSZGG-UHFFFAOYSA-N -1 1 326.400 3.636 20 30 EHEDMM CCCC=CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000735203905 1131316527 /nfs/dbraw/zinc/31/65/27/1131316527.db2.gz MAQYWTQKLKWQHN-LDJOOVGUSA-N -1 1 341.436 3.808 20 30 EHEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000619582573 1125367910 /nfs/dbraw/zinc/36/79/10/1125367910.db2.gz KNHIGGVIWPAUQD-BONVTDFDSA-N -1 1 326.318 3.613 20 30 EHEDMM C=CCCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000735523782 1131354627 /nfs/dbraw/zinc/35/46/27/1131354627.db2.gz QWFWMTBFRBIQGY-UHFFFAOYSA-N -1 1 345.420 3.610 20 30 EHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000114673783 1129179593 /nfs/dbraw/zinc/17/95/93/1129179593.db2.gz VQPJWJSDVAHTBR-UHFFFAOYSA-N -1 1 344.436 3.593 20 30 EHEDMM CCOc1ccc([N+](=O)[O-])cc1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000187221641 1131157776 /nfs/dbraw/zinc/15/77/76/1131157776.db2.gz MBFPPJWQHXAXAH-MDWZMJQESA-N -1 1 325.320 3.522 20 30 EHEDMM N#Cc1ccc(SCc2cc(=O)oc3cc([O-])ccc23)c(F)c1 ZINC000741862222 1131658438 /nfs/dbraw/zinc/65/84/38/1131658438.db2.gz XEUHQFQBTVMRQJ-UHFFFAOYSA-N -1 1 327.336 3.802 20 30 EHEDMM [O-]c1ccc(C=NNc2cccc(F)c2F)cc1Br ZINC000743443377 1131920719 /nfs/dbraw/zinc/92/07/19/1131920719.db2.gz XFHUJPUVGUJCHR-UHFFFAOYSA-N -1 1 327.128 3.879 20 30 EHEDMM C#Cc1cccc(Nc2cc(C(=O)OC)cc(Br)c2[O-])c1 ZINC001175977559 1132805386 /nfs/dbraw/zinc/80/53/86/1132805386.db2.gz SFRKXEHYDPUJHD-UHFFFAOYSA-N -1 1 346.180 3.666 20 30 EHEDMM COc1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc([O-])c(Cl)c1 ZINC000768767467 1133175102 /nfs/dbraw/zinc/17/51/02/1133175102.db2.gz HACZSTXMROUYBI-UHFFFAOYSA-N -1 1 335.747 3.799 20 30 EHEDMM CC(N=Nc1nc(-c2ccccc2)no1)c1ccc([O-])c(Cl)c1 ZINC000768770019 1133177056 /nfs/dbraw/zinc/17/70/56/1133177056.db2.gz ZMFIUQCOZWVXKW-UHFFFAOYSA-N -1 1 328.759 3.932 20 30 EHEDMM CC(C)(C)n1ncc2c1[n-]c(NN=C1CCCCC1(C)C)nc2=O ZINC000769811949 1133350487 /nfs/dbraw/zinc/35/04/87/1133350487.db2.gz GMXXBWGTDBFUMP-UHFFFAOYSA-N -1 1 330.436 3.655 20 30 EHEDMM N=C(c1ccccc1N)N([O-])C(=O)C1(c2cccc(Cl)c2)CCC1 ZINC001182249388 1133602060 /nfs/dbraw/zinc/60/20/60/1133602060.db2.gz NSHLVEOXTBNBHQ-UHFFFAOYSA-N -1 1 343.814 3.587 20 30 EHEDMM N#CCc1cccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189385241 1134577684 /nfs/dbraw/zinc/57/76/84/1134577684.db2.gz ITWHJKHOZWDKLJ-UHFFFAOYSA-N -1 1 340.379 3.846 20 30 EHEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1F ZINC001189389479 1134579172 /nfs/dbraw/zinc/57/91/72/1134579172.db2.gz PXMVPLIVONWGHW-UHFFFAOYSA-N -1 1 343.354 3.900 20 30 EHEDMM N#Cc1c([O-])csc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001190710308 1134736507 /nfs/dbraw/zinc/73/65/07/1134736507.db2.gz DGYAISNNIBAZDR-UHFFFAOYSA-N -1 1 343.286 3.868 20 30 EHEDMM CC(C)(C#N)c1cccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001190919787 1134769835 /nfs/dbraw/zinc/76/98/35/1134769835.db2.gz IHRLSQTXGPHNOQ-UHFFFAOYSA-N -1 1 346.390 3.631 20 30 EHEDMM Cc1c(F)ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1F ZINC001190972578 1134773240 /nfs/dbraw/zinc/77/32/40/1134773240.db2.gz DTRLDXNHTDHSKZ-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM CCOC(=O)NC(=S)[N-]c1ccccc1-c1ccc(C#N)cc1 ZINC001195493116 1135433123 /nfs/dbraw/zinc/43/31/23/1135433123.db2.gz VUKIQDOLVVWXSA-UHFFFAOYSA-N -1 1 325.393 3.668 20 30 EHEDMM N#Cc1c([O-])csc1NC(=S)Nc1c(F)c(F)cc(F)c1F ZINC001197372487 1135686203 /nfs/dbraw/zinc/68/62/03/1135686203.db2.gz DQXCFPQYZXMYFY-UHFFFAOYSA-N -1 1 347.318 3.691 20 30 EHEDMM [O-]c1cccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)c1Cl ZINC000814785037 1136508152 /nfs/dbraw/zinc/50/81/52/1136508152.db2.gz XIUTVKNKNNVKAC-UHFFFAOYSA-N -1 1 348.790 3.614 20 30 EHEDMM Cc1cccc(F)c1N=NC(C)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814904832 1136522587 /nfs/dbraw/zinc/52/25/87/1136522587.db2.gz AUARRTAVBLQFLZ-CYBMUJFWSA-N -1 1 330.359 3.822 20 30 EHEDMM CCc1nocc1C([O-])=C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000860473312 1137061991 /nfs/dbraw/zinc/06/19/91/1137061991.db2.gz WHIKMTFQOVUFFY-WFASDCNBSA-N -1 1 339.395 3.712 20 30 EHEDMM C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1cccc(C#N)c1[O-] ZINC000866334240 1137346657 /nfs/dbraw/zinc/34/66/57/1137346657.db2.gz VJMOIZBBIDRWNZ-GJZGRUSLSA-N -1 1 337.423 3.662 20 30 EHEDMM C=C[C@H](C)O[N-]C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000846555505 1137355478 /nfs/dbraw/zinc/35/54/78/1137355478.db2.gz RYRAYHQCBGSXIA-NSHDSACASA-N -1 1 329.318 3.530 20 30 EHEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000826018871 1137701254 /nfs/dbraw/zinc/70/12/54/1137701254.db2.gz PXKHPSATQDTFTJ-GASCZTMLSA-N -1 1 337.375 3.788 20 30 EHEDMM CCCCCCCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736447833 598719456 /nfs/dbraw/zinc/71/94/56/598719456.db2.gz IOHZPWPVWJQKKI-UHFFFAOYSA-N -1 1 325.416 3.542 20 30 EHEDMM N#CC(C(=O)c1ccc(C(=O)[O-])cc1)c1nc2cc(F)ccc2s1 ZINC000739075003 600127352 /nfs/dbraw/zinc/12/73/52/600127352.db2.gz PJUJRXCFZUSFCF-GFCCVEGCSA-N -1 1 340.335 3.624 20 30 EHEDMM O=C([O-])CCC1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000833224466 601841461 /nfs/dbraw/zinc/84/14/61/601841461.db2.gz NTRQECKTYGNOTQ-UHFFFAOYSA-N -1 1 339.357 3.634 20 30 EHEDMM Cc1ccc(-c2nc(C=NNc3ccc(C(=O)[O-])cn3)cs2)cc1 ZINC000763369816 604666625 /nfs/dbraw/zinc/66/66/25/604666625.db2.gz KIRVSIZRAJXRJP-UHFFFAOYSA-N -1 1 338.392 3.658 20 30 EHEDMM O=C([O-])c1ccccc1N=NCc1ccccc1OCc1cccnc1 ZINC000833783720 605099829 /nfs/dbraw/zinc/09/98/29/605099829.db2.gz GHFPDHGXCIWVQO-UHFFFAOYSA-N -1 1 347.374 3.805 20 30 EHEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000833386378 605155320 /nfs/dbraw/zinc/15/53/20/605155320.db2.gz ALYIABCSOKBZPC-UHFFFAOYSA-N -1 1 346.770 3.646 20 30 EHEDMM CCC[C@@H](C)C(CC)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000821014546 606237682 /nfs/dbraw/zinc/23/76/82/606237682.db2.gz IRYURFGVMZHTAM-SNVBAGLBSA-N -1 1 333.440 3.766 20 30 EHEDMM CC(C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000824324990 608092369 /nfs/dbraw/zinc/09/23/69/608092369.db2.gz XSXKVWSIFNUHMR-VMPITWQZSA-N -1 1 340.408 3.612 20 30 EHEDMM CC(C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000824324990 608092370 /nfs/dbraw/zinc/09/23/70/608092370.db2.gz XSXKVWSIFNUHMR-VMPITWQZSA-N -1 1 340.408 3.612 20 30 EHEDMM O=C(C=Cc1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400773 608092875 /nfs/dbraw/zinc/09/28/75/608092875.db2.gz HYEQQKQRXJEHMF-SNAWJCMRSA-N -1 1 334.763 3.617 20 30 EHEDMM O=C(C=Cc1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400773 608092876 /nfs/dbraw/zinc/09/28/76/608092876.db2.gz HYEQQKQRXJEHMF-SNAWJCMRSA-N -1 1 334.763 3.617 20 30 EHEDMM CC(C)(C#N)c1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC000593947195 974988577 /nfs/dbraw/zinc/98/85/77/974988577.db2.gz HELFGOKDOFJHEG-UHFFFAOYSA-N -1 1 349.434 3.748 20 30 EHEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1nc2ccccc2s1 ZINC000756901449 978701580 /nfs/dbraw/zinc/70/15/80/978701580.db2.gz QFRDNWDTLOPBDR-UHFFFAOYSA-N -1 1 341.392 3.839 20 30 EHEDMM C=CCN(Cc1ccccc1)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001588832599 984324447 /nfs/dbraw/zinc/32/44/47/984324447.db2.gz KQJXRGBQOSAJFD-INIZCTEOSA-N -1 1 325.408 3.727 20 30 EHEDMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(Cl)ccc1F ZINC001599841041 988830983 /nfs/dbraw/zinc/83/09/83/988830983.db2.gz HPSGGSVJZCCWDP-HWPZZCPQSA-N -1 1 332.762 3.827 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1Cl ZINC000336861157 1015839179 /nfs/dbraw/zinc/83/91/79/1015839179.db2.gz XVPLYVDLSLJXPM-UHFFFAOYSA-N -1 1 332.812 3.501 20 30 EHEDMM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189197320 1016488643 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1122537582 /nfs/dbraw/zinc/53/75/82/1122537582.db2.gz AZFBAVYZVKNZMS-IUXPMGMMSA-N -1 1 330.343 3.774 20 30 EHEDMM COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000615476299 1123804318 /nfs/dbraw/zinc/80/43/18/1123804318.db2.gz WGWPDUAYTTUKSN-QGZVFWFLSA-N -1 1 336.391 3.640 20 30 EHEDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000078967834 1129216126 /nfs/dbraw/zinc/21/61/26/1129216126.db2.gz IFXFCKHNQJYTOS-UHFFFAOYSA-N -1 1 334.828 3.938 20 30 EHEDMM CC(N=Nc1nc2ccccn2n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766034652 1129865323 /nfs/dbraw/zinc/86/53/23/1129865323.db2.gz SGMYUOMEZKEGFG-UHFFFAOYSA-N -1 1 336.182 3.578 20 30 EHEDMM Cc1csc([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)c1C#N ZINC001128851023 1130207656 /nfs/dbraw/zinc/20/76/56/1130207656.db2.gz XXIDJWSWSLZHIA-UHFFFAOYSA-N -1 1 327.340 3.975 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cc(Cl)c3c(c1)OCCO3)O2 ZINC000730434788 1130712095 /nfs/dbraw/zinc/71/20/95/1130712095.db2.gz STHKDYDDXZEQAP-NSIKDUERSA-N -1 1 344.750 3.741 20 30 EHEDMM C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768266180 1133118937 /nfs/dbraw/zinc/11/89/37/1133118937.db2.gz NFMUPOPSXHJMOF-INIZCTEOSA-N -1 1 332.762 3.937 20 30 EHEDMM COc1ccc(N=NC(C)c2ccc([O-])c(Cl)c2)c([N+](=O)[O-])c1 ZINC000768783366 1133181905 /nfs/dbraw/zinc/18/19/05/1133181905.db2.gz DMUUAYNAXDHTCI-UHFFFAOYSA-N -1 1 335.747 3.799 20 30 EHEDMM N#Cc1ccccc1/C=C\C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000785660460 1133739452 /nfs/dbraw/zinc/73/94/52/1133739452.db2.gz ABJRKDRWPMQGJZ-YVMONPNESA-N -1 1 348.280 3.814 20 30 EHEDMM N#Cc1ccc2c(c1)CC[C@@H]2[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000786382121 1133842306 /nfs/dbraw/zinc/84/23/06/1133842306.db2.gz PYALBEISQHXGMV-HNNXBMFYSA-N -1 1 348.299 3.732 20 30 EHEDMM COc1ccc2nc(/C=C\C(=O)c3cc(O)ccc3[O-])sc2c1 ZINC000788731658 1134167203 /nfs/dbraw/zinc/16/72/03/1134167203.db2.gz MNDOMJSPIISTQX-SREVYHEPSA-N -1 1 327.361 3.612 20 30 EHEDMM N#Cc1cc(NC(=O)NCc2ccc(Cl)cc2Cl)ccc1[O-] ZINC001190098327 1134655426 /nfs/dbraw/zinc/65/54/26/1134655426.db2.gz JNDZSLJCBBDISG-UHFFFAOYSA-N -1 1 336.178 3.892 20 30 EHEDMM CCCCc1ccc(S(=O)(=O)[N-]c2ncc(C#N)cc2Cl)cc1 ZINC001191225182 1134830466 /nfs/dbraw/zinc/83/04/66/1134830466.db2.gz RCVBJUZETDHOAJ-UHFFFAOYSA-N -1 1 349.843 3.750 20 30 EHEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cccc(-c2nc3ccccc3s2)c1 ZINC001193146913 1135109451 /nfs/dbraw/zinc/10/94/51/1135109451.db2.gz UAJQIECYLMRTHH-LLVKDONJSA-N -1 1 343.433 3.617 20 30 EHEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc(-c2ccccc2)ns1 ZINC000747206501 1135163700 /nfs/dbraw/zinc/16/37/00/1135163700.db2.gz ZDMFYYHPJYXQEG-HNNXBMFYSA-N -1 1 347.399 3.771 20 30 EHEDMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC001197586016 1135710938 /nfs/dbraw/zinc/71/09/38/1135710938.db2.gz RTSYDDQNEVWMTH-UHFFFAOYSA-N -1 1 341.314 3.676 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000809680298 1135871580 /nfs/dbraw/zinc/87/15/80/1135871580.db2.gz MNQDZHJYVPTJOU-QGZVFWFLSA-N -1 1 328.318 3.519 20 30 EHEDMM N#Cc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2Cl)c([O-])c1 ZINC001199334500 1135899334 /nfs/dbraw/zinc/89/93/34/1135899334.db2.gz MTAUSTXESBANTQ-UHFFFAOYSA-N -1 1 342.569 3.871 20 30 EHEDMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)ccc2s1 ZINC001201287923 1136000976 /nfs/dbraw/zinc/00/09/76/1136000976.db2.gz OOZCMMTXNMKSTN-UHFFFAOYSA-N -1 1 343.433 3.586 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3cncc(C)c32)cc1C#N ZINC001201319458 1136006621 /nfs/dbraw/zinc/00/66/21/1136006621.db2.gz AMTARIZJLYGHLF-UHFFFAOYSA-N -1 1 337.404 3.524 20 30 EHEDMM N#Cc1cccc([O-])c1NC(=O)Nc1ccccc1Br ZINC001201978584 1136076061 /nfs/dbraw/zinc/07/60/61/1136076061.db2.gz FNRXITCPLITWCO-UHFFFAOYSA-N -1 1 332.157 3.670 20 30 EHEDMM O=C([O-])c1cccc(C=NNc2nccnc2C2CCC2)c1Cl ZINC000814932364 1136526643 /nfs/dbraw/zinc/52/66/43/1136526643.db2.gz XIBCRYOBCUERDC-UHFFFAOYSA-N -1 1 330.775 3.542 20 30 EHEDMM CC(=O)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cs1 ZINC000815906939 1136646826 /nfs/dbraw/zinc/64/68/26/1136646826.db2.gz NKGRXOOWBPDUJC-CYBMUJFWSA-N -1 1 346.795 3.565 20 30 EHEDMM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001136667257 1137086059 /nfs/dbraw/zinc/08/60/59/1137086059.db2.gz WJOMDHJTFLTKAD-MRXNPFEDSA-N -1 1 326.371 3.823 20 30 EHEDMM O=C(/C=C\c1cscc1Br)c1cc(O)ccc1[O-] ZINC000794703532 1137240217 /nfs/dbraw/zinc/24/02/17/1137240217.db2.gz VKJXRHYWHNQDJI-IWQZZHSRSA-N -1 1 325.183 3.818 20 30 EHEDMM Cc1c(N=NC2CCN(CCC(F)(F)F)CC2)cccc1C(=O)[O-] ZINC000844623941 1137240622 /nfs/dbraw/zinc/24/06/22/1137240622.db2.gz NZYCSODVUIPDEI-UHFFFAOYSA-N -1 1 343.349 3.509 20 30 EHEDMM Cc1ccc(N[C@@H](C)c2cccc(C#N)c2[O-])cc1N1CCOC1=O ZINC000866323993 1137345733 /nfs/dbraw/zinc/34/57/33/1137345733.db2.gz DJMFGHPNDJKSKK-ZDUSSCGKSA-N -1 1 337.379 3.702 20 30 EHEDMM COC(=O)c1ccc(Cl)c(/C=C2\Cc3cc([O-])ccc3C2=O)c1 ZINC000794944692 1137372709 /nfs/dbraw/zinc/37/27/09/1137372709.db2.gz HUYKGTPROUTWKX-MDWZMJQESA-N -1 1 328.751 3.655 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccnn2-c2ccc(F)cc2)c1 ZINC000794941286 1137373314 /nfs/dbraw/zinc/37/33/14/1137373314.db2.gz NDGCGBULSYVIKQ-SOFGYWHQSA-N -1 1 338.338 3.622 20 30 EHEDMM N#Cc1ccc(C2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000887705889 1138698899 /nfs/dbraw/zinc/69/88/99/1138698899.db2.gz BUOPPDOWHCDBJW-UHFFFAOYSA-N -1 1 340.810 3.937 20 30 EHEDMM COC(=O)c1coc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)c1 ZINC000185256170 1140141985 /nfs/dbraw/zinc/14/19/85/1140141985.db2.gz CUWICZPTRSMTSA-UHFFFAOYSA-N -1 1 332.381 3.549 20 30 EHEDMM C[C@H](C(=O)[O-])n1cccc1C=NNc1c(Cl)cccc1Cl ZINC000833406005 605040865 /nfs/dbraw/zinc/04/08/65/605040865.db2.gz JSHNFOMKLASZNM-SECBINFHSA-N -1 1 326.183 3.887 20 30 EHEDMM O=C([O-])c1ccccc1N=NCc1cccn1Cc1cccs1 ZINC000755602693 605099499 /nfs/dbraw/zinc/09/94/99/605099499.db2.gz ZBYUIVBRJUGYSM-UHFFFAOYSA-N -1 1 325.393 3.742 20 30 EHEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(OCC#N)cc1 ZINC000833386406 605155702 /nfs/dbraw/zinc/15/57/02/605155702.db2.gz BIOLOVYINNBGBR-UHFFFAOYSA-N -1 1 343.770 3.777 20 30 EHEDMM CSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821979878 606392104 /nfs/dbraw/zinc/39/21/04/606392104.db2.gz ZUSPFJLITSWHJI-HYXAFXHYSA-N -1 1 346.412 3.685 20 30 EHEDMM CCCn1ccc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc21 ZINC000460825758 1032065241 /nfs/dbraw/zinc/06/52/41/1032065241.db2.gz WSIKROBHCSNTJQ-UHFFFAOYSA-N -1 1 339.420 3.724 20 30 EHEDMM Cn1cc(/C=C/C(=O)c2ccc([O-])cc2)c(-c2ccc(C#N)cc2)n1 ZINC000182269561 1032083838 /nfs/dbraw/zinc/08/38/38/1032083838.db2.gz XZFKZTHZGUQIRM-DHZHZOJOSA-N -1 1 329.359 3.560 20 30 EHEDMM CCOc1nc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)co1 ZINC001125266944 1014181483 /nfs/dbraw/zinc/18/14/83/1014181483.db2.gz VLAJFKAEDAJYRI-UHFFFAOYSA-N -1 1 345.424 3.918 20 30 EHEDMM CC[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cc(F)ccc1OC ZINC001595276589 980301033 /nfs/dbraw/zinc/30/10/33/980301033.db2.gz ISZKXKSCVQRTHG-WMZOPIPTSA-N -1 1 342.370 3.573 20 30 EHEDMM C=CCN(Cc1ccccc1)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001588832601 984324211 /nfs/dbraw/zinc/32/42/11/984324211.db2.gz KQJXRGBQOSAJFD-MRXNPFEDSA-N -1 1 325.408 3.727 20 30 EHEDMM C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccccc1OCC(=O)[O-] ZINC001593293322 994683678 /nfs/dbraw/zinc/68/36/78/994683678.db2.gz UPIGNPVNRCVNBX-GFCCVEGCSA-N -1 1 344.798 3.526 20 30 EHEDMM C[C@H]1CCc2nc(CN=Nc3cccc(F)c3C(=O)[O-])sc2C1 ZINC001594451051 999649485 /nfs/dbraw/zinc/64/94/85/999649485.db2.gz TVMXZINBCLPBIP-VIFPVBQESA-N -1 1 333.388 3.551 20 30 EHEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614357562 1018846243 /nfs/dbraw/zinc/84/62/43/1018846243.db2.gz BALYAGJJSKGUFT-UHFFFAOYSA-N -1 1 332.812 3.807 20 30 EHEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc(-c2ccccc2)cs1 ZINC000614367105 1018870094 /nfs/dbraw/zinc/87/00/94/1018870094.db2.gz ZWOASUDMBFOCJY-GFCCVEGCSA-N -1 1 349.415 3.878 20 30 EHEDMM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1Cl ZINC000614369238 1018878754 /nfs/dbraw/zinc/87/87/54/1018878754.db2.gz UBZOFSONPJDXBK-UHFFFAOYSA-N -1 1 346.789 3.764 20 30 EHEDMM CN(c1ccccc1NC(=O)c1cc([O-])cc(C#N)c1)C1CCCC1 ZINC000614371851 1018884897 /nfs/dbraw/zinc/88/48/97/1018884897.db2.gz NYUXUYQPWZPOSS-UHFFFAOYSA-N -1 1 335.407 3.895 20 30 EHEDMM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4cccc(C)c4[nH]3)n[nH]2)o1 ZINC000345378304 1020213222 /nfs/dbraw/zinc/21/32/22/1020213222.db2.gz PSCTVUSRDXNQSO-LBPRGKRZSA-N -1 1 345.362 3.653 20 30 EHEDMM CCC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1 ZINC000340852365 1020448133 /nfs/dbraw/zinc/44/81/33/1020448133.db2.gz PYNUVVIAQTVOJU-OAHLLOKOSA-N -1 1 331.375 3.656 20 30 EHEDMM Cc1nc(-c2ccc(NCC(C)(C)CCC#N)nc2)[n-]c(=O)c1C ZINC000340939123 1020656377 /nfs/dbraw/zinc/65/63/77/1020656377.db2.gz MSMDMXOKGVWRRB-UHFFFAOYSA-N -1 1 325.416 3.603 20 30 EHEDMM N#C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccccc1F ZINC000436818654 1021246266 /nfs/dbraw/zinc/24/62/66/1021246266.db2.gz LJJZPMCJDSYWKK-CYBMUJFWSA-N -1 1 338.260 3.545 20 30 EHEDMM CCCc1c(NC(=O)c2ccccc2[O-])cnn1-c1cccc(C#N)c1 ZINC000440068821 1021923607 /nfs/dbraw/zinc/92/36/07/1021923607.db2.gz INSACICQBMPDLY-UHFFFAOYSA-N -1 1 346.390 3.654 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1[O-] ZINC000188363105 1022116443 /nfs/dbraw/zinc/11/64/43/1022116443.db2.gz LHYUFKIQQUILBX-ZDUSSCGKSA-N -1 1 346.173 3.565 20 30 EHEDMM N#Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1Cl ZINC000548318225 1022249266 /nfs/dbraw/zinc/24/92/66/1022249266.db2.gz NGCDHHMBUJUGCH-UHFFFAOYSA-N -1 1 338.754 3.560 20 30 EHEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000439245404 1024049406 /nfs/dbraw/zinc/04/94/06/1024049406.db2.gz KAEVYMZKLIHGFH-UHFFFAOYSA-N -1 1 329.425 3.524 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)cc1[O-] ZINC000443065953 1025683342 /nfs/dbraw/zinc/68/33/42/1025683342.db2.gz CXMMXXWIHOOBEE-UHFFFAOYSA-N -1 1 347.201 3.769 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Br)c(F)c2)n1 ZINC000049416886 1027812063 /nfs/dbraw/zinc/81/20/63/1027812063.db2.gz KSCFAHHAYPMPMD-SECBINFHSA-N -1 1 339.189 3.843 20 30 EHEDMM Cc1c(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cnn1-c1ccccn1 ZINC000255554133 1027842442 /nfs/dbraw/zinc/84/24/42/1027842442.db2.gz FTUFKPRCFTYDLL-ALCCZGGFSA-N -1 1 339.782 3.831 20 30 EHEDMM C=CCCOCCCCC(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000444810964 1028282310 /nfs/dbraw/zinc/28/23/10/1028282310.db2.gz GRUSGBPAYJNXJX-UHFFFAOYSA-N -1 1 345.418 3.648 20 30 EHEDMM N#Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])cnc1C(F)(F)F ZINC000343305393 1030207268 /nfs/dbraw/zinc/20/72/68/1030207268.db2.gz XLISMYWLVBGBNI-UHFFFAOYSA-N -1 1 341.676 3.583 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)cc1[O-] ZINC000526946943 1030496589 /nfs/dbraw/zinc/49/65/89/1030496589.db2.gz TVANEJSJMSDTHW-GOSISDBHSA-N -1 1 338.382 3.640 20 30 EHEDMM O=C(/C=C\c1ccccc1OCc1ccccn1)c1cc(O)ccc1[O-] ZINC000255673072 1034111864 /nfs/dbraw/zinc/11/18/64/1034111864.db2.gz XSTXAMMLJYJRKO-NTMALXAHSA-N -1 1 347.370 3.968 20 30 EHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000188560759 1034950473 /nfs/dbraw/zinc/95/04/73/1034950473.db2.gz YTIIUJWMBNBNII-UHFFFAOYSA-N -1 1 336.363 3.779 20 30 EHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000475792717 1035977715 /nfs/dbraw/zinc/97/77/15/1035977715.db2.gz DASGFOOSPXFJSJ-UHFFFAOYSA-N -1 1 341.219 3.860 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1Cl ZINC000180177989 1036058712 /nfs/dbraw/zinc/05/87/12/1036058712.db2.gz KUKNZDJOQFVEHY-UHFFFAOYSA-N -1 1 343.795 3.561 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000589164803 1036267835 /nfs/dbraw/zinc/26/78/35/1036267835.db2.gz RIPPAZQAXJDGCK-UHFFFAOYSA-N -1 1 343.386 3.675 20 30 EHEDMM Cc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)c(OC(C)(C)C)c1 ZINC000589188907 1036297752 /nfs/dbraw/zinc/29/77/52/1036297752.db2.gz TWPKOIBAFHUISU-UHFFFAOYSA-N -1 1 338.407 3.680 20 30 EHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000590742003 1037041331 /nfs/dbraw/zinc/04/13/31/1037041331.db2.gz ARJROPGWWHDXQO-UHFFFAOYSA-N -1 1 341.436 3.668 20 30 EHEDMM C=CCCCCCN(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000172762734 1037639200 /nfs/dbraw/zinc/63/92/00/1037639200.db2.gz BSLMDHLVHOWQMA-UHFFFAOYSA-N -1 1 326.444 3.631 20 30 EHEDMM N#CCCCOc1cccnc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000110309306 1039983833 /nfs/dbraw/zinc/98/38/33/1039983833.db2.gz CGSORIHKFQISQY-UHFFFAOYSA-N -1 1 347.374 3.875 20 30 EHEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccnn1C1CCC1 ZINC000899396617 1040440360 /nfs/dbraw/zinc/44/03/60/1040440360.db2.gz FXBAMRFYBNBJDV-FNORWQNLSA-N -1 1 347.212 3.972 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2cc(C)n([C@@H]3CCCOC3)c2C)n1 ZINC000626283284 1040613330 /nfs/dbraw/zinc/61/33/30/1040613330.db2.gz OGFHIQWULJXUNB-ZBFHGGJFSA-N -1 1 343.452 3.711 20 30 EHEDMM C[C@@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000842305023 1040786617 /nfs/dbraw/zinc/78/66/17/1040786617.db2.gz XNEJRPRGEJQPBC-MWLCHTKSSA-N -1 1 348.399 3.589 20 30 EHEDMM C[C@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000842305018 1040786937 /nfs/dbraw/zinc/78/69/37/1040786937.db2.gz XNEJRPRGEJQPBC-GXSJLCMTSA-N -1 1 348.399 3.589 20 30 EHEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C(C)C)oc2C)cc1 ZINC000796796376 1041949778 /nfs/dbraw/zinc/94/97/78/1041949778.db2.gz CMZDYUAXDZEITF-HNNXBMFYSA-N -1 1 339.395 3.630 20 30 EHEDMM C=CCCC[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764803583 1127535264 /nfs/dbraw/zinc/53/52/64/1127535264.db2.gz ABUSXVOVEWECAS-NSHDSACASA-N -1 1 341.249 3.699 20 30 EHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1F ZINC000076839291 1128955178 /nfs/dbraw/zinc/95/51/78/1128955178.db2.gz QVOTXOLSUVPOCK-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000193704828 1121575031 /nfs/dbraw/zinc/57/50/31/1121575031.db2.gz YPFRSYKLEMXTNF-UHFFFAOYSA-N -1 1 348.811 3.605 20 30 EHEDMM Cn1cccc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000068348884 1123920854 /nfs/dbraw/zinc/92/08/54/1123920854.db2.gz VKRRIPHGSCGHDL-SNVBAGLBSA-N -1 1 343.358 3.917 20 30 EHEDMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619462254 1125350543 /nfs/dbraw/zinc/35/05/43/1125350543.db2.gz 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N#Cc1cccc(-c2cc([O-])cc(C(=O)NC3(C(F)(F)F)CC3)c2)c1 ZINC001196329476 1135547085 /nfs/dbraw/zinc/54/70/85/1135547085.db2.gz CMICBGNXUXPCDG-UHFFFAOYSA-N -1 1 346.308 3.756 20 30 EHEDMM CC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC001251301599 1135695295 /nfs/dbraw/zinc/69/52/95/1135695295.db2.gz OJMIZAJHFVMOOW-NSHDSACASA-N -1 1 341.647 3.617 20 30 EHEDMM CC1CCN(c2cccc(NC(=O)c3cc([O-])cc(C#N)c3)c2)CC1 ZINC000809689274 1135871758 /nfs/dbraw/zinc/87/17/58/1135871758.db2.gz MOFSITCHNZFVSA-UHFFFAOYSA-N -1 1 335.407 3.752 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)cc2)cc1C#N ZINC001201317611 1136006922 /nfs/dbraw/zinc/00/69/22/1136006922.db2.gz WVYHAGZVXBAZLT-UHFFFAOYSA-N -1 1 349.415 3.730 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccncc2)cc1C#N ZINC001201322658 1136007596 /nfs/dbraw/zinc/00/75/96/1136007596.db2.gz QJIAQQAAANRFPT-UHFFFAOYSA-N -1 1 349.415 3.730 20 30 EHEDMM [O-]/N=C/c1cc(NCc2cccc3ccnn32)cc(C(F)(F)F)c1 ZINC001170707104 1136335287 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O=C1c2cn(-c3ccccc3)nc2CC/C1=C\c1ccc([O-])c(F)c1 ZINC000794952258 1137376842 /nfs/dbraw/zinc/37/68/42/1137376842.db2.gz HUSVEZCHXSYBBM-GXDHUFHOSA-N -1 1 334.350 3.930 20 30 EHEDMM CC(N=Nc1ncccc1F)c1cc(Br)c(F)cc1[O-] ZINC000794981137 1137392799 /nfs/dbraw/zinc/39/27/99/1137392799.db2.gz VNBUPVJBBYYVLT-UHFFFAOYSA-N -1 1 342.143 3.664 20 30 EHEDMM O=C1Nc2ccc(-c3ccccc3)cc2C1=N[N-]c1ncccc1F ZINC000794990034 1137398053 /nfs/dbraw/zinc/39/80/53/1137398053.db2.gz LMUKLXWFVFTHQG-UHFFFAOYSA-N -1 1 332.338 3.656 20 30 EHEDMM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)CCC1CCCCC1 ZINC000872361675 1137578954 /nfs/dbraw/zinc/57/89/54/1137578954.db2.gz LVPZUESAQOOHJP-AWEZNQCLSA-N -1 1 336.457 3.690 20 30 EHEDMM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000872413585 1137579750 /nfs/dbraw/zinc/57/97/50/1137579750.db2.gz OSVZIVBIGMYHEZ-UHFFFAOYSA-N -1 1 342.420 3.554 20 30 EHEDMM C#CCOc1cc(F)ccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC001137093067 1137636900 /nfs/dbraw/zinc/63/69/00/1137636900.db2.gz PUSCCSUZPLJQHR-UHFFFAOYSA-N -1 1 335.334 3.949 20 30 EHEDMM O=C([O-])c1ccc2[nH]cc(C=NN=c3ccc4ccccc4[nH]3)c2c1 ZINC000740189129 600180531 /nfs/dbraw/zinc/18/05/31/600180531.db2.gz FUOOUZCGUXKONH-UHFFFAOYSA-N -1 1 330.347 3.860 20 30 EHEDMM CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736493389 600593237 /nfs/dbraw/zinc/59/32/37/600593237.db2.gz UDTYPQZRMRIKHB-AUUYWEPGSA-N -1 1 338.407 3.822 20 30 EHEDMM CCc1oc(C(=O)[O-])cc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000833678141 604492819 /nfs/dbraw/zinc/49/28/19/604492819.db2.gz JNFVIBXALSXMKK-UHFFFAOYSA-N -1 1 336.391 3.701 20 30 EHEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cc(Cl)ccc1O ZINC000756906040 978702043 /nfs/dbraw/zinc/70/20/43/978702043.db2.gz QUFXFHBTIPNPCN-UHFFFAOYSA-N -1 1 334.759 3.589 20 30 EHEDMM COc1ccc(CN=Nc2ccc(C(=O)[O-])cc2OC)c(Cl)c1 ZINC000756905797 978702077 /nfs/dbraw/zinc/70/20/77/978702077.db2.gz KTDHYHBYQHCSOU-UHFFFAOYSA-N -1 1 334.759 3.501 20 30 EHEDMM CC[C@H](c1cccc(OC)c1)N(C)Cc1cccc(C(=O)[O-])c1C#N 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3.578 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1[O-] ZINC000437402180 1021796980 /nfs/dbraw/zinc/79/69/80/1021796980.db2.gz BHORGPSOVDCJNJ-KOMQPUFPSA-N -1 1 326.783 3.593 20 30 EHEDMM COc1cc(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)cc(Cl)c1[O-] ZINC000331270514 1022772649 /nfs/dbraw/zinc/77/26/49/1022772649.db2.gz KVENMVLRXVUUDO-ZIAGYGMSSA-N -1 1 341.835 3.953 20 30 EHEDMM COc1cc(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)cc(Cl)c1[O-] ZINC000331275172 1022774760 /nfs/dbraw/zinc/77/47/60/1022774760.db2.gz NPOLRTYDNAZKKL-YPMHNXCESA-N -1 1 327.808 3.562 20 30 EHEDMM COc1cc(C(=O)NC[C@]2(O)CCCC(C)(C)C2)cc(Cl)c1[O-] ZINC000331263564 1022781802 /nfs/dbraw/zinc/78/18/02/1022781802.db2.gz FQRHMODQGTVWIV-KRWDZBQOSA-N -1 1 341.835 3.690 20 30 EHEDMM CCc1cncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000434621470 1024191975 /nfs/dbraw/zinc/19/19/75/1024191975.db2.gz TVAXESCUHQSXNA-CYBMUJFWSA-N -1 1 340.333 3.879 20 30 EHEDMM COc1ccc2occ(C([O-])=C(C#N)c3nc4ccccc4n3C)c2c1 ZINC000442022479 1025140800 /nfs/dbraw/zinc/14/08/00/1025140800.db2.gz BHTJLNZOUPVGDY-AWEZNQCLSA-N -1 1 345.358 3.818 20 30 EHEDMM N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527111 1033271219 /nfs/dbraw/zinc/27/12/19/1033271219.db2.gz KXPJJXSJZPPWSE-HNNXBMFYSA-N -1 1 344.361 3.585 20 30 EHEDMM CC(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1F ZINC000443042389 1025674064 /nfs/dbraw/zinc/67/40/64/1025674064.db2.gz CCBRDZLWNOQQRX-KRWDZBQOSA-N -1 1 330.334 3.669 20 30 EHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000443418483 1026013158 /nfs/dbraw/zinc/01/31/58/1026013158.db2.gz NVDWXKCNCGJRFO-UHFFFAOYSA-N -1 1 329.421 3.809 20 30 EHEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccccc1 ZINC000047359158 1027564529 /nfs/dbraw/zinc/56/45/29/1027564529.db2.gz ZVCVSEMANVJQNI-HNNXBMFYSA-N -1 1 341.374 3.547 20 30 EHEDMM C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000576162376 1029402527 /nfs/dbraw/zinc/40/25/27/1029402527.db2.gz FQYHMHADZHTFBH-FQEVSTJZSA-N -1 1 338.382 3.640 20 30 EHEDMM C=CCN(CC(F)(F)F)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271927415 1029801870 /nfs/dbraw/zinc/80/18/70/1029801870.db2.gz JTICGHXLBGLCJD-UHFFFAOYSA-N -1 1 327.224 3.602 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)cc1[O-] ZINC000188241939 1034082270 /nfs/dbraw/zinc/08/22/70/1034082270.db2.gz RDKWTLLZLVENEG-UHFFFAOYSA-N -1 1 345.402 3.765 20 30 EHEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C)s2)cc1 ZINC000171566958 1034471793 /nfs/dbraw/zinc/47/17/93/1034471793.db2.gz OQPWNSJWYNXKMD-IAQYHMDHSA-N -1 1 341.436 3.926 20 30 EHEDMM N#Cc1ccccc1/C=C/C(=O)Nc1cc(Br)ccc1[O-] ZINC000179654208 1034549404 /nfs/dbraw/zinc/54/94/04/1034549404.db2.gz MEPYHBDYKGMFMO-VMPITWQZSA-N -1 1 343.180 3.678 20 30 EHEDMM COc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])ccc1OC(F)F ZINC000156644125 1035569460 /nfs/dbraw/zinc/56/94/60/1035569460.db2.gz DCHXUGQHYGJYCF-GORDUTHDSA-N -1 1 336.290 3.604 20 30 EHEDMM CN(Cc1c(Cl)cccc1Cl)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589168035 1036270491 /nfs/dbraw/zinc/27/04/91/1036270491.db2.gz SRJSKECXNCKXDQ-UHFFFAOYSA-N -1 1 335.190 3.843 20 30 EHEDMM COc1ccccc1[C@H](CC(C)C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589188917 1036299815 /nfs/dbraw/zinc/29/98/15/1036299815.db2.gz OWSUBEINJNKSFJ-SFHVURJKSA-N -1 1 338.407 3.790 20 30 EHEDMM COc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)cc1OC ZINC000088804912 1037418301 /nfs/dbraw/zinc/41/83/01/1037418301.db2.gz SENHKECBLLLZII-CYBMUJFWSA-N -1 1 336.347 3.644 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1[O-] ZINC000190104269 1038488812 /nfs/dbraw/zinc/48/88/12/1038488812.db2.gz HXAHOQFOJYFYMK-INIZCTEOSA-N -1 1 326.783 3.895 20 30 EHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000539112262 1038690767 /nfs/dbraw/zinc/69/07/67/1038690767.db2.gz RXMIDUBLOXMNEB-UHFFFAOYSA-N -1 1 347.436 3.839 20 30 EHEDMM CC(C)(CC#N)CN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418962364 1039173824 /nfs/dbraw/zinc/17/38/24/1039173824.db2.gz KWNYBUKZXKHFMW-UHFFFAOYSA-N -1 1 342.184 3.698 20 30 EHEDMM C=C(CNC(=O)c1cc(Cl)c([O-])c(OCC)c1)c1ccccc1 ZINC000488905629 1039474689 /nfs/dbraw/zinc/47/46/89/1039474689.db2.gz CVHSNNGHLMJODS-UHFFFAOYSA-N -1 1 331.799 3.888 20 30 EHEDMM C=C[C@@H](CCC(=O)[O-])NCc1ccc(Cl)cc1Br ZINC000417622936 1040075510 /nfs/dbraw/zinc/07/55/10/1040075510.db2.gz IDZJGKUNLCTFCI-NSHDSACASA-N -1 1 332.625 3.612 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(Cl)c1 ZINC000486537079 1040229295 /nfs/dbraw/zinc/22/92/95/1040229295.db2.gz ZUVAHZUZRRXBJZ-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000614295706 1040958759 /nfs/dbraw/zinc/95/87/59/1040958759.db2.gz YJMGVSFENUYDCO-OAQYLSRUSA-N -1 1 342.398 3.978 20 30 EHEDMM C=CCC1(S(=O)(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])CC1 ZINC001190815014 1134753568 /nfs/dbraw/zinc/75/35/68/1134753568.db2.gz UVVABRRUUODMDB-UHFFFAOYSA-N -1 1 336.240 3.858 20 30 EHEDMM CC(C)Oc1ncccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000671279027 1126828721 /nfs/dbraw/zinc/82/87/21/1126828721.db2.gz ZIWZIEISQDXHFS-MRXNPFEDSA-N -1 1 331.375 3.907 20 30 EHEDMM CCCOc1ccc(C(C)(C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000619458578 1128600744 /nfs/dbraw/zinc/60/07/44/1128600744.db2.gz JKMMSQDJCWGMAN-UHFFFAOYSA-N -1 1 338.407 3.718 20 30 EHEDMM C=CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001663912943 1120111930 /nfs/dbraw/zinc/11/19/30/1120111930.db2.gz ABXKLTCFDYKXJK-UHFFFAOYSA-N -1 1 326.220 3.623 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000303306462 1121134974 /nfs/dbraw/zinc/13/49/74/1121134974.db2.gz RABLQEFMMRDHPM-UHFFFAOYSA-N -1 1 335.400 3.890 20 30 EHEDMM N#Cc1ccccc1/C=C/C(=O)Nc1ccc(Br)cc1[O-] ZINC000915198920 1121245022 /nfs/dbraw/zinc/24/50/22/1121245022.db2.gz WMAMHGBISUDGCS-VMPITWQZSA-N -1 1 343.180 3.678 20 30 EHEDMM C#CCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)C1CCCCC1 ZINC000762584302 1121368008 /nfs/dbraw/zinc/36/80/08/1121368008.db2.gz IEHQDVDGUJUYOG-UHFFFAOYSA-N -1 1 335.831 3.852 20 30 EHEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(OCc2ccccc2)cc1 ZINC000916241450 1122099863 /nfs/dbraw/zinc/09/98/63/1122099863.db2.gz CFHKZDYJJAFOQZ-UHFFFAOYSA-N -1 1 348.406 3.906 20 30 EHEDMM COc1cc(Cl)c(C=NNc2ccc(C(=O)[O-])cn2)cc1Cl ZINC000763370284 1122146300 /nfs/dbraw/zinc/14/63/00/1122146300.db2.gz NJTNPUISHWLTOB-UHFFFAOYSA-N -1 1 340.166 3.541 20 30 EHEDMM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000130521532 1122603683 /nfs/dbraw/zinc/60/36/83/1122603683.db2.gz OLPLYBDUVPWVJN-IINYFYTJSA-N -1 1 347.267 3.744 20 30 EHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3scnc3c2)ccc1Cl ZINC000195447678 1123442772 /nfs/dbraw/zinc/44/27/72/1123442772.db2.gz MLVMFIMSCVXEOL-UHFFFAOYSA-N -1 1 349.824 3.622 20 30 EHEDMM C=CCCCN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000077615887 1123569835 /nfs/dbraw/zinc/56/98/35/1123569835.db2.gz HXOFMDKBTRIMAN-UHFFFAOYSA-N -1 1 334.416 3.777 20 30 EHEDMM O=C([O-])c1ccccc1COc1cccc(C=NNc2ccccn2)c1 ZINC000731557832 1130809560 /nfs/dbraw/zinc/80/95/60/1130809560.db2.gz YOKLOJOWOFPVJI-UHFFFAOYSA-N -1 1 347.374 3.805 20 30 EHEDMM C=C(C)CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000744299508 1132067321 /nfs/dbraw/zinc/06/73/21/1132067321.db2.gz DVNYPQXVQWUQJI-UHFFFAOYSA-N -1 1 345.420 3.610 20 30 EHEDMM N#Cc1ccc(NC(=O)Cc2cccc(F)c2C(F)(F)F)c([O-])c1 ZINC001181679146 1133513452 /nfs/dbraw/zinc/51/34/52/1133513452.db2.gz SUBCLVDKQGEMBK-UHFFFAOYSA-N -1 1 338.260 3.603 20 30 EHEDMM N#Cc1ccc2c(c1)CC[C@H]2[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000786382122 1133842630 /nfs/dbraw/zinc/84/26/30/1133842630.db2.gz PYALBEISQHXGMV-OAHLLOKOSA-N -1 1 348.299 3.732 20 30 EHEDMM COc1cccc(C(=O)/C(=C/c2ccc([O-])c(F)c2)c2ncc[nH]2)c1 ZINC000787170582 1133965679 /nfs/dbraw/zinc/96/56/79/1133965679.db2.gz XRIAHVGJQSNIBL-DHDCSXOGSA-N -1 1 338.338 3.687 20 30 EHEDMM CC(/C=C\C(=O)c1cc(O)ccc1[O-])=C/c1cccc([N+](=O)[O-])c1 ZINC000787172207 1133966806 /nfs/dbraw/zinc/96/68/06/1133966806.db2.gz SQNZPYQSSHYHFU-ZSIOEQIDSA-N -1 1 325.320 3.848 20 30 EHEDMM O=C([O-])CCOc1cccc(C=NNc2nc3ccccc3s2)c1 ZINC000746677122 1133993130 /nfs/dbraw/zinc/99/31/30/1133993130.db2.gz QZRLYXSUJKGHRL-UHFFFAOYSA-N -1 1 341.392 3.596 20 30 EHEDMM O=C([O-])CCOc1cccc(C=[NH+][N-]c2nc3ccccc3s2)c1 ZINC000746677122 1133993134 /nfs/dbraw/zinc/99/31/34/1133993134.db2.gz QZRLYXSUJKGHRL-UHFFFAOYSA-N -1 1 341.392 3.596 20 30 EHEDMM CC(C)C(C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C(C)C ZINC000789017519 1134208944 /nfs/dbraw/zinc/20/89/44/1134208944.db2.gz IMXFXFZVTOHILP-UHFFFAOYSA-N -1 1 332.452 3.613 20 30 EHEDMM C#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)cc1 ZINC001189986423 1134646520 /nfs/dbraw/zinc/64/65/20/1134646520.db2.gz RWWMXFGGGHOREG-UHFFFAOYSA-N -1 1 343.301 3.627 20 30 EHEDMM C=CCC1(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(C)=O)CC1 ZINC001190813555 1134759712 /nfs/dbraw/zinc/75/97/12/1134759712.db2.gz KIXBYKCVSJPPGT-UHFFFAOYSA-N -1 1 347.358 3.758 20 30 EHEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1nccnc1-c1ccccc1 ZINC001191474306 1134868964 /nfs/dbraw/zinc/86/89/64/1134868964.db2.gz FCSMFXJCRJBMLW-UHFFFAOYSA-N -1 1 336.301 3.546 20 30 EHEDMM COc1ccc2cc(S(=O)(=O)[N-]c3cccc(C#N)c3)ccc2c1 ZINC001191932532 1134943233 /nfs/dbraw/zinc/94/32/33/1134943233.db2.gz RGCJVLGZDHNLMU-UHFFFAOYSA-N -1 1 338.388 3.521 20 30 EHEDMM CC[C@@H](C)OC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001195087184 1135367274 /nfs/dbraw/zinc/36/72/74/1135367274.db2.gz UZEOFTICUQTJTO-IYPWXLATSA-N -1 1 346.412 3.569 20 30 EHEDMM N#Cc1cccc(C(F)(F)F)c1NC(=O)c1cc([O-])cnc1Cl ZINC001195309222 1135410728 /nfs/dbraw/zinc/41/07/28/1135410728.db2.gz OWWHLFNAEGXTAA-UHFFFAOYSA-N -1 1 341.676 3.583 20 30 EHEDMM CC(C)Oc1c(F)ccc(C(=O)Nc2ccc(C#N)cc2[O-])c1F ZINC001196920857 1135626387 /nfs/dbraw/zinc/62/63/87/1135626387.db2.gz LVWOPTSDYHOLHJ-UHFFFAOYSA-N -1 1 332.306 3.582 20 30 EHEDMM CCc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1C#N ZINC001197292576 1135674399 /nfs/dbraw/zinc/67/43/99/1135674399.db2.gz MNLLQLGSBHSGQO-UHFFFAOYSA-N -1 1 345.196 3.841 20 30 EHEDMM N#Cc1cccc(NC(=S)Nc2ccc(Br)cc2[O-])c1 ZINC001197709021 1135728674 /nfs/dbraw/zinc/72/86/74/1135728674.db2.gz OFMCZQVBTWQGIT-UHFFFAOYSA-N -1 1 348.225 3.835 20 30 EHEDMM CCc1ccc([C@H](C#N)[N-]C(=O)C(F)(F)c2ccc(F)cc2)cc1 ZINC000809258230 1135810400 /nfs/dbraw/zinc/81/04/00/1135810400.db2.gz OQCFLNRFZWERBD-INIZCTEOSA-N -1 1 332.325 3.861 20 30 EHEDMM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198868711 1135864665 /nfs/dbraw/zinc/86/46/65/1135864665.db2.gz MBSWZCTXKVNHOC-UHFFFAOYSA-N -1 1 330.340 3.553 20 30 EHEDMM N#Cc1ccc(OCCCSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000809984841 1135908793 /nfs/dbraw/zinc/90/87/93/1135908793.db2.gz BMSFWRPTYVQNMP-UHFFFAOYSA-N -1 1 337.351 3.553 20 30 EHEDMM C[C@@H](COc1ccccc1)NN=Cc1ccc([O-])c(Br)c1 ZINC000811664195 1136118900 /nfs/dbraw/zinc/11/89/00/1136118900.db2.gz BNYHIHHOUBNDFR-LBPRGKRZSA-N -1 1 349.228 3.546 20 30 EHEDMM COc1ccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)cc1O ZINC000811699355 1136127504 /nfs/dbraw/zinc/12/75/04/1136127504.db2.gz SEVVCDQYMGDQAW-GORDUTHDSA-N -1 1 349.180 3.765 20 30 EHEDMM C[C@H]1CC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]1C ZINC000814830167 1136512812 /nfs/dbraw/zinc/51/28/12/1136512812.db2.gz ZYKCBIBLODYWJN-KBPBESRZSA-N -1 1 343.452 3.931 20 30 EHEDMM COCCOc1ccc(N[C@H](C)c2cccc(C#N)c2[O-])c(C)c1 ZINC000866322468 1137345428 /nfs/dbraw/zinc/34/54/28/1137345428.db2.gz VWROYIPFIXFEQY-CQSZACIVSA-N -1 1 326.396 3.771 20 30 EHEDMM COC(=O)c1ccc(Cl)c(/C=C2/Cc3cc([O-])ccc3C2=O)c1 ZINC000794944686 1137372763 /nfs/dbraw/zinc/37/27/63/1137372763.db2.gz HUYKGTPROUTWKX-JYRVWZFOSA-N -1 1 328.751 3.655 20 30 EHEDMM COc1cccc(C(=O)Nc2c(C#N)cccc2C(F)(F)F)c1[O-] ZINC001148201645 1137420157 /nfs/dbraw/zinc/42/01/57/1137420157.db2.gz ASWORAFMBOAPJU-UHFFFAOYSA-N -1 1 336.269 3.544 20 30 EHEDMM N#CCN(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148797566 1137435178 /nfs/dbraw/zinc/43/51/78/1137435178.db2.gz DMQAOEQTLKWLIA-UHFFFAOYSA-N -1 1 334.297 3.577 20 30 EHEDMM CC1=CCC[C@@H](C)[C@H]1C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000773205460 1137478255 /nfs/dbraw/zinc/47/82/55/1137478255.db2.gz CNMGLRJSUMRRBV-OLZOCXBDSA-N -1 1 342.447 3.677 20 30 EHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000337769397 1138663539 /nfs/dbraw/zinc/66/35/39/1138663539.db2.gz UTAPTIBFMRDCAF-UHFFFAOYSA-N -1 1 347.465 3.513 20 30 EHEDMM CCCCCCCC[C@H](CO)NC(=O)c1c(F)ccc([O-])c1F ZINC000889696152 1139256396 /nfs/dbraw/zinc/25/63/96/1139256396.db2.gz FEOFQOXBOFANFO-GFCCVEGCSA-N -1 1 329.387 3.512 20 30 EHEDMM C/C(=C/CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C(=O)[O-] ZINC000825729871 601051509 /nfs/dbraw/zinc/05/15/09/601051509.db2.gz NPGVBOJECHOJSR-DHDCSXOGSA-N -1 1 338.382 3.730 20 30 EHEDMM CC(C)Oc1ccccc1[C@H](C)N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827063231 601296783 /nfs/dbraw/zinc/29/67/83/601296783.db2.gz XZYZYPWYZYHRTG-IFXJQAMLSA-N -1 1 338.407 3.822 20 30 EHEDMM Cc1c2ccccc2oc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822014854 606389380 /nfs/dbraw/zinc/38/93/80/606389380.db2.gz ACLGKKFSKAFSOI-SOFGYWHQSA-N -1 1 336.376 3.879 20 30 EHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)CCCC2 ZINC000822923294 606390015 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Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(OCC(C)C)c1 ZINC000513367574 1019574441 /nfs/dbraw/zinc/57/44/41/1019574441.db2.gz YAKABTLLMPRTCR-UHFFFAOYSA-N -1 1 344.436 3.702 20 30 EHEDMM CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000519815619 1021702138 /nfs/dbraw/zinc/70/21/38/1021702138.db2.gz AOVUUOAUKBOBHE-UHFFFAOYSA-N -1 1 344.864 3.809 20 30 EHEDMM Cc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000519059642 1021804964 /nfs/dbraw/zinc/80/49/64/1021804964.db2.gz IGONGIGOYDONRM-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM CCOCc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])ccc1OC ZINC000255381564 1022267960 /nfs/dbraw/zinc/26/79/60/1022267960.db2.gz SJDQAJLSKBLCON-DAXSKMNVSA-N -1 1 328.364 3.539 20 30 EHEDMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000330865576 1022689527 /nfs/dbraw/zinc/68/95/27/1022689527.db2.gz RNKIEIYDBMKQOG-MEBBXXQBSA-N -1 1 327.371 3.816 20 30 EHEDMM COc1cc2c(c(/C=C3\Oc4cc([O-])cc(C)c4C3=O)c1)O[C@@H](C)C2 ZINC000728440912 1024495477 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COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])c(Br)c1 ZINC000794699333 1137236670 /nfs/dbraw/zinc/23/66/70/1137236670.db2.gz FBFORXBBMLVTSS-UTCJRWHESA-N -1 1 349.180 3.765 20 30 EHEDMM C[C@@H](Nc1cc(N2CCCC2=O)ccc1F)c1cccc(C#N)c1[O-] ZINC000866325568 1137345780 /nfs/dbraw/zinc/34/57/80/1137345780.db2.gz LLTFUABBSDCQKX-GFCCVEGCSA-N -1 1 339.370 3.703 20 30 EHEDMM N#Cc1ccc(NC(=O)c2ccc(-c3ccc(O)cc3)cc2)c([O-])c1 ZINC001148878514 1137436009 /nfs/dbraw/zinc/43/60/09/1137436009.db2.gz AFTXPBCWAZNZPU-UHFFFAOYSA-N -1 1 330.343 3.889 20 30 EHEDMM C[C@H](Nc1cccc([C@H]2CCCC(=O)N2)c1)c1cccc(C#N)c1[O-] ZINC000886808199 1138145974 /nfs/dbraw/zinc/14/59/74/1138145974.db2.gz DZLBRESYEUFMFT-SCLBCKFNSA-N -1 1 335.407 3.778 20 30 EHEDMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000337133592 1138474881 /nfs/dbraw/zinc/47/48/81/1138474881.db2.gz AZMGSSXXGFKGGN-UHFFFAOYSA-N -1 1 329.425 3.569 20 30 EHEDMM CCCCCCC[C@@H](C)CNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000176087014 1139538199 /nfs/dbraw/zinc/53/81/99/1139538199.db2.gz JTPIBNALCCJNBZ-GFCCVEGCSA-N -1 1 339.505 3.527 20 30 EHEDMM CCOc1c(OC)cc(/C=C2/Cc3cc([O-])ccc3C2=O)cc1OC ZINC000187225680 1140244882 /nfs/dbraw/zinc/24/48/82/1140244882.db2.gz GFZPVFIBFQJJCY-AUWJEWJLSA-N -1 1 340.375 3.631 20 30 EHEDMM O=C([O-])c1ccc2[nH]cc(C=NNc3nc4ccccc4s3)c2c1 ZINC000740189278 600180761 /nfs/dbraw/zinc/18/07/61/600180761.db2.gz IPARKHVXBRKYTL-UHFFFAOYSA-N -1 1 336.376 3.922 20 30 EHEDMM C[C@H](Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)C(=O)[O-] ZINC000794856388 602065638 /nfs/dbraw/zinc/06/56/38/602065638.db2.gz JJXADTXUNKUHLO-NSHDSACASA-N -1 1 341.392 3.594 20 30 EHEDMM C[C@H](Oc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1)C(=O)[O-] ZINC000794856388 602065643 /nfs/dbraw/zinc/06/56/43/602065643.db2.gz JJXADTXUNKUHLO-NSHDSACASA-N -1 1 341.392 3.594 20 30 EHEDMM C[C@H](Oc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1)C(=O)[O-] ZINC000833541664 605120054 /nfs/dbraw/zinc/12/00/54/605120054.db2.gz SBQYFABAECKREN-HNAYVOBHSA-N -1 1 338.407 3.673 20 30 EHEDMM O=C(C=Cc1cc2cc(F)ccc2o1)c1ccc(-c2nnn[n-]2)s1 ZINC000826399836 608092403 /nfs/dbraw/zinc/09/24/03/608092403.db2.gz HIZZNTLQIQYEKX-NSCUHMNNSA-N -1 1 340.339 3.710 20 30 EHEDMM O=C(C=Cc1cc2cc(F)ccc2o1)c1ccc(-c2nn[n-]n2)s1 ZINC000826399836 608092404 /nfs/dbraw/zinc/09/24/04/608092404.db2.gz HIZZNTLQIQYEKX-NSCUHMNNSA-N -1 1 340.339 3.710 20 30 EHEDMM O=C(C=Cc1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400772 608092925 /nfs/dbraw/zinc/09/29/25/608092925.db2.gz HYEQQKQRXJEHMF-PLNGDYQASA-N -1 1 334.763 3.617 20 30 EHEDMM O=C(C=Cc1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400772 608092926 /nfs/dbraw/zinc/09/29/26/608092926.db2.gz HYEQQKQRXJEHMF-PLNGDYQASA-N -1 1 334.763 3.617 20 30 EHEDMM CC[C@@H]1C[C@H](C)CCC1N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825180845 608749969 /nfs/dbraw/zinc/74/99/69/608749969.db2.gz BBAPQMKZGFBKNB-GHMZBOCLSA-N -1 1 331.424 3.592 20 30 EHEDMM C[C@@H]1CCc2nc(CN=Nc3cccc(F)c3C(=O)[O-])sc2C1 ZINC001594451050 999649499 /nfs/dbraw/zinc/64/94/99/999649499.db2.gz TVMXZINBCLPBIP-SECBINFHSA-N -1 1 333.388 3.551 20 30 EHEDMM N#Cc1c([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000602226759 1032720075 /nfs/dbraw/zinc/72/00/75/1032720075.db2.gz TYLODBFHDGWHAB-UHFFFAOYSA-N -1 1 345.355 3.798 20 30 EHEDMM Cc1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)nc1 ZINC001211010633 1019203162 /nfs/dbraw/zinc/20/31/62/1019203162.db2.gz SUSFGNNHCRORAM-VXLYETTFSA-N -1 1 337.408 3.669 20 30 EHEDMM N#C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccccc1F ZINC000436818655 1021246028 /nfs/dbraw/zinc/24/60/28/1021246028.db2.gz LJJZPMCJDSYWKK-ZDUSSCGKSA-N -1 1 338.260 3.545 20 30 EHEDMM N#Cc1cccc(-c2cc(-c3nc(-c4ccc([O-])c(F)c4)no3)on2)c1 ZINC000436880551 1021334575 /nfs/dbraw/zinc/33/45/75/1021334575.db2.gz RSIJLUBDPYRYGR-UHFFFAOYSA-N -1 1 348.293 3.775 20 30 EHEDMM COc1cc(C(=O)N(CCC#N)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000517008946 1021934872 /nfs/dbraw/zinc/93/48/72/1021934872.db2.gz RAOZIEMFZDBDTD-UHFFFAOYSA-N -1 1 348.761 3.754 20 30 EHEDMM C=CCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000102331619 1022318191 /nfs/dbraw/zinc/31/81/91/1022318191.db2.gz BOHICXOZHBHQTC-UHFFFAOYSA-N -1 1 344.436 3.701 20 30 EHEDMM O=C(N[C@H]1CCOC2(CCC2)C1)c1ccc(Br)c([O-])c1 ZINC000328933106 1022549486 /nfs/dbraw/zinc/54/94/86/1022549486.db2.gz ILKRZQNWYJBRLW-NSHDSACASA-N -1 1 340.217 3.561 20 30 EHEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3cc(F)ccc3[O-])cn2)c1 ZINC000610573130 1022580284 /nfs/dbraw/zinc/58/02/84/1022580284.db2.gz GTLUYFFYGKVNHV-UHFFFAOYSA-N -1 1 349.321 3.843 20 30 EHEDMM N#CC(=C([O-])c1c[nH]nc1-c1ccoc1)c1ccc(C(F)(F)F)cn1 ZINC000434614489 1024198039 /nfs/dbraw/zinc/19/80/39/1024198039.db2.gz JPJCRMBTENSGNE-NSHDSACASA-N -1 1 346.268 3.574 20 30 EHEDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000329965880 1024269995 /nfs/dbraw/zinc/26/99/95/1024269995.db2.gz RMCWLLDNNNAZBL-YNEHKIRRSA-N -1 1 335.473 3.876 20 30 EHEDMM C=C1CCC(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000895562807 1024614154 /nfs/dbraw/zinc/61/41/54/1024614154.db2.gz WBXDGTSJAROEND-UHFFFAOYSA-N -1 1 327.424 3.560 20 30 EHEDMM COc1ccc2occ(C([O-])=C(C#N)c3nc4ccccc4[nH]3)c2c1 ZINC000441999516 1025129053 /nfs/dbraw/zinc/12/90/53/1025129053.db2.gz IRNPDFIBFIDHTN-CYBMUJFWSA-N -1 1 331.331 3.808 20 30 EHEDMM N#Cc1cc(NC(=O)c2ccc([O-])cc2F)ccc1OC(F)(F)F ZINC000442936014 1025598164 /nfs/dbraw/zinc/59/81/64/1025598164.db2.gz WMRYNDBQCVWEBI-UHFFFAOYSA-N -1 1 340.232 3.554 20 30 EHEDMM C=C(C)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000451801522 1026291327 /nfs/dbraw/zinc/29/13/27/1026291327.db2.gz IKMNGCDHIHPORZ-UHFFFAOYSA-N -1 1 327.755 3.603 20 30 EHEDMM CN(CCc1cccc2ccccc21)C(=O)c1ccc(C#N)c([O-])c1 ZINC000187879926 1028392129 /nfs/dbraw/zinc/39/21/29/1028392129.db2.gz GKYXEWMMSONVQN-UHFFFAOYSA-N -1 1 330.387 3.732 20 30 EHEDMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000168593350 1031483222 /nfs/dbraw/zinc/48/32/22/1031483222.db2.gz CPJFGAIFJAWVDD-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000592824534 1033515171 /nfs/dbraw/zinc/51/51/71/1033515171.db2.gz OTVAVWIPXCYKDD-FQEVSTJZSA-N -1 1 338.382 3.640 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000603624578 1033812261 /nfs/dbraw/zinc/81/22/61/1033812261.db2.gz QXNHAWBQTFUEAQ-UHFFFAOYSA-N -1 1 346.411 3.930 20 30 EHEDMM C=CCCC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000177045235 1034234592 /nfs/dbraw/zinc/23/45/92/1034234592.db2.gz MGWRSTVPOPTIOK-UHFFFAOYSA-N -1 1 340.404 3.661 20 30 EHEDMM CC(C)(c1ccc(F)cc1)C1(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000456775065 1034716206 /nfs/dbraw/zinc/71/62/06/1034716206.db2.gz NXXFVDJWIWIUTQ-UHFFFAOYSA-N -1 1 338.382 3.643 20 30 EHEDMM COc1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)cc1[N+](=O)[O-] ZINC000255879993 1035386851 /nfs/dbraw/zinc/38/68/51/1035386851.db2.gz KEHUYKLFKVSIJK-MDWZMJQESA-N -1 1 325.320 3.522 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c2cccnc2c1C ZINC000174022900 1035840201 /nfs/dbraw/zinc/84/02/01/1035840201.db2.gz QUCLJLXLCIDANC-UHFFFAOYSA-N -1 1 337.404 3.524 20 30 EHEDMM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)c(OCC(C)C)c1 ZINC000190773951 1036292496 /nfs/dbraw/zinc/29/24/96/1036292496.db2.gz KBYWQJUVJSFXFN-OAHLLOKOSA-N -1 1 344.436 3.985 20 30 EHEDMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589180752 1036294733 /nfs/dbraw/zinc/29/47/33/1036294733.db2.gz UQNXDGQNIBZINA-NSHDSACASA-N -1 1 348.324 3.644 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000589197066 1036303877 /nfs/dbraw/zinc/30/38/77/1036303877.db2.gz WZTCVDNXHZWYIJ-INIZCTEOSA-N -1 1 342.782 3.561 20 30 EHEDMM COc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1C(F)(F)F ZINC000589215380 1036316086 /nfs/dbraw/zinc/31/60/86/1036316086.db2.gz NKCXNZVRZPSETD-UHFFFAOYSA-N -1 1 336.269 3.544 20 30 EHEDMM CC(=NNc1ccccc1C(=O)[O-])c1nc2ccc(Cl)cc2n1C ZINC000760240285 1036388412 /nfs/dbraw/zinc/38/84/12/1036388412.db2.gz BROANNWLVHAGKW-UHFFFAOYSA-N -1 1 342.786 3.761 20 30 EHEDMM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000102594997 1036744155 /nfs/dbraw/zinc/74/41/55/1036744155.db2.gz UAOMDIPDPAJTEX-OAHLLOKOSA-N -1 1 341.374 3.547 20 30 EHEDMM C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000591535762 1037477666 /nfs/dbraw/zinc/47/76/66/1037477666.db2.gz IGCVQMZVSAFYHL-HXUWFJFHSA-N -1 1 338.382 3.640 20 30 EHEDMM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000591835248 1037645148 /nfs/dbraw/zinc/64/51/48/1037645148.db2.gz FNYFNNRRGOORAF-LJQANCHMSA-N -1 1 340.398 3.742 20 30 EHEDMM CC[C@@H](NCc1nnc(C(C)(C)C)s1)c1cccc(C#N)c1[O-] ZINC000925519538 1038031842 /nfs/dbraw/zinc/03/18/42/1038031842.db2.gz SJDQUXHYHCTXBK-CYBMUJFWSA-N -1 1 330.457 3.654 20 30 EHEDMM CCOCc1nc(C)cc(N=NC(C)c2ccc([O-])c(Cl)c2)n1 ZINC000905498105 1038933222 /nfs/dbraw/zinc/93/32/22/1038933222.db2.gz CLXUACDGJFTYOT-UHFFFAOYSA-N -1 1 334.807 3.517 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1 ZINC000028260094 1039005998 /nfs/dbraw/zinc/00/59/98/1039005998.db2.gz XGVYYYDPHPSTSK-UHFFFAOYSA-N -1 1 342.420 3.680 20 30 EHEDMM C=C[C@H](CCC(=O)[O-])NCc1cc(Cl)c(C)cc1Br ZINC000417606333 1040057746 /nfs/dbraw/zinc/05/77/46/1040057746.db2.gz DLVSFSYZMSVQEN-LLVKDONJSA-N -1 1 346.652 3.920 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(F)cc1F ZINC000486490344 1040197354 /nfs/dbraw/zinc/19/73/54/1040197354.db2.gz SFFLMNFJQGWXET-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(Cl)c2C)n1 ZINC000490729499 1040711604 /nfs/dbraw/zinc/71/16/04/1040711604.db2.gz KZRFVVBZMOYCAU-NSHDSACASA-N -1 1 348.811 3.772 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000600191647 1040802154 /nfs/dbraw/zinc/80/21/54/1040802154.db2.gz LHHOEFKHJPXGJS-CQSZACIVSA-N -1 1 342.345 3.562 20 30 EHEDMM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614293532 1040955689 /nfs/dbraw/zinc/95/56/89/1040955689.db2.gz ZVGZBXVDASJKNL-UHFFFAOYSA-N -1 1 335.190 3.843 20 30 EHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000511731537 1041497009 /nfs/dbraw/zinc/49/70/09/1041497009.db2.gz ZJVUWVVEUYXBSU-UHFFFAOYSA-N -1 1 329.421 3.541 20 30 EHEDMM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000112222403 1044588153 /nfs/dbraw/zinc/58/81/53/1044588153.db2.gz UHSZRTBKRQPJHG-OAHLLOKOSA-N -1 1 341.374 3.547 20 30 EHEDMM C=CC(C)(C)CCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000624468482 1128369492 /nfs/dbraw/zinc/36/94/92/1128369492.db2.gz NXWVVBCESHDUBY-UHFFFAOYSA-N -1 1 344.455 3.599 20 30 EHEDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000064475184 1128933085 /nfs/dbraw/zinc/93/30/85/1128933085.db2.gz IWHDTANSZFQMOL-UHFFFAOYSA-N -1 1 338.841 3.734 20 30 EHEDMM C=C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000495957689 1121582405 /nfs/dbraw/zinc/58/24/05/1121582405.db2.gz QUYSAAVZZPPDNH-AWEZNQCLSA-N -1 1 346.427 3.920 20 30 EHEDMM CSc1ccc(C(C)=N[N-]c2[nH+]cnc3[n-]cnc32)c(Cl)c1 ZINC000763355332 1122064563 /nfs/dbraw/zinc/06/45/63/1122064563.db2.gz CPRSEEYEHIGNTH-UHFFFAOYSA-N -1 1 332.820 3.564 20 30 EHEDMM Cc1cc(=O)[n-]c(NN=Cc2c(OC(F)F)ccc3ccccc32)n1 ZINC000916242558 1122106796 /nfs/dbraw/zinc/10/67/96/1122106796.db2.gz UBXPEAYAKJBEOP-UHFFFAOYSA-N -1 1 344.321 3.691 20 30 EHEDMM COc1cc(Cl)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000498971604 1123137440 /nfs/dbraw/zinc/13/74/40/1123137440.db2.gz AZWDGFORBSBQFL-CQSZACIVSA-N -1 1 337.766 3.782 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000616030232 1123928630 /nfs/dbraw/zinc/92/86/30/1123928630.db2.gz MDPCATNAOGDXSU-QGZVFWFLSA-N -1 1 326.783 3.895 20 30 EHEDMM Cc1cc2sc(NC(=O)c3cc([O-])cc(C#N)c3)nc2cc1F ZINC000619456596 1125350055 /nfs/dbraw/zinc/35/00/55/1125350055.db2.gz VBHNNSXDUNDEEQ-UHFFFAOYSA-N -1 1 327.340 3.573 20 30 EHEDMM CCCCOc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619462229 1125350513 /nfs/dbraw/zinc/35/05/13/1125350513.db2.gz RYRBCEQXAXAFDY-UHFFFAOYSA-N -1 1 344.436 3.732 20 30 EHEDMM N#C[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CCCCC1 ZINC000619582495 1125368128 /nfs/dbraw/zinc/36/81/28/1125368128.db2.gz OVXXSCJUQURSHN-CYBMUJFWSA-N -1 1 326.318 3.613 20 30 EHEDMM CCOc1cc(C(=O)Nc2cc(C#N)ccc2C)cc(Cl)c1[O-] ZINC000186717075 1129763712 /nfs/dbraw/zinc/76/37/12/1129763712.db2.gz NMHXKTATSXMHHX-UHFFFAOYSA-N -1 1 330.771 3.877 20 30 EHEDMM COc1ccc([C@H]2CCCCC2N=Nc2nc(C)cc(=O)[n-]2)cc1F ZINC000732709485 1130950565 /nfs/dbraw/zinc/95/05/65/1130950565.db2.gz BNTGYJFGSFJNKC-CYBMUJFWSA-N -1 1 344.390 3.764 20 30 EHEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c([O-])cccc2Cl)c1 ZINC000733809807 1131080781 /nfs/dbraw/zinc/08/07/81/1131080781.db2.gz HXTBLKUTZWJGSH-ZDUSSCGKSA-N -1 1 344.798 3.657 20 30 EHEDMM CC(C)Oc1cc(Cl)ccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC001176415618 1132933462 /nfs/dbraw/zinc/93/34/62/1132933462.db2.gz JGAXWWCUVVJRPF-UHFFFAOYSA-N -1 1 344.798 3.634 20 30 EHEDMM CC[C@@H]1C[C@H](C)CCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769585332 1133317266 /nfs/dbraw/zinc/31/72/66/1133317266.db2.gz LXXYFCGHCLPRPU-VXGBXAGGSA-N -1 1 344.463 3.901 20 30 EHEDMM CC(=NN[C@@H](CO)c1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000788459226 1134127184 /nfs/dbraw/zinc/12/71/84/1134127184.db2.gz CUACXEIZYXCQRJ-HNNXBMFYSA-N -1 1 339.222 3.746 20 30 EHEDMM N#Cc1ccc(NC(=O)c2ccc([O-])cc2F)c(OC(F)(F)F)c1 ZINC001186329323 1134202978 /nfs/dbraw/zinc/20/29/78/1134202978.db2.gz PXDJVZAKDUTPIH-UHFFFAOYSA-N -1 1 340.232 3.554 20 30 EHEDMM CC1=C[C@H](C)C[C@H](C=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1 ZINC000789637435 1134308874 /nfs/dbraw/zinc/30/88/74/1134308874.db2.gz RLAJJVWDBSLQHV-AAEUAGOBSA-N -1 1 342.447 3.677 20 30 EHEDMM CC(C)(C#N)c1ccc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001188561857 1134476414 /nfs/dbraw/zinc/47/64/14/1134476414.db2.gz CZGZUZMOELBWLQ-UHFFFAOYSA-N -1 1 349.312 3.859 20 30 EHEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1 ZINC001189387867 1134578581 /nfs/dbraw/zinc/57/85/81/1134578581.db2.gz BXPVVFIRNHLYFY-UHFFFAOYSA-N -1 1 325.364 3.761 20 30 EHEDMM COc1cc(C(=O)Nc2ccc(C#N)cc2[O-])ccc1C(F)(F)F ZINC001190807440 1134753828 /nfs/dbraw/zinc/75/38/28/1134753828.db2.gz WKMYDVLKRPPJCT-UHFFFAOYSA-N -1 1 336.269 3.544 20 30 EHEDMM CC(C)(C)c1cc(C(=O)Nc2c[nH]nc2C#N)c([O-])c(C(C)(C)C)c1 ZINC001190957665 1134770977 /nfs/dbraw/zinc/77/09/77/1134770977.db2.gz OTBUXGXJGGTFNE-UHFFFAOYSA-N -1 1 340.427 3.834 20 30 EHEDMM COC(=O)c1cc(NN=C(C)c2cc(F)cc(F)c2[O-])ccc1C ZINC000793090477 1134848837 /nfs/dbraw/zinc/84/88/37/1134848837.db2.gz UQTHEJLUSARFMY-UHFFFAOYSA-N -1 1 334.322 3.602 20 30 EHEDMM N#Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)nc2)c([O-])c1 ZINC001192081046 1134960339 /nfs/dbraw/zinc/96/03/39/1134960339.db2.gz DMKMIDMBBQZWNO-UHFFFAOYSA-N -1 1 331.331 3.703 20 30 EHEDMM C#CCN(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000804834398 1135205756 /nfs/dbraw/zinc/20/57/56/1135205756.db2.gz BNLIVBUHKHKQCF-UHFFFAOYSA-N -1 1 333.309 3.687 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCCCC2)o1 ZINC000804950823 1135218244 /nfs/dbraw/zinc/21/82/44/1135218244.db2.gz JYZJINQTXPDLKU-SFHVURJKSA-N -1 1 344.436 3.751 20 30 EHEDMM C=CCOC(=O)Nc1cc(Br)c(C(F)(F)F)cc1[O-] ZINC001194330059 1135259909 /nfs/dbraw/zinc/25/99/09/1135259909.db2.gz ZQVXOETYCMYXIE-UHFFFAOYSA-N -1 1 340.095 3.908 20 30 EHEDMM CCOC(=O)NC(=S)[N-]c1cccc(Oc2ccc(C#N)cc2)c1 ZINC001195494603 1135434128 /nfs/dbraw/zinc/43/41/28/1135434128.db2.gz MQZBKJAXNFLBBM-UHFFFAOYSA-N -1 1 341.392 3.793 20 30 EHEDMM CCCCCCCCCCNC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806487852 1135451116 /nfs/dbraw/zinc/45/11/16/1135451116.db2.gz FQKHVKJUTLXERY-UHFFFAOYSA-N -1 1 331.464 3.604 20 30 EHEDMM N#Cc1ccc(NC(=S)Nc2ccc(Br)cc2)c([O-])c1 ZINC001196628485 1135590142 /nfs/dbraw/zinc/59/01/42/1135590142.db2.gz YORYSNMJUPWJBI-UHFFFAOYSA-N -1 1 348.225 3.835 20 30 EHEDMM Cc1cc(Br)oc1C(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001197326762 1135679594 /nfs/dbraw/zinc/67/95/94/1135679594.db2.gz PHWBREOQOZJKCX-UHFFFAOYSA-N -1 1 341.111 3.753 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C2CC2)cc1C#N 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/nfs/dbraw/zinc/16/79/53/1141167953.db2.gz ZNUXXGRXJUSBAJ-UHFFFAOYSA-N -1 1 339.505 3.622 20 30 EHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C(C)C)C2CCCCC2)o1 ZINC000735684632 598900029 /nfs/dbraw/zinc/90/00/29/598900029.db2.gz QQHDURQSSFWQBL-UHFFFAOYSA-N -1 1 345.451 3.982 20 30 EHEDMM C[C@@H](Oc1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1)C(=O)[O-] ZINC000833541661 605120357 /nfs/dbraw/zinc/12/03/57/605120357.db2.gz SBQYFABAECKREN-BEFAXECRSA-N -1 1 338.407 3.673 20 30 EHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)CCCC2 ZINC000822923298 606390144 /nfs/dbraw/zinc/39/01/44/606390144.db2.gz PONTTZMXGAJKKL-VQHVLOKHSA-N -1 1 336.420 3.703 20 30 EHEDMM CC[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cc(F)ccc1F ZINC001595276036 980298182 /nfs/dbraw/zinc/29/81/82/980298182.db2.gz AYCHIAXJBXASHB-SJORKVTESA-N -1 1 330.334 3.703 20 30 EHEDMM C=C(CCC(=O)[O-])C(=O)Nc1ccccc1-c1nc2ccc(C)cc2[nH]1 ZINC001588634581 983753541 /nfs/dbraw/zinc/75/35/41/983753541.db2.gz XMNCOAGRQAJGQM-UHFFFAOYSA-N -1 1 349.390 3.898 20 30 EHEDMM C=CC[C@@H](N[C@H](C)c1ccccc1OCC(=O)[O-])c1ccncc1 ZINC001588746366 984058118 /nfs/dbraw/zinc/05/81/18/984058118.db2.gz SBIOKMVHZMKBPD-RHSMWYFYSA-N -1 1 326.396 3.513 20 30 EHEDMM C=CCOc1ccc(CN(Cc2cc(C(=O)[O-])no2)C(C)(C)C)cc1 ZINC001588874012 984447084 /nfs/dbraw/zinc/44/70/84/984447084.db2.gz RHICNOJBZGERJR-UHFFFAOYSA-N -1 1 344.411 3.738 20 30 EHEDMM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC001593190814 994127707 /nfs/dbraw/zinc/12/77/07/994127707.db2.gz WRDONPGVESSWSR-ZBEGNZNMSA-N -1 1 346.333 3.636 20 30 EHEDMM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1OC(F)F ZINC001593195084 994143816 /nfs/dbraw/zinc/14/38/16/994143816.db2.gz PNJBXXGMQMCZNQ-BZNIZROVSA-N -1 1 346.333 3.636 20 30 EHEDMM CC[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000614370594 1018884671 /nfs/dbraw/zinc/88/46/71/1018884671.db2.gz QQLRJEHWCVNPBT-UZLBHIALSA-N -1 1 334.419 3.920 20 30 EHEDMM C=CC[C@@H]1CCCN(Cc2nc3cc(C(=O)[O-])ccc3n2CC)C1 ZINC000656760640 1021281551 /nfs/dbraw/zinc/28/15/51/1021281551.db2.gz WJLRYVBMRPBPFL-CQSZACIVSA-N -1 1 327.428 3.543 20 30 EHEDMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427295407 1021286521 /nfs/dbraw/zinc/28/65/21/1021286521.db2.gz JEWMSZHWBFKPGA-UHFFFAOYSA-N -1 1 340.326 3.610 20 30 EHEDMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000476256629 1033074496 /nfs/dbraw/zinc/07/44/96/1033074496.db2.gz ZTDBPSGKKWGUIV-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1F ZINC000427131197 1023232239 /nfs/dbraw/zinc/23/22/39/1023232239.db2.gz OSONOWLRPFPYFM-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000431184520 1023418038 /nfs/dbraw/zinc/41/80/38/1023418038.db2.gz UQMLDLHOBNCCFQ-UHFFFAOYSA-N -1 1 328.437 3.965 20 30 EHEDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000329965879 1024270322 /nfs/dbraw/zinc/27/03/22/1024270322.db2.gz RMCWLLDNNNAZBL-RWMBFGLXSA-N -1 1 335.473 3.876 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1F ZINC000435142314 1024656805 /nfs/dbraw/zinc/65/68/05/1024656805.db2.gz VCMXADCTYXZOAC-UHFFFAOYSA-N -1 1 348.399 3.594 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C\c2cccc(OCCCC#N)c2)c1 ZINC000255498455 1025943173 /nfs/dbraw/zinc/94/31/73/1025943173.db2.gz KITJQWLZHPRTQH-CLFYSBASSA-N -1 1 337.375 3.979 20 30 EHEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436725202 1026077088 /nfs/dbraw/zinc/07/70/88/1026077088.db2.gz WLRPZDJHLJXJDQ-UHFFFAOYSA-N -1 1 331.799 3.883 20 30 EHEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000588535181 1026788297 /nfs/dbraw/zinc/78/82/97/1026788297.db2.gz SNGSPDWXALFUIR-IZZDOVSWSA-N -1 1 347.273 3.724 20 30 EHEDMM N#Cc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1[O-] ZINC000190394127 1027692467 /nfs/dbraw/zinc/69/24/67/1027692467.db2.gz CLHUNRIGXDCQEW-UHFFFAOYSA-N -1 1 338.388 3.761 20 30 EHEDMM C[C@@H](Oc1ccccc1C#N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445479346 1028838271 /nfs/dbraw/zinc/83/82/71/1028838271.db2.gz HASKKJYSCJUGHL-SNVBAGLBSA-N -1 1 325.299 3.593 20 30 EHEDMM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)o1 ZINC000075536139 1030436549 /nfs/dbraw/zinc/43/65/49/1030436549.db2.gz OPNMAJNVODNWMO-CBAPKCEASA-N -1 1 328.294 3.761 20 30 EHEDMM N#C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCCC1 ZINC000161146022 1031359089 /nfs/dbraw/zinc/35/90/89/1031359089.db2.gz FBNRPTSNZFKQEC-ZDUSSCGKSA-N -1 1 347.267 3.744 20 30 EHEDMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000168593479 1031482289 /nfs/dbraw/zinc/48/22/89/1031482289.db2.gz HDKJVPSUJOHIPF-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000594695481 1033512147 /nfs/dbraw/zinc/51/21/47/1033512147.db2.gz RHSGMGDMDVJNIU-CQSZACIVSA-N -1 1 344.436 3.845 20 30 EHEDMM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188388746 1034440965 /nfs/dbraw/zinc/44/09/65/1034440965.db2.gz YECHEDZARNKWDM-LLVKDONJSA-N -1 1 348.324 3.644 20 30 EHEDMM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)c(OCC(C)C)c1 ZINC000190773937 1036290744 /nfs/dbraw/zinc/29/07/44/1036290744.db2.gz KBYWQJUVJSFXFN-HNNXBMFYSA-N -1 1 344.436 3.985 20 30 EHEDMM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)c(OC(F)F)c1 ZINC000190773870 1036291321 /nfs/dbraw/zinc/29/13/21/1036291321.db2.gz UAZYKIXXXMHECH-LLVKDONJSA-N -1 1 338.335 3.552 20 30 EHEDMM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589188916 1036299086 /nfs/dbraw/zinc/29/90/86/1036299086.db2.gz OWSUBEINJNKSFJ-GOSISDBHSA-N -1 1 338.407 3.790 20 30 EHEDMM N#Cc1cccc(-c2csc(NC(=O)c3cc([O-])cc(C#N)c3)n2)c1 ZINC000589195997 1036302935 /nfs/dbraw/zinc/30/29/35/1036302935.db2.gz WJKHIOODEOHQTD-UHFFFAOYSA-N -1 1 346.371 3.511 20 30 EHEDMM CCOc1ccc(C2=CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)cc1 ZINC000589196871 1036303386 /nfs/dbraw/zinc/30/33/86/1036303386.db2.gz KFMCSSUFAMCJLW-UHFFFAOYSA-N -1 1 348.402 3.592 20 30 EHEDMM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2ccc(C#N)c([O-])c2)c1C ZINC000442945130 1036766627 /nfs/dbraw/zinc/76/66/27/1036766627.db2.gz WGDMFEOHFSDMNB-UHFFFAOYSA-N -1 1 333.391 3.600 20 30 EHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1C(F)(F)F ZINC000443275286 1037550212 /nfs/dbraw/zinc/55/02/12/1037550212.db2.gz KYTZEXAJYHECRC-SNVBAGLBSA-N -1 1 334.297 3.774 20 30 EHEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)c1c(F)cccc1Cl ZINC000443276938 1037570728 /nfs/dbraw/zinc/57/07/28/1037570728.db2.gz NIXPQWDGVUMRCW-UHFFFAOYSA-N -1 1 346.789 3.764 20 30 EHEDMM CC1(C)CCc2sc([N-]C(=O)c3cc(C4CC4)no3)c(C#N)c21 ZINC000906263455 1039447379 /nfs/dbraw/zinc/44/73/79/1039447379.db2.gz ZBQZWTDILLOHIG-UHFFFAOYSA-N -1 1 327.409 3.961 20 30 EHEDMM C=C[C@H](CCC(=O)[O-])NCc1ccc(Cl)cc1Br ZINC000417622935 1040076345 /nfs/dbraw/zinc/07/63/45/1040076345.db2.gz IDZJGKUNLCTFCI-LLVKDONJSA-N -1 1 332.625 3.612 20 30 EHEDMM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000908662396 1040563056 /nfs/dbraw/zinc/56/30/56/1040563056.db2.gz MFYDCTPLLRTZAP-ZDUSSCGKSA-N -1 1 341.329 3.551 20 30 EHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000060417587 1128730516 /nfs/dbraw/zinc/73/05/16/1128730516.db2.gz CKZLUZDXHXBACX-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193359874 1120772965 /nfs/dbraw/zinc/77/29/65/1120772965.db2.gz XLWQLYUVWILPRA-UHFFFAOYSA-N -1 1 328.437 3.752 20 30 EHEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)s2)cc1 ZINC000193447055 1121302019 /nfs/dbraw/zinc/30/20/19/1121302019.db2.gz FQUYPSQMGGWBBZ-LBPRGKRZSA-N -1 1 332.812 3.925 20 30 EHEDMM N#CCOc1ccccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000920106313 1123292402 /nfs/dbraw/zinc/29/24/02/1123292402.db2.gz MXPQQFOKZLNRRO-MRXNPFEDSA-N -1 1 327.343 3.627 20 30 EHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c1 ZINC000619461462 1125350666 /nfs/dbraw/zinc/35/06/66/1125350666.db2.gz GOGNERIONACDEW-UHFFFAOYSA-N -1 1 348.427 3.805 20 30 EHEDMM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)-c2ccccc2CC3)on1 ZINC000079058256 1129229690 /nfs/dbraw/zinc/22/96/90/1129229690.db2.gz OIVUTYJVHRBPHJ-UHFFFAOYSA-N -1 1 335.388 3.934 20 30 EHEDMM COc1cc(C)nc(N=NC(C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000766025991 1129822960 /nfs/dbraw/zinc/82/29/60/1129822960.db2.gz PYCJVBJZZNOYLX-UHFFFAOYSA-N -1 1 341.198 3.642 20 30 EHEDMM CCCCCCCCc1nnc(NC(=O)c2cncc([O-])c2)s1 ZINC000731868040 1130856974 /nfs/dbraw/zinc/85/69/74/1130856974.db2.gz JMIMFYDHYQNMSU-UHFFFAOYSA-N -1 1 334.445 3.794 20 30 EHEDMM N#Cc1c([N-]C(=O)c2ncsc2C(F)(F)F)sc2c1CCC2 ZINC000282699709 1131151506 /nfs/dbraw/zinc/15/15/06/1131151506.db2.gz STHSVROSASMQJS-UHFFFAOYSA-N -1 1 343.355 3.836 20 30 EHEDMM Cc1ccc2nc(CN=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[nH]c2c1 ZINC000745977422 1132341978 /nfs/dbraw/zinc/34/19/78/1132341978.db2.gz VKRHSGSNRLLKQC-CNHKJKLMSA-N -1 1 344.758 3.758 20 30 EHEDMM N#Cc1cc(N)c(Nc2c(F)cc([O-])cc2F)cc1C(F)(F)F ZINC001175102074 1132553488 /nfs/dbraw/zinc/55/34/88/1132553488.db2.gz DCOLBBAEDVLKMO-UHFFFAOYSA-N -1 1 329.228 3.887 20 30 EHEDMM CCCCCCC(C=Nn1c(=O)cn[n-]c1=S)=Cc1ccccc1 ZINC000766483418 1132557756 /nfs/dbraw/zinc/55/77/56/1132557756.db2.gz VMRFLBFUUIRVRZ-NHNIICSESA-N -1 1 342.468 3.815 20 30 EHEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)sn2)cc1 ZINC000774051363 1133593004 /nfs/dbraw/zinc/59/30/04/1133593004.db2.gz ISBUUWGARQPDOV-HNNXBMFYSA-N -1 1 341.436 3.755 20 30 EHEDMM CC(=NN[C@H](CO)c1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000788459227 1134127051 /nfs/dbraw/zinc/12/70/51/1134127051.db2.gz CUACXEIZYXCQRJ-OAHLLOKOSA-N -1 1 339.222 3.746 20 30 EHEDMM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000789839023 1134338110 /nfs/dbraw/zinc/33/81/10/1134338110.db2.gz NXCBMYGSVLDQBM-UHFFFAOYSA-N -1 1 334.734 3.841 20 30 EHEDMM N#Cc1cccc(OCCCCC(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000790064474 1134367258 /nfs/dbraw/zinc/36/72/58/1134367258.db2.gz ZYRCESJSKLLPQK-UHFFFAOYSA-N -1 1 345.786 3.500 20 30 EHEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1cn2ccccc2n1 ZINC000791427502 1134556307 /nfs/dbraw/zinc/55/63/07/1134556307.db2.gz HWAPGZFPJYIMEL-ALCCZGGFSA-N -1 1 343.180 3.699 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)ccc1C#N ZINC001189385596 1134577514 /nfs/dbraw/zinc/57/75/14/1134577514.db2.gz LVZHIFIBMKSREP-UHFFFAOYSA-N -1 1 340.379 3.960 20 30 EHEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189388746 1134579432 /nfs/dbraw/zinc/57/94/32/1134579432.db2.gz GHODHSIBONOJRA-UHFFFAOYSA-N -1 1 325.364 3.761 20 30 EHEDMM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190506847 1134708242 /nfs/dbraw/zinc/70/82/42/1134708242.db2.gz NPLCMQKGAXOPFR-UHFFFAOYSA-N -1 1 330.384 3.684 20 30 EHEDMM C=CCOc1ccccc1[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC001192551897 1135029068 /nfs/dbraw/zinc/02/90/68/1135029068.db2.gz HSVZTOGMCGPEBP-NSHDSACASA-N -1 1 333.334 3.726 20 30 EHEDMM C#CCN(Cc1ccccc1)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000804836128 1135207599 /nfs/dbraw/zinc/20/75/99/1135207599.db2.gz WUNVERLKKBHVPM-UHFFFAOYSA-N -1 1 343.810 3.720 20 30 EHEDMM N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Cl)n2)c([O-])c1 ZINC001194392637 1135263177 /nfs/dbraw/zinc/26/31/77/1135263177.db2.gz AAJLHXOBFCPUJA-UHFFFAOYSA-N -1 1 341.676 3.583 20 30 EHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCc3ccccc3O)c2)c1 ZINC001196319672 1135545175 /nfs/dbraw/zinc/54/51/75/1135545175.db2.gz CLFVCCNNWGQWDY-UHFFFAOYSA-N -1 1 344.370 3.566 20 30 EHEDMM CCCCCCCC(=O)c1ccc([O-])c(C(=O)NCc2cnc[nH]2)c1 ZINC001197358796 1135677838 /nfs/dbraw/zinc/67/78/38/1135677838.db2.gz RPLGGDYPACOJCZ-UHFFFAOYSA-N -1 1 343.427 3.589 20 30 EHEDMM N#CC(=C([O-])c1ccnc(C(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000809004240 1135767382 /nfs/dbraw/zinc/76/73/82/1135767382.db2.gz NNURIQRSHCXKGB-NSHDSACASA-N -1 1 342.280 3.534 20 30 EHEDMM COc1cnc(Cl)c(C(=O)[N-]c2c(C#N)oc3ccccc32)c1 ZINC001199259058 1135890862 /nfs/dbraw/zinc/89/08/62/1135890862.db2.gz NKXIHTYQJBOEKP-UHFFFAOYSA-N -1 1 327.727 3.614 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccnc3)c2)cc1C#N ZINC001201316041 1136006010 /nfs/dbraw/zinc/00/60/10/1136006010.db2.gz VBRIULYJDUABNM-UHFFFAOYSA-N -1 1 349.415 3.730 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)cc1C#N ZINC001201317377 1136006823 /nfs/dbraw/zinc/00/68/23/1136006823.db2.gz RBJJSXXXAFKRLY-UHFFFAOYSA-N -1 1 349.415 3.730 20 30 EHEDMM CCCNN=C(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814804592 1136511353 /nfs/dbraw/zinc/51/13/53/1136511353.db2.gz WPQJSYBQHWGFOR-UHFFFAOYSA-N -1 1 345.468 3.519 20 30 EHEDMM Cc1cc2c(c(C)c1)NC(=O)C2=NN=c1[n-]nc(-c2ccccc2)s1 ZINC000814947579 1136530122 /nfs/dbraw/zinc/53/01/22/1136530122.db2.gz YWRIBEDWCKVMBG-UHFFFAOYSA-N -1 1 349.419 3.590 20 30 EHEDMM C=CCC(F)(F)C(=O)[N-]Cc1cc(F)c(F)cc1Br ZINC000816653474 1136744974 /nfs/dbraw/zinc/74/49/74/1136744974.db2.gz UIUTVHLDIOUBSN-UHFFFAOYSA-N -1 1 340.114 3.555 20 30 EHEDMM N#Cc1c(F)cccc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000821044684 1137015097 /nfs/dbraw/zinc/01/50/97/1137015097.db2.gz VKTBBRKMLKRUQZ-UHFFFAOYSA-N -1 1 327.336 3.802 20 30 EHEDMM C[C@@H](C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)CC(F)(F)F ZINC000823588563 1137105295 /nfs/dbraw/zinc/10/52/95/1137105295.db2.gz YDUWOQQMKUNNQJ-SSDOTTSWSA-N -1 1 331.231 3.761 20 30 EHEDMM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1C ZINC000863428080 1137185792 /nfs/dbraw/zinc/18/57/92/1137185792.db2.gz PKUJSQZRCGBZON-UHFFFAOYSA-N -1 1 344.436 3.651 20 30 EHEDMM C=C(Cl)C[C@H](N)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000872180448 1137575362 /nfs/dbraw/zinc/57/53/62/1137575362.db2.gz RMDJDWOFAVRXHK-JTQLQIEISA-N -1 1 344.198 3.637 20 30 EHEDMM C=CCCC[C@@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccccc1 ZINC000879416201 1137747060 /nfs/dbraw/zinc/74/70/60/1137747060.db2.gz QAHGSLHSDZZSET-QGZVFWFLSA-N -1 1 349.438 3.561 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1C ZINC000055640169 1138055932 /nfs/dbraw/zinc/05/59/32/1138055932.db2.gz UBOZRTZHBKJVAB-UHFFFAOYSA-N -1 1 344.436 3.787 20 30 EHEDMM CC(C)(C)Oc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000079794643 1138158635 /nfs/dbraw/zinc/15/86/35/1138158635.db2.gz VGBBYMYHJNLZBK-UHFFFAOYSA-N -1 1 328.294 3.637 20 30 EHEDMM CC(CCC1CCCC1)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000735986260 598936267 /nfs/dbraw/zinc/93/62/67/598936267.db2.gz QEAOSBUEQSNOMW-UHFFFAOYSA-N -1 1 331.424 3.736 20 30 EHEDMM CCCC[C@H]1CCCC1N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000736441793 598437299 /nfs/dbraw/zinc/43/72/99/598437299.db2.gz UTFABTDXOKWHAK-LBPRGKRZSA-N -1 1 345.451 3.811 20 30 EHEDMM CC(C)Oc1ccccc1[C@@H](C)N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736493392 600594131 /nfs/dbraw/zinc/59/41/31/600594131.db2.gz UDTYPQZRMRIKHB-KUHUBIRLSA-N -1 1 338.407 3.822 20 30 EHEDMM C=CCN(Cc1cc(C(=O)[O-])sc1C)Cc1cccc(C#N)c1 ZINC000825681535 601622854 /nfs/dbraw/zinc/62/28/54/601622854.db2.gz AIBGZQHHHYXNNI-UHFFFAOYSA-N -1 1 326.421 3.815 20 30 EHEDMM C[C@H](C(=O)[O-])n1cccc1CN=Nc1ccc(Cl)cc1Cl ZINC000833405587 605037753 /nfs/dbraw/zinc/03/77/53/605037753.db2.gz FVCVYMATUIKEJM-SECBINFHSA-N -1 1 326.183 3.887 20 30 EHEDMM N#Cc1cccc(C2(N[C@H]3C[C@H](NC(=O)[O-])c4ccccc43)CC2)c1 ZINC000833978693 605810536 /nfs/dbraw/zinc/81/05/36/605810536.db2.gz SQPBFZAVEHNFLO-ROUUACIJSA-N -1 1 333.391 3.591 20 30 EHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)[C@H](C)C2CCCCC2)o1 ZINC000819782631 606165435 /nfs/dbraw/zinc/16/54/35/606165435.db2.gz PLOGYSBELYDISP-NSHDSACASA-N -1 1 345.451 3.982 20 30 EHEDMM Clc1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC000822579197 606369014 /nfs/dbraw/zinc/36/90/14/606369014.db2.gz XGYUWXKQLVYFEF-UHFFFAOYSA-N -1 1 339.211 3.681 20 30 EHEDMM CSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821979820 606389045 /nfs/dbraw/zinc/38/90/45/606389045.db2.gz YRJMQKJWMAZHTI-SOFGYWHQSA-N -1 1 328.422 3.546 20 30 EHEDMM CSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821979877 606392010 /nfs/dbraw/zinc/39/20/10/606392010.db2.gz ZUSPFJLITSWHJI-HWKANZROSA-N -1 1 346.412 3.685 20 30 EHEDMM C#CC[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1 ZINC000823838373 607936203 /nfs/dbraw/zinc/93/62/03/607936203.db2.gz OVTBLQYGMODZRE-MRXNPFEDSA-N -1 1 340.390 3.591 20 30 EHEDMM C#CC[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccc1 ZINC000823838373 607936204 /nfs/dbraw/zinc/93/62/04/607936204.db2.gz OVTBLQYGMODZRE-MRXNPFEDSA-N -1 1 340.390 3.591 20 30 EHEDMM C#CC[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1 ZINC000823838372 607936388 /nfs/dbraw/zinc/93/63/88/607936388.db2.gz OVTBLQYGMODZRE-INIZCTEOSA-N -1 1 340.390 3.591 20 30 EHEDMM C#CC[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccc1 ZINC000823838372 607936389 /nfs/dbraw/zinc/93/63/89/607936389.db2.gz OVTBLQYGMODZRE-INIZCTEOSA-N -1 1 340.390 3.591 20 30 EHEDMM O=C(C=Cc1cccc2ccccc12)c1ccc(-c2nnn[n-]2)s1 ZINC000826400680 608093898 /nfs/dbraw/zinc/09/38/98/608093898.db2.gz FBGAHFLYDLOAKA-CMDGGOBGSA-N -1 1 332.388 3.978 20 30 EHEDMM O=C(C=Cc1cccc2ccccc12)c1ccc(-c2nn[n-]n2)s1 ZINC000826400680 608093899 /nfs/dbraw/zinc/09/38/99/608093899.db2.gz FBGAHFLYDLOAKA-CMDGGOBGSA-N -1 1 332.388 3.978 20 30 EHEDMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc21 ZINC000460826846 1032067193 /nfs/dbraw/zinc/06/71/93/1032067193.db2.gz BMOQIJPYBFWOMB-UHFFFAOYSA-N -1 1 339.420 3.724 20 30 EHEDMM Cc1nn(C(C)(C)C)c(C)c1C=NNc1ccc(C(=O)[O-])cc1F ZINC000835011088 979245232 /nfs/dbraw/zinc/24/52/32/979245232.db2.gz BCTCDWSJCJZLSE-UHFFFAOYSA-N -1 1 332.379 3.538 20 30 EHEDMM CCCCCCOc1cccc(CN2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001595715193 982312945 /nfs/dbraw/zinc/31/29/45/982312945.db2.gz PAZQLSZXTHBFNM-UHFFFAOYSA-N -1 1 344.455 3.836 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1[O-] ZINC000189962056 1016796898 /nfs/dbraw/zinc/79/68/98/1016796898.db2.gz GSPMKSBEHZJUEY-CQSZACIVSA-N -1 1 344.823 3.884 20 30 EHEDMM CN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180373271 1016893840 /nfs/dbraw/zinc/89/38/40/1016893840.db2.gz FFKDAXUIGQHEGR-UHFFFAOYSA-N -1 1 334.297 3.555 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC(c3cccc(F)c3F)CC2)cc1[O-] ZINC000580812737 1020060193 /nfs/dbraw/zinc/06/01/93/1020060193.db2.gz ZOADSPNWBNNSBG-UHFFFAOYSA-N -1 1 342.345 3.562 20 30 EHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427302198 1021291507 /nfs/dbraw/zinc/29/15/07/1021291507.db2.gz OAZFHTKPAWDTHA-UHFFFAOYSA-N -1 1 330.384 3.617 20 30 EHEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc(N2CCCC2=O)cc1 ZINC000255364063 1021523749 /nfs/dbraw/zinc/52/37/49/1021523749.db2.gz RCASUROCPQZMKC-OQFOIZHKSA-N -1 1 325.339 3.554 20 30 EHEDMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1C ZINC000761035728 1033044299 /nfs/dbraw/zinc/04/42/99/1033044299.db2.gz HUASWGBQDIPLCM-LLVKDONJSA-N -1 1 330.771 3.765 20 30 EHEDMM CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C1CCOCC1 ZINC000331271475 1022771544 /nfs/dbraw/zinc/77/15/44/1022771544.db2.gz NKGBWXAZDVPZHI-CYBMUJFWSA-N -1 1 327.808 3.564 20 30 EHEDMM COc1cc(C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)cc(Cl)c1[O-] ZINC000331275171 1022774815 /nfs/dbraw/zinc/77/48/15/1022774815.db2.gz NPOLRTYDNAZKKL-DGCLKSJQSA-N -1 1 327.808 3.562 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2cc(C)n(CC(F)(F)F)c2C)n1 ZINC000048787595 1022789502 /nfs/dbraw/zinc/78/95/02/1022789502.db2.gz HPMOSJKTPRHXHD-LBPRGKRZSA-N -1 1 341.358 3.922 20 30 EHEDMM COc1ccc2occ(C([O-])=C(C#N)c3nc4ccccc4[nH]3)c2c1 ZINC000441999529 1025128631 /nfs/dbraw/zinc/12/86/31/1025128631.db2.gz IRNPDFIBFIDHTN-ZDUSSCGKSA-N -1 1 331.331 3.808 20 30 EHEDMM C=CCN(CCc1ccco1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442806860 1025481275 /nfs/dbraw/zinc/48/12/75/1025481275.db2.gz DIGBTRBXTNQHSO-UHFFFAOYSA-N -1 1 335.787 3.518 20 30 EHEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000160787207 1027193134 /nfs/dbraw/zinc/19/31/34/1027193134.db2.gz AAXAZRKECVVOCG-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc3c2CC(=O)CC3)n1 ZINC000582757096 1027599791 /nfs/dbraw/zinc/59/97/91/1027599791.db2.gz WMWQISOGKVMTIG-INIZCTEOSA-N -1 1 338.432 3.814 20 30 EHEDMM C=CCOc1cccnc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445446941 1028781360 /nfs/dbraw/zinc/78/13/60/1028781360.db2.gz NFKMMQFOHNLWGR-UHFFFAOYSA-N -1 1 329.743 3.722 20 30 EHEDMM CCSCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000525528638 1029887325 /nfs/dbraw/zinc/88/73/25/1029887325.db2.gz YAKDTUZSNBHJPN-UHFFFAOYSA-N -1 1 346.477 3.921 20 30 EHEDMM C[C@]1(Cc2ccccc2F)CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000592830723 1033532809 /nfs/dbraw/zinc/53/28/09/1033532809.db2.gz HQKMBCIQRWDQEZ-HXUWFJFHSA-N -1 1 338.382 3.640 20 30 EHEDMM COc1ccc2c(c1)O/C(=C/c1cc(Cl)c([O-])c(OC)c1)C2=O ZINC000255614095 1033620252 /nfs/dbraw/zinc/62/02/52/1033620252.db2.gz YBJGEAJTJBTRBC-VIZOYTHASA-N -1 1 332.739 3.679 20 30 EHEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1csnc1C ZINC000761092950 1033709661 /nfs/dbraw/zinc/70/96/61/1033709661.db2.gz KOEXAIGHRWJOOX-AWEZNQCLSA-N -1 1 341.436 3.538 20 30 EHEDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(Cl)c1 ZINC000613112136 1035406634 /nfs/dbraw/zinc/40/66/34/1035406634.db2.gz SNRMIBWNHJVZEB-UHFFFAOYSA-N -1 1 338.791 3.768 20 30 EHEDMM CC(C)c1ccc(O[C@H](C)CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000588167394 1035742763 /nfs/dbraw/zinc/74/27/63/1035742763.db2.gz GVNCMJIYVSFWGA-CQSZACIVSA-N -1 1 338.407 3.585 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(Cl)c1 ZINC000463789152 1035834002 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N#Cc1cc([O-])cc(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c1 ZINC000589197824 1036303997 /nfs/dbraw/zinc/30/39/97/1036303997.db2.gz CGOYPTNLPSKWHX-MRXNPFEDSA-N -1 1 348.324 3.557 20 30 EHEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000045571865 1036508943 /nfs/dbraw/zinc/50/89/43/1036508943.db2.gz BWCUMKREOQAMJN-YUMQZZPRSA-N -1 1 330.697 3.869 20 30 EHEDMM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000590739741 1037040995 /nfs/dbraw/zinc/04/09/95/1037040995.db2.gz JOEQSGJPUFBMNX-SNVBAGLBSA-N -1 1 342.873 3.771 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2CCCc2ccccc2)cc1[O-] ZINC000188894534 1037550592 /nfs/dbraw/zinc/55/05/92/1037550592.db2.gz CFPZCJHIJKSOLB-LJQANCHMSA-N -1 1 334.419 3.891 20 30 EHEDMM Cc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)c(OC(C)(C)C)c1 ZINC000443284868 1037635376 /nfs/dbraw/zinc/63/53/76/1037635376.db2.gz PRXKHVRBSJPSBF-UHFFFAOYSA-N -1 1 338.407 3.680 20 30 EHEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(OCc2ccccc2C)c1 ZINC000416965016 1039265397 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N#Cc1cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)ccc1Cl ZINC000194156486 1121787004 /nfs/dbraw/zinc/78/70/04/1121787004.db2.gz GUSCHLFMSMTMAD-UHFFFAOYSA-N -1 1 349.824 3.622 20 30 EHEDMM C=CCOc1ccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cc1OC ZINC000915988877 1122013410 /nfs/dbraw/zinc/01/34/10/1122013410.db2.gz MGNBUWZWGKRUKF-VCHYOVAHSA-N -1 1 338.359 3.890 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cc([N+](=O)[O-])ccc1Cl)O2 ZINC000915989115 1122013587 /nfs/dbraw/zinc/01/35/87/1122013587.db2.gz YHMIQQPBFSBOQJ-MKMNVTDBSA-N -1 1 331.711 3.878 20 30 EHEDMM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1n[n-]c(C(F)(F)F)n1 ZINC000068111222 1122595478 /nfs/dbraw/zinc/59/54/78/1122595478.db2.gz AEDXCWAOYRMFMF-UHFFFAOYSA-N -1 1 343.696 3.789 20 30 EHEDMM COc1ccccc1-c1cc(C(=O)[N-]c2sccc2C#N)no1 ZINC000918143205 1122759368 /nfs/dbraw/zinc/75/93/68/1122759368.db2.gz ZQYNRPUYHOLKCV-UHFFFAOYSA-N -1 1 325.349 3.536 20 30 EHEDMM COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000615476298 1123804359 /nfs/dbraw/zinc/80/43/59/1123804359.db2.gz WGWPDUAYTTUKSN-KRWDZBQOSA-N -1 1 336.391 3.640 20 30 EHEDMM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000618280657 1125041545 /nfs/dbraw/zinc/04/15/45/1125041545.db2.gz ARJQSTLLQDYRBX-MRXNPFEDSA-N -1 1 348.324 3.996 20 30 EHEDMM Cc1cc(N=NC(C)c2cc(Cl)c(Cl)cc2[O-])nc(C)n1 ZINC000766012284 1129748300 /nfs/dbraw/zinc/74/83/00/1129748300.db2.gz VKRXCJJPCZQXHQ-UHFFFAOYSA-N -1 1 325.199 3.942 20 30 EHEDMM CC(N=Nc1ncncc1Cl)c1cc(Cl)c(Cl)cc1[O-] ZINC000766030543 1129849399 /nfs/dbraw/zinc/84/93/99/1129849399.db2.gz VBYSCMZMVXMGKY-UHFFFAOYSA-N -1 1 331.590 3.979 20 30 EHEDMM CC(C)(C)[C@H](C#N)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC001128777635 1130159638 /nfs/dbraw/zinc/15/96/38/1130159638.db2.gz MKBHWIQMUJSUKP-NSHDSACASA-N -1 1 345.187 3.595 20 30 EHEDMM [O-]c1ccc(C=NNc2ccnc3ccccc32)cc1Br ZINC000730147570 1130679020 /nfs/dbraw/zinc/67/90/20/1130679020.db2.gz QYQJYVJTSCASKR-UHFFFAOYSA-N -1 1 342.196 3.571 20 30 EHEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000730996501 1130758850 /nfs/dbraw/zinc/75/88/50/1130758850.db2.gz UAESXSVFSFTTMH-UHFFFAOYSA-N -1 1 337.400 3.653 20 30 EHEDMM [O-]c1ccc(C=NNc2ccc(Cl)nc2)cc1Br ZINC000743450266 1131920970 /nfs/dbraw/zinc/92/09/70/1131920970.db2.gz OGEADXPUBRLYOZ-UHFFFAOYSA-N -1 1 326.581 3.649 20 30 EHEDMM N#Cc1cccc(C2(C(=O)Nc3cc(F)c([O-])cc3Cl)CC2)c1 ZINC001179659868 1133267368 /nfs/dbraw/zinc/26/73/68/1133267368.db2.gz IDECTFIQQWMIMU-UHFFFAOYSA-N -1 1 330.746 3.727 20 30 EHEDMM CC(CCCC(C)C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769811909 1133351039 /nfs/dbraw/zinc/35/10/39/1133351039.db2.gz FQIVXGVUJMHGEK-UHFFFAOYSA-N -1 1 332.452 3.901 20 30 EHEDMM CCCCCCCCS(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000774015780 1133589155 /nfs/dbraw/zinc/58/91/55/1133589155.db2.gz DYMXYJXIVKKNFS-UHFFFAOYSA-N -1 1 339.436 3.745 20 30 EHEDMM CCCCCCCCS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000774015780 1133589161 /nfs/dbraw/zinc/58/91/61/1133589161.db2.gz DYMXYJXIVKKNFS-UHFFFAOYSA-N -1 1 339.436 3.745 20 30 EHEDMM O=C(COCc1cccc(Cl)c1)N([O-])Cc1ccccc1Cl ZINC001184283383 1133923348 /nfs/dbraw/zinc/92/33/48/1133923348.db2.gz HSCAZHMRFKCZJW-UHFFFAOYSA-N -1 1 340.206 3.928 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C/c2ncc(C(F)(F)F)s2)c1 ZINC000788357245 1134116362 /nfs/dbraw/zinc/11/63/62/1134116362.db2.gz WURRYQMEKLGMLB-SNAWJCMRSA-N -1 1 329.299 3.772 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc(C(C)=O)c1O ZINC001188018049 1134416790 /nfs/dbraw/zinc/41/67/90/1134416790.db2.gz RIIDDOMNMNFCCZ-UHFFFAOYSA-N -1 1 327.446 3.697 20 30 EHEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1csc(-c2ccncc2)n1 ZINC001190341361 1134685425 /nfs/dbraw/zinc/68/54/25/1134685425.db2.gz HOYCLWOAGMDFAQ-UHFFFAOYSA-N -1 1 342.330 3.607 20 30 EHEDMM C=CCC1(S(=O)(=O)[N-]c2ccc(F)c(F)c2OCCCC)CC1 ZINC001190813284 1134760074 /nfs/dbraw/zinc/76/00/74/1134760074.db2.gz FGCKMSJJIILPCJ-UHFFFAOYSA-N -1 1 345.411 3.994 20 30 EHEDMM C=CCC1(S(=O)(=O)[N-]c2cccc3c2C(=O)c2ccccc2-3)CC1 ZINC001190813818 1134760458 /nfs/dbraw/zinc/76/04/58/1134760458.db2.gz STINIACARYWQJD-UHFFFAOYSA-N -1 1 339.416 3.748 20 30 EHEDMM C=CCC1(S(=O)(=O)[N-]c2cccc(OC)c2C(F)(F)F)CC1 ZINC001190813680 1134761127 /nfs/dbraw/zinc/76/11/27/1134761127.db2.gz NEEDUOHADQKDAS-UHFFFAOYSA-N -1 1 335.347 3.564 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c2ccccc12 ZINC001193857017 1135196777 /nfs/dbraw/zinc/19/67/77/1135196777.db2.gz KKIGXAMBUIRLOM-UHFFFAOYSA-N -1 1 340.379 3.960 20 30 EHEDMM CC(C)OC(=O)c1ncccc1C(=O)[N-]c1c(C#N)oc2ccccc21 ZINC001194021215 1135216223 /nfs/dbraw/zinc/21/62/23/1135216223.db2.gz AAPGGXJNTRQEAR-UHFFFAOYSA-N -1 1 349.346 3.517 20 30 EHEDMM Cn1cccc1-c1cc(C(=O)[N-]c2c(F)cc(C#N)cc2Cl)no1 ZINC001195999408 1135501470 /nfs/dbraw/zinc/50/14/70/1135501470.db2.gz OHPGBAQCJYTWPX-UHFFFAOYSA-N -1 1 344.733 3.597 20 30 EHEDMM CC(C)(C)[C@@H]1CCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000807971354 1135594180 /nfs/dbraw/zinc/59/41/80/1135594180.db2.gz RTWOFJMXWJBVPY-LLVKDONJSA-N -1 1 330.436 3.511 20 30 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CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000026547728 1121664252 /nfs/dbraw/zinc/66/42/52/1121664252.db2.gz ZOMAGZKJMCNUIE-UHFFFAOYSA-N -1 1 336.363 3.567 20 30 EHEDMM O=[N+]([O-])c1cccc(NN=Cc2ccc([O-])c(Br)c2)c1 ZINC000916268885 1122113247 /nfs/dbraw/zinc/11/32/47/1122113247.db2.gz CQZOPYRLJBPVPA-UHFFFAOYSA-N -1 1 336.145 3.509 20 30 EHEDMM COc1cccc(CN(CC(C)C)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000615476260 1123804370 /nfs/dbraw/zinc/80/43/70/1123804370.db2.gz GENIUNVNWUQXMJ-UHFFFAOYSA-N -1 1 338.407 3.571 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1 ZINC000617783483 1124774218 /nfs/dbraw/zinc/77/42/18/1124774218.db2.gz WJNOWYSQFWCYBV-UHFFFAOYSA-N -1 1 339.351 3.779 20 30 EHEDMM CCCc1cc(=O)[n-]c(SCc2cc(Cl)ccc2OCC#N)n1 ZINC000735231395 1131319064 /nfs/dbraw/zinc/31/90/64/1131319064.db2.gz VFZPWELYRAIUBO-UHFFFAOYSA-N -1 1 349.843 3.983 20 30 EHEDMM CC(C)COc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461959 1125350399 /nfs/dbraw/zinc/35/03/99/1125350399.db2.gz 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ZINC000734296708 1131216871 /nfs/dbraw/zinc/21/68/71/1131216871.db2.gz UKKCQFMFFQADAR-UHFFFAOYSA-N -1 1 326.331 3.644 20 30 EHEDMM COc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768883954 1133196410 /nfs/dbraw/zinc/19/64/10/1133196410.db2.gz OQYMRLVXAKZCAI-FPLPWBNLSA-N -1 1 348.811 3.633 20 30 EHEDMM C=CC[S@@](=O)(=NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001180150584 1133339336 /nfs/dbraw/zinc/33/93/36/1133339336.db2.gz KFCYGQOPMCSOAA-QHCPKHFHSA-N -1 1 349.839 3.828 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C)ccc1Cl ZINC001185525097 1134103064 /nfs/dbraw/zinc/10/30/64/1134103064.db2.gz PRHVFCZIQSZJAW-UHFFFAOYSA-N -1 1 334.828 3.938 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC001188012988 1134415850 /nfs/dbraw/zinc/41/58/50/1134415850.db2.gz MSZPSRFZOWSBFU-UHFFFAOYSA-N -1 1 329.462 3.806 20 30 EHEDMM C#Cc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)ccc1F ZINC001189386531 1134578444 /nfs/dbraw/zinc/57/84/44/1134578444.db2.gz ZVCAELBUMPDMSK-UHFFFAOYSA-N -1 1 343.354 3.900 20 30 EHEDMM Cc1noc(-c2ccccc2)c1NC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001190372854 1134693531 /nfs/dbraw/zinc/69/35/31/1134693531.db2.gz FHSCORPTCAGBND-UHFFFAOYSA-N -1 1 334.335 3.871 20 30 EHEDMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1 ZINC001191248848 1134836255 /nfs/dbraw/zinc/83/62/55/1134836255.db2.gz KVZLDMMZQLKEQR-UHFFFAOYSA-N -1 1 332.400 3.841 20 30 EHEDMM CCc1cc(NC(=O)c2cc([O-])cc(F)c2F)cc(CC)c1C#N ZINC001192670197 1135043703 /nfs/dbraw/zinc/04/37/03/1135043703.db2.gz FNNAPEIPBMVCNM-UHFFFAOYSA-N -1 1 330.334 3.919 20 30 EHEDMM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cccc(C#N)c1O ZINC001193635193 1135162405 /nfs/dbraw/zinc/16/24/05/1135162405.db2.gz QDKXVGVXIAANNJ-UHFFFAOYSA-N -1 1 345.449 3.663 20 30 EHEDMM CCCCCCCCCCS(=O)(=O)[N-]c1cn(C)nc1C(C)=O ZINC001201833839 1136068436 /nfs/dbraw/zinc/06/84/36/1136068436.db2.gz FEJKKCIVIXSZTA-UHFFFAOYSA-N -1 1 343.493 3.505 20 30 EHEDMM C=CC(C)(C)C(=O)O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851179763 1136347148 /nfs/dbraw/zinc/34/71/48/1136347148.db2.gz WMQHYJZZZOXLKO-OLZOCXBDSA-N -1 1 341.329 3.606 20 30 EHEDMM Cc1cc(=O)[n-]c(N=NC2CC(c3ccc(Br)cc3)C2)n1 ZINC000814681563 1136490012 /nfs/dbraw/zinc/49/00/12/1136490012.db2.gz RKRDDVFEZGLAHI-UHFFFAOYSA-N -1 1 347.216 3.599 20 30 EHEDMM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000814711773 1136496869 /nfs/dbraw/zinc/49/68/69/1136496869.db2.gz VLTLHYDYCZBORT-UHFFFAOYSA-N -1 1 337.301 3.861 20 30 EHEDMM CC(=NNc1ncccc1C(F)(F)F)c1csc(C(=O)[O-])c1 ZINC000814801371 1136506631 /nfs/dbraw/zinc/50/66/31/1136506631.db2.gz IDTLCHQPJCNTIL-UHFFFAOYSA-N -1 1 329.303 3.696 20 30 EHEDMM CCCCCCCC[C@@H](C)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854341973 1136609084 /nfs/dbraw/zinc/60/90/84/1136609084.db2.gz CBDKWEXJXMVOLU-CQSZACIVSA-N -1 1 337.464 3.868 20 30 EHEDMM O=C(Nc1cccc(/C=C2/Oc3cc([O-])ccc3C2=O)c1)C(F)(F)F ZINC000011332962 1136826908 /nfs/dbraw/zinc/82/69/08/1136826908.db2.gz WKQLQLABRJUOJB-VGOFMYFVSA-N -1 1 349.264 3.509 20 30 EHEDMM O=C1c2ccc(F)cc2OC/C1=C/c1ccc([O-])c(Br)c1 ZINC000794729195 1137241787 /nfs/dbraw/zinc/24/17/87/1137241787.db2.gz ZGOKRIXPYXYKRV-YHYXMXQVSA-N -1 1 349.155 3.953 20 30 EHEDMM COCCOCc1cccc(N[C@@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866314640 1137344890 /nfs/dbraw/zinc/34/48/90/1137344890.db2.gz BUFIXULTKNFWTP-AWEZNQCLSA-N -1 1 326.396 3.600 20 30 EHEDMM COCCc1nc2cc(N[C@@H](C)c3cccc(C#N)c3[O-])ccc2o1 ZINC000866321481 1137345485 /nfs/dbraw/zinc/34/54/85/1137345485.db2.gz RMLVSEFEEBHXRT-LBPRGKRZSA-N -1 1 337.379 3.767 20 30 EHEDMM Cc1c(N[C@@H](C)c2cccc(C#N)c2[O-])cccc1C(=O)N1CCCC1 ZINC000866330210 1137346229 /nfs/dbraw/zinc/34/62/29/1137346229.db2.gz CTAMPJGZFDWJMC-HNNXBMFYSA-N -1 1 349.434 3.981 20 30 EHEDMM C=CCCCCCCCCC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001144798131 1137349471 /nfs/dbraw/zinc/34/94/71/1137349471.db2.gz CAUQYRVAPRFPTM-UHFFFAOYSA-N -1 1 333.428 3.704 20 30 EHEDMM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001148260336 1137420966 /nfs/dbraw/zinc/42/09/66/1137420966.db2.gz DYDUQSQMIFMLKW-INIZCTEOSA-N -1 1 346.814 3.608 20 30 EHEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2nc(C(C)(C)C)cs2)c1 ZINC000870137135 1137478651 /nfs/dbraw/zinc/47/86/51/1137478651.db2.gz QJTXUJZCTRJJDM-CYBMUJFWSA-N -1 1 341.436 3.710 20 30 EHEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NC2CC[C@@H]3C[C@@H]32)cc1 ZINC000872348425 1137578758 /nfs/dbraw/zinc/57/87/58/1137578758.db2.gz GTUPWURJKOGONM-DYVFJYSZSA-N -1 1 341.436 3.685 20 30 EHEDMM CCOc1cc(C(=O)N(CCC#N)Cc2ccco2)cc(Cl)c1[O-] ZINC000186725270 1140219210 /nfs/dbraw/zinc/21/92/10/1140219210.db2.gz KAPJRCHFLNZJQG-UHFFFAOYSA-N -1 1 348.786 3.593 20 30 EHEDMM C[C@@H](CN(Cc1cn2ccccc2c1C#N)Cc1ccccc1)C(=O)[O-] ZINC000736581647 599713688 /nfs/dbraw/zinc/71/36/88/599713688.db2.gz BZJZQMNUKYWUPG-INIZCTEOSA-N -1 1 347.418 3.534 20 30 EHEDMM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1Cl ZINC000827718792 601305654 /nfs/dbraw/zinc/30/56/54/601305654.db2.gz YCGKKOIACAMEPJ-QFYYESIMSA-N -1 1 332.762 3.827 20 30 EHEDMM CC(N=Nc1ccc(C(=O)[O-])cn1)c1cc(Cl)sc1Cl ZINC000763369028 604666876 /nfs/dbraw/zinc/66/68/76/604666876.db2.gz SKCSKPGMDIJZJD-UHFFFAOYSA-N -1 1 330.196 3.984 20 30 EHEDMM N#CC(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc2ccccc2s1 ZINC000833063884 604879801 /nfs/dbraw/zinc/87/98/01/604879801.db2.gz MSWVTDSYJIUUJS-NSHDSACASA-N -1 1 340.335 3.624 20 30 EHEDMM CCCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821128183 606388914 /nfs/dbraw/zinc/38/89/14/606388914.db2.gz QXVVTLPWFOMNHD-CLFYSBASSA-N -1 1 340.408 3.613 20 30 EHEDMM CC(C)CCCC(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000820242504 606988655 /nfs/dbraw/zinc/98/86/55/606988655.db2.gz NRCXKHDBGJATKV-UHFFFAOYSA-N -1 1 333.440 3.667 20 30 EHEDMM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1Cl ZINC000826266609 609507198 /nfs/dbraw/zinc/50/71/98/609507198.db2.gz VMSBBRCCZXKKBA-HYXAFXHYSA-N -1 1 330.800 3.786 20 30 EHEDMM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1Cl ZINC000826266609 609507199 /nfs/dbraw/zinc/50/71/99/609507199.db2.gz VMSBBRCCZXKKBA-HYXAFXHYSA-N -1 1 330.800 3.786 20 30 EHEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(O)c(Cl)c1 ZINC000768784934 978739962 /nfs/dbraw/zinc/73/99/62/978739962.db2.gz WHCHHMSVQSXFEK-UHFFFAOYSA-N -1 1 334.759 3.589 20 30 EHEDMM CC[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(F)ccc1OC ZINC001595276393 980300076 /nfs/dbraw/zinc/30/00/76/980300076.db2.gz GBNMTZATMBEQLT-SJLPKXTDSA-N -1 1 342.370 3.573 20 30 EHEDMM CC[C@](C)(NCc1cccc(C(=O)[O-])c1C#N)c1ccc(F)cc1 ZINC001594852839 982100195 /nfs/dbraw/zinc/10/01/95/982100195.db2.gz VIVBFFCFCYRKHO-IBGZPJMESA-N -1 1 326.371 3.811 20 30 EHEDMM C=CC[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1ccncc1 ZINC001588746371 984058219 /nfs/dbraw/zinc/05/82/19/984058219.db2.gz SBIOKMVHZMKBPD-WMLDXEAASA-N -1 1 326.396 3.513 20 30 EHEDMM C[C@H](NC(=O)c1cc(Br)ccc1[O-])c1cccc(C#N)c1 ZINC000610366824 1018532717 /nfs/dbraw/zinc/53/27/17/1018532717.db2.gz ZHMQAEKYETVYFI-JTQLQIEISA-N -1 1 345.196 3.517 20 30 EHEDMM O=C(c1ccccc1)c1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255201740 1019263917 /nfs/dbraw/zinc/26/39/17/1019263917.db2.gz XUWQMJBGOGPPDW-UHFFFAOYSA-N -1 1 333.343 3.785 20 30 EHEDMM N#Cc1cc(F)cc(C2(c3nc(-c4ccc([O-])c(F)c4)no3)CC2)c1 ZINC000436877094 1021322245 /nfs/dbraw/zinc/32/22/45/1021322245.db2.gz DLPRIIGUULNVRY-UHFFFAOYSA-N -1 1 339.301 3.672 20 30 EHEDMM CC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C1CCOCC1 ZINC000331271476 1022771403 /nfs/dbraw/zinc/77/14/03/1022771403.db2.gz NKGBWXAZDVPZHI-ZDUSSCGKSA-N -1 1 327.808 3.564 20 30 EHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000438761598 1022977467 /nfs/dbraw/zinc/97/74/67/1022977467.db2.gz BTVHXIDVSPNCOK-UHFFFAOYSA-N -1 1 347.415 3.629 20 30 EHEDMM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(C#N)c([O-])c2)C2CC2)o1 ZINC000190470464 1024665035 /nfs/dbraw/zinc/66/50/35/1024665035.db2.gz KIBWQKXBNKMMAP-PXAZEXFGSA-N -1 1 336.391 3.785 20 30 EHEDMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435726908 1025108813 /nfs/dbraw/zinc/10/88/13/1025108813.db2.gz CFWQTBBMBAIJQR-UHFFFAOYSA-N -1 1 332.450 3.531 20 30 EHEDMM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1C#N ZINC000442248319 1025225258 /nfs/dbraw/zinc/22/52/58/1025225258.db2.gz GXUPBSRADVSLES-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000135000806 1025520456 /nfs/dbraw/zinc/52/04/56/1025520456.db2.gz GDRLBCHJYXAGDF-UHFFFAOYSA-N -1 1 333.771 3.871 20 30 EHEDMM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442983109 1025644720 /nfs/dbraw/zinc/64/47/20/1025644720.db2.gz NFFMCRFJSSUVCP-KRWDZBQOSA-N -1 1 333.391 3.556 20 30 EHEDMM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443053391 1025691374 /nfs/dbraw/zinc/69/13/74/1025691374.db2.gz BHUSHJIRTZWQBW-SNVBAGLBSA-N -1 1 349.217 3.932 20 30 EHEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cnc2c(c1)CCCC2 ZINC000329289857 1025721787 /nfs/dbraw/zinc/72/17/87/1025721787.db2.gz AIRTUUOHOUMJQZ-UHFFFAOYSA-N -1 1 340.427 3.698 20 30 EHEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451392245 1025915965 /nfs/dbraw/zinc/91/59/65/1025915965.db2.gz LLFZUQXNLAWDOM-VIFPVBQESA-N -1 1 328.846 3.525 20 30 EHEDMM CCO[C@H](C)c1ncc(C(=O)[N-]c2ncn(C3CCCCC3)n2)s1 ZINC000329557975 1026000081 /nfs/dbraw/zinc/00/00/81/1026000081.db2.gz LJVMIIPRUSAALC-LLVKDONJSA-N -1 1 349.460 3.974 20 30 EHEDMM CC#CCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444349326 1026614663 /nfs/dbraw/zinc/61/46/63/1026614663.db2.gz DOLPSTGYUTWSRA-UHFFFAOYSA-N -1 1 342.439 3.587 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(-c3n[nH]c(C4CC4)n3)cc2)n1 ZINC000152967331 1026901848 /nfs/dbraw/zinc/90/18/48/1026901848.db2.gz IWAZOCZERLUYCE-CQSZACIVSA-N -1 1 349.419 3.604 20 30 EHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000178693827 1028100735 /nfs/dbraw/zinc/10/07/35/1028100735.db2.gz PJFCXEXAHTXVAH-UHFFFAOYSA-N -1 1 338.388 3.526 20 30 EHEDMM N#CCCCOc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000343071492 1028964582 /nfs/dbraw/zinc/96/45/82/1028964582.db2.gz AXSDWHKMPWHKAC-UHFFFAOYSA-N -1 1 332.306 3.605 20 30 EHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780379397 1030499229 /nfs/dbraw/zinc/49/92/29/1030499229.db2.gz HLJMAVFWQOLDRQ-UHFFFAOYSA-N -1 1 339.363 3.990 20 30 EHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3nsnc3c2)s1 ZINC000583908464 1031112281 /nfs/dbraw/zinc/11/22/81/1031112281.db2.gz GMRITLRNSMBYGA-JTQLQIEISA-N -1 1 342.449 3.935 20 30 EHEDMM COc1cc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)sn1 ZINC000598682866 1033381840 /nfs/dbraw/zinc/38/18/40/1033381840.db2.gz CCUMEOAOOOTHNX-JTQLQIEISA-N -1 1 333.438 3.798 20 30 EHEDMM N#Cc1ccc(C2(NC(=O)Cc3ccc([O-])c(Cl)c3)CCC2)cc1 ZINC000601662301 1034669083 /nfs/dbraw/zinc/66/90/83/1034669083.db2.gz INFFZRFRGKDGKE-UHFFFAOYSA-N -1 1 340.810 3.655 20 30 EHEDMM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475785143 1035806062 /nfs/dbraw/zinc/80/60/62/1035806062.db2.gz CHRVFIKMDDAALB-UHFFFAOYSA-N -1 1 328.437 3.678 20 30 EHEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc([O-])c(F)c3)cn2)cc1 ZINC000613446071 1035917087 /nfs/dbraw/zinc/91/70/87/1035917087.db2.gz GIWUAMMNAITVQI-UHFFFAOYSA-N -1 1 349.321 3.843 20 30 EHEDMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000057123702 1036696607 /nfs/dbraw/zinc/69/66/07/1036696607.db2.gz MADNNAMZRVQTJJ-ZDUSSCGKSA-N -1 1 330.409 3.536 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)cc1[O-] ZINC000442974068 1036769534 /nfs/dbraw/zinc/76/95/34/1036769534.db2.gz OXXWZNPDZOBKGF-AWEZNQCLSA-N -1 1 347.201 3.988 20 30 EHEDMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1Cl ZINC000181198048 1037451591 /nfs/dbraw/zinc/45/15/91/1037451591.db2.gz BRPUDCKDEVYXOU-UHFFFAOYSA-N -1 1 348.811 3.524 20 30 EHEDMM CC[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1cccc(Cl)c1 ZINC000443279410 1037574083 /nfs/dbraw/zinc/57/40/83/1037574083.db2.gz TUEBDQZFOBESSP-HNNXBMFYSA-N -1 1 344.798 3.505 20 30 EHEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)c1ccccc1n2CC ZINC000462083723 1038742031 /nfs/dbraw/zinc/74/20/31/1038742031.db2.gz LXSKPWYCBGGCMQ-CQSZACIVSA-N -1 1 341.436 3.858 20 30 EHEDMM C=CCC(=C([O-])Nc1nc(-c2ccsc2)ns1)c1ccccc1 ZINC000488333632 1039093019 /nfs/dbraw/zinc/09/30/19/1039093019.db2.gz OUTVRYOWAHKDJZ-AWEZNQCLSA-N -1 1 341.461 3.987 20 30 EHEDMM CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000600477417 1041261322 /nfs/dbraw/zinc/26/13/22/1041261322.db2.gz VWADTNFWBQMCGY-GOSISDBHSA-N -1 1 338.382 3.811 20 30 EHEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(-c3ccccc3)cs2)c(=O)o1 ZINC000125781142 1042700860 /nfs/dbraw/zinc/70/08/60/1042700860.db2.gz YADAJYGLFWQINV-ZEVQVBBLSA-N -1 1 338.384 3.643 20 30 EHEDMM N#C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000040216610 1042720122 /nfs/dbraw/zinc/72/01/22/1042720122.db2.gz CEJUGOYWCHJQCV-AWEZNQCLSA-N -1 1 341.219 3.537 20 30 EHEDMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(N[C@H]2CC[C@H](C#N)CC2)cc1 ZINC001167847509 1043314983 /nfs/dbraw/zinc/31/49/83/1043314983.db2.gz LPRWUPFPHSSHHL-OBJOEFQTSA-N -1 1 339.361 3.920 20 30 EHEDMM CC(=NNc1ccc(C(=O)[O-])cc1)c1nc(-c2ccccc2)[nH]c1C ZINC000915109989 1121192266 /nfs/dbraw/zinc/19/22/66/1121192266.db2.gz KRPMVFPJJCNHKR-UHFFFAOYSA-N -1 1 334.379 3.919 20 30 EHEDMM CC(=NNc1ccc(C(=O)[O-])cc1)c1[nH]c(-c2ccccc2)nc1C ZINC000915109989 1121192269 /nfs/dbraw/zinc/19/22/69/1121192269.db2.gz KRPMVFPJJCNHKR-UHFFFAOYSA-N -1 1 334.379 3.919 20 30 EHEDMM CCCCCCC[C@H](C)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000917999976 1122729415 /nfs/dbraw/zinc/72/94/15/1122729415.db2.gz FCKMUQNGVDEAHX-AWEZNQCLSA-N -1 1 329.444 3.650 20 30 EHEDMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc21 ZINC000078239448 1129119793 /nfs/dbraw/zinc/11/97/93/1129119793.db2.gz RWCVXLVXERYUHV-UHFFFAOYSA-N -1 1 345.811 3.504 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c(F)c1 ZINC000610055966 1123723830 /nfs/dbraw/zinc/72/38/30/1123723830.db2.gz CCLOUOUBOJIGCT-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc21 ZINC000172888455 1130166344 /nfs/dbraw/zinc/16/63/44/1130166344.db2.gz QGJQQMZHMGCRIF-UHFFFAOYSA-N -1 1 345.811 3.504 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cc(Cl)c3c(c1)OCCO3)O2 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/nfs/dbraw/zinc/34/99/63/1133349963.db2.gz GYZJOIWCHLEMBX-LLVKDONJSA-N -1 1 332.452 3.901 20 30 EHEDMM CCCCCCCC[C@@H](CO)NC(=O)c1c([O-])cccc1Cl ZINC001180480805 1133374891 /nfs/dbraw/zinc/37/48/91/1133374891.db2.gz OQMPMRZSBWLILL-ZDUSSCGKSA-N -1 1 327.852 3.887 20 30 EHEDMM O=C1c2ccc(Br)cc2OC/C1=C\c1ccc([O-])c(F)c1 ZINC000774561682 1133753455 /nfs/dbraw/zinc/75/34/55/1133753455.db2.gz ZBJNJTYGVCXIEU-BJMVGYQFSA-N -1 1 349.155 3.953 20 30 EHEDMM [O-]c1ccc(Cl)c(F)c1CN=Nc1nnc(-c2ccccn2)s1 ZINC000790175003 1134378115 /nfs/dbraw/zinc/37/81/15/1134378115.db2.gz VKYFNXSIVCPQKL-UHFFFAOYSA-N -1 1 349.778 3.544 20 30 EHEDMM Cc1sc([N-]C(=O)c2nc(Br)cs2)c(C#N)c1C ZINC000792527998 1134693184 /nfs/dbraw/zinc/69/31/84/1134693184.db2.gz UHLCPJYAHJGVTM-UHFFFAOYSA-N -1 1 342.243 3.708 20 30 EHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3occc3c2)ccc1Cl ZINC001198861875 1135862144 /nfs/dbraw/zinc/86/21/44/1135862144.db2.gz MIHNFKUYKVGLHC-UHFFFAOYSA-N -1 1 332.768 3.759 20 30 EHEDMM CCc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201323057 1136007553 /nfs/dbraw/zinc/00/75/53/1136007553.db2.gz YHCQKZBVLOJZFJ-UHFFFAOYSA-N -1 1 334.828 3.883 20 30 EHEDMM COc1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)cc1[N+](=O)[O-] ZINC000106586776 1136131547 /nfs/dbraw/zinc/13/15/47/1136131547.db2.gz KEHUYKLFKVSIJK-JYRVWZFOSA-N -1 1 325.320 3.522 20 30 EHEDMM N#Cc1c([O-])csc1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001202403925 1136143271 /nfs/dbraw/zinc/14/32/71/1136143271.db2.gz NNNWEUAGBMJNLQ-UHFFFAOYSA-N -1 1 327.287 3.988 20 30 EHEDMM N#Cc1ccc(NCc2cccc(Br)c2[O-])cc1[N+](=O)[O-] ZINC000811840439 1136144098 /nfs/dbraw/zinc/14/40/98/1136144098.db2.gz YNJOQSFLJICKFD-UHFFFAOYSA-N -1 1 348.156 3.547 20 30 EHEDMM N#CC1(c2ccccc2)CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144541985 1137307066 /nfs/dbraw/zinc/30/70/66/1137307066.db2.gz OIBKORDHCYTRLX-UHFFFAOYSA-N -1 1 328.362 3.728 20 30 EHEDMM N#Cc1sc(-c2ccc(F)cc2)cc1[N-]C(=O)c1csnn1 ZINC001146811125 1137394641 /nfs/dbraw/zinc/39/46/41/1137394641.db2.gz PAYZDZRKSJOZHV-UHFFFAOYSA-N -1 1 330.369 3.530 20 30 EHEDMM C=CCC1(C=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CCCC1 ZINC000872351259 1137578846 /nfs/dbraw/zinc/57/88/46/1137578846.db2.gz AWRSLBMVPNWEIZ-UHFFFAOYSA-N -1 1 342.447 3.821 20 30 EHEDMM C[C@@H](NN=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1)c1ccncc1 ZINC000872381909 1137579119 /nfs/dbraw/zinc/57/91/19/1137579119.db2.gz DBROAGWENPHNBM-LLVKDONJSA-N -1 1 347.444 3.570 20 30 EHEDMM C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877843246 1137693010 /nfs/dbraw/zinc/69/30/10/1137693010.db2.gz KDNUAGPGHHKLIF-INIZCTEOSA-N -1 1 332.762 3.937 20 30 EHEDMM C=CC(C)(C)CC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000880227305 1137771490 /nfs/dbraw/zinc/77/14/90/1137771490.db2.gz JYJLWAGKUASPGK-UHFFFAOYSA-N -1 1 342.361 3.714 20 30 EHEDMM C=CCCC(=O)Nc1nc(C)c(-c2n[n-]c(=S)n2C2CC2)s1 ZINC000104281530 1137878152 /nfs/dbraw/zinc/87/81/52/1137878152.db2.gz CTCOCYLGHSXHCD-UHFFFAOYSA-N -1 1 335.458 3.612 20 30 EHEDMM CCOc1nc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)co1 ZINC001274492420 1141140198 /nfs/dbraw/zinc/14/01/98/1141140198.db2.gz NPIBBVHNHJZHAB-NXEZZACHSA-N -1 1 345.424 3.945 20 30 EHEDMM O=C([O-])c1ccc(-c2ccc(CN=Nc3ccc(F)cn3)o2)cc1 ZINC000738678584 599969163 /nfs/dbraw/zinc/96/91/63/599969163.db2.gz KZIDICVUCYRSFK-UHFFFAOYSA-N -1 1 325.299 3.625 20 30 EHEDMM C=CCOc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736113736 600436422 /nfs/dbraw/zinc/43/64/22/600436422.db2.gz CBCQHGOJMMRYBR-QGZVFWFLSA-N -1 1 331.799 3.820 20 30 EHEDMM CC(C)CCCC(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820241625 606988895 /nfs/dbraw/zinc/98/88/95/606988895.db2.gz IGZPHSQDUOBJHU-UHFFFAOYSA-N -1 1 333.440 3.766 20 30 EHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)c(F)c1 ZINC000826399591 608229394 /nfs/dbraw/zinc/22/93/94/608229394.db2.gz AAUMSFSPUNERHO-DJWKRKHSSA-N -1 1 334.763 3.617 20 30 EHEDMM C#CCCCCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000823841295 609600811 /nfs/dbraw/zinc/60/08/11/609600811.db2.gz KWLRMUOAYVKWKY-UHFFFAOYSA-N -1 1 345.472 3.748 20 30 EHEDMM C#CCCCCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000823841295 609600813 /nfs/dbraw/zinc/60/08/13/609600813.db2.gz KWLRMUOAYVKWKY-UHFFFAOYSA-N -1 1 345.472 3.748 20 30 EHEDMM CC(N=Nc1ccccc1C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000767360877 978736894 /nfs/dbraw/zinc/73/68/94/978736894.db2.gz MXNNJUQFZNPLGN-UHFFFAOYSA-N -1 1 329.303 3.696 20 30 EHEDMM CC[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cc(F)ccc1F ZINC001595276030 980298507 /nfs/dbraw/zinc/29/85/07/980298507.db2.gz AYCHIAXJBXASHB-DLBZAZTESA-N -1 1 330.334 3.703 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2cnc(N(C)C)c(Cl)c2)n1 ZINC000654982455 1014724751 /nfs/dbraw/zinc/72/47/51/1014724751.db2.gz LXOWOMNEDJMOFC-LLVKDONJSA-N -1 1 348.859 3.871 20 30 EHEDMM C=C(C)[C@@H](NCc1cc(C(=O)[O-])c(C)n1C)c1ccc(F)c(F)c1 ZINC001588536248 983592979 /nfs/dbraw/zinc/59/29/79/983592979.db2.gz WJTOHRZOCDTPCC-QGZVFWFLSA-N -1 1 334.366 3.717 20 30 EHEDMM CC(=NNc1cccc(F)c1C(=O)[O-])c1ccnn1-c1ccccc1 ZINC001589017654 985006402 /nfs/dbraw/zinc/00/64/02/985006402.db2.gz XLYUEXZDRWJCGD-UHFFFAOYSA-N -1 1 338.342 3.546 20 30 EHEDMM CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189007827 1016412015 /nfs/dbraw/zinc/41/20/15/1016412015.db2.gz CHLNJQYSOUZKAG-HNNXBMFYSA-N -1 1 326.421 3.565 20 30 EHEDMM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000189848090 1016742269 /nfs/dbraw/zinc/74/22/69/1016742269.db2.gz YXBXSTLEJFIJMJ-UHFFFAOYSA-N -1 1 335.190 3.843 20 30 EHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)c1 ZINC000589652341 1016811194 /nfs/dbraw/zinc/81/11/94/1016811194.db2.gz ISXOHRXLYFKDLL-UHFFFAOYSA-N -1 1 326.421 3.821 20 30 EHEDMM COc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000592975884 1032620645 /nfs/dbraw/zinc/62/06/45/1032620645.db2.gz XFQIIROIHIDNRV-CYBMUJFWSA-N -1 1 326.352 3.934 20 30 EHEDMM N#Cc1ccc(NCc2cccc(Br)c2[O-])c([N+](=O)[O-])c1 ZINC000096600956 1020497474 /nfs/dbraw/zinc/49/74/74/1020497474.db2.gz MDQICMJCOJRHLG-UHFFFAOYSA-N -1 1 348.156 3.547 20 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JPJCRMBTENSGNE-LLVKDONJSA-N -1 1 346.268 3.574 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCc3c(Cl)c(Cl)ccc3C2)cc1[O-] ZINC000442961941 1025624483 /nfs/dbraw/zinc/62/44/83/1025624483.db2.gz DDSRXCJFDJJLKY-UHFFFAOYSA-N -1 1 347.201 3.769 20 30 EHEDMM N#Cc1ccc(C(=O)NCCCOc2ccc3ccccc3c2)cc1[O-] ZINC000443061198 1025679086 /nfs/dbraw/zinc/67/90/86/1025679086.db2.gz IERPVFKNUKKJLT-UHFFFAOYSA-N -1 1 346.386 3.616 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)cc1[O-] ZINC000443064029 1025681865 /nfs/dbraw/zinc/68/18/65/1025681865.db2.gz OLFFNIPWLOVOED-HXUWFJFHSA-N -1 1 346.361 3.922 20 30 EHEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)c1cccc(Cl)c1F ZINC000443118589 1025736822 /nfs/dbraw/zinc/73/68/22/1025736822.db2.gz PYKHPVDPPKJRDK-UHFFFAOYSA-N -1 1 346.789 3.764 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)cc1[O-] ZINC000443296990 1025891252 /nfs/dbraw/zinc/89/12/52/1025891252.db2.gz DUQPTVCTHRMKSB-AWEZNQCLSA-N -1 1 326.318 3.505 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1Cl ZINC000033602976 1027840932 /nfs/dbraw/zinc/84/09/32/1027840932.db2.gz ZAMYEFRQBYYVRN-UHFFFAOYSA-N -1 1 327.192 3.666 20 30 EHEDMM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000272351976 1029429484 /nfs/dbraw/zinc/42/94/84/1029429484.db2.gz DENWQORFMQAUPI-NSHDSACASA-N -1 1 341.285 3.662 20 30 EHEDMM COCc1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000114619263 1029548026 /nfs/dbraw/zinc/54/80/26/1029548026.db2.gz BAHIVKDJCVZSRL-INIZCTEOSA-N -1 1 349.415 3.842 20 30 EHEDMM C[C@@]1(Cc2ccccc2F)CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000592830722 1033532149 /nfs/dbraw/zinc/53/21/49/1033532149.db2.gz HQKMBCIQRWDQEZ-FQEVSTJZSA-N -1 1 338.382 3.640 20 30 EHEDMM CCc1cc(=O)[n-]c(SCc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000594894102 1033533554 /nfs/dbraw/zinc/53/35/54/1033533554.db2.gz CVVBCTDFXSQVOM-UHFFFAOYSA-N -1 1 339.342 3.927 20 30 EHEDMM CCc1c(C)sc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])c1C#N ZINC001125780503 1033808363 /nfs/dbraw/zinc/80/83/63/1033808363.db2.gz TZUMXNNNJYHNJE-UHFFFAOYSA-N -1 1 333.344 3.790 20 30 EHEDMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1 ZINC000603969994 1034082912 /nfs/dbraw/zinc/08/29/12/1034082912.db2.gz NXRJCHSDZMYPRW-UHFFFAOYSA-N -1 1 344.436 3.784 20 30 EHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000188606427 1035354817 /nfs/dbraw/zinc/35/48/17/1035354817.db2.gz LWSBMOJNNAUJOX-AWEZNQCLSA-N -1 1 343.386 3.817 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000589158626 1036283601 /nfs/dbraw/zinc/28/36/01/1036283601.db2.gz XPWRWNYUYARKQV-HNNXBMFYSA-N -1 1 344.823 3.884 20 30 EHEDMM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589189522 1036295941 /nfs/dbraw/zinc/29/59/41/1036295941.db2.gz YLAYAAJKXDVKEL-OAQYLSRUSA-N -1 1 334.419 3.749 20 30 EHEDMM C=C(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)c(F)c1 ZINC000589208197 1036312106 /nfs/dbraw/zinc/31/21/06/1036312106.db2.gz AVLKJWRVMYFPFT-QGZVFWFLSA-N -1 1 328.318 3.589 20 30 EHEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000045571869 1036510662 /nfs/dbraw/zinc/51/06/62/1036510662.db2.gz BWCUMKREOQAMJN-JGVFFNPUSA-N -1 1 330.697 3.869 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCc3sc(Cl)cc32)c1 ZINC000590452362 1036887111 /nfs/dbraw/zinc/88/71/11/1036887111.db2.gz REPHVOSVTRELCJ-ZDUSSCGKSA-N -1 1 332.812 3.786 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000591098959 1037223413 /nfs/dbraw/zinc/22/34/13/1037223413.db2.gz OZPVGQKKFHKGLE-LJQANCHMSA-N -1 1 332.403 3.674 20 30 EHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000553519497 1040137825 /nfs/dbraw/zinc/13/78/25/1040137825.db2.gz CTONYDVKBMNVTK-UHFFFAOYSA-N -1 1 339.363 3.990 20 30 EHEDMM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)sc2nccc(C)c12 ZINC000489883051 1040218327 /nfs/dbraw/zinc/21/83/27/1040218327.db2.gz IKWAKRRDGUNXDJ-ZDUSSCGKSA-N -1 1 336.420 3.810 20 30 EHEDMM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc([O-])cc(C#N)c2)C2CC2)o1 ZINC000614295296 1040956676 /nfs/dbraw/zinc/95/66/76/1040956676.db2.gz KICRBWNGLCHIID-XIKOKIGWSA-N -1 1 336.391 3.785 20 30 EHEDMM C#CC[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccccc1 ZINC000765234698 1127586167 /nfs/dbraw/zinc/58/61/67/1127586167.db2.gz WSMHFIBBVTWIDK-OAHLLOKOSA-N -1 1 344.208 3.649 20 30 EHEDMM CCOc1ccc(OCC(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001649040953 1127791687 /nfs/dbraw/zinc/79/16/87/1127791687.db2.gz MOQLMGCVXACXCZ-UHFFFAOYSA-N -1 1 335.787 3.536 20 30 EHEDMM C[C@H](C(=O)[N-][C@](C)(c1ccc(F)cc1)C(F)(F)F)C(F)(F)F ZINC000542869814 1128714278 /nfs/dbraw/zinc/71/42/78/1128714278.db2.gz BLUPTEAHQGKHLJ-RDDDGLTNSA-N -1 1 331.231 3.918 20 30 EHEDMM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000193466456 1121333171 /nfs/dbraw/zinc/33/31/71/1121333171.db2.gz ZWKVUXOQEBKEFJ-SNVBAGLBSA-N -1 1 337.162 3.856 20 30 EHEDMM CCOc1cc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)ccc1OC ZINC000915988988 1122013645 /nfs/dbraw/zinc/01/36/45/1122013645.db2.gz RMKOHQBGZGEZIC-RQZCQDPDSA-N -1 1 326.348 3.724 20 30 EHEDMM C[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000615500474 1123811320 /nfs/dbraw/zinc/81/13/20/1123811320.db2.gz JRAGXFOTXABJHY-LLVKDONJSA-N -1 1 348.324 3.816 20 30 EHEDMM COCCCC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000619421031 1125346519 /nfs/dbraw/zinc/34/65/19/1125346519.db2.gz DHLAAUNZQMNBPG-IBGZPJMESA-N -1 1 338.407 3.552 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)c1 ZINC000619457097 1125349888 /nfs/dbraw/zinc/34/98/88/1125349888.db2.gz QEPZHOVXRVYLLY-UHFFFAOYSA-N -1 1 340.810 3.937 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc(C)c1Cl ZINC000619668500 1125383132 /nfs/dbraw/zinc/38/31/32/1125383132.db2.gz SDAUHSWELMGZDC-UHFFFAOYSA-N -1 1 334.828 3.824 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(F)cc1F ZINC000123731228 1129548370 /nfs/dbraw/zinc/54/83/70/1129548370.db2.gz ZTFBTXWMXRZBCE-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000732268851 1130907644 /nfs/dbraw/zinc/90/76/44/1130907644.db2.gz DCXUTOVDXDWINE-IBGZPJMESA-N -1 1 329.359 3.695 20 30 EHEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(C)sn1 ZINC000774043143 1133592553 /nfs/dbraw/zinc/59/25/53/1133592553.db2.gz MUAINFROAJUSLK-AWEZNQCLSA-N -1 1 341.436 3.538 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cnn2cc(F)ccc12 ZINC001188002021 1134411295 /nfs/dbraw/zinc/41/12/95/1134411295.db2.gz VONINLBLJFUZAL-UHFFFAOYSA-N -1 1 327.425 3.576 20 30 EHEDMM Cc1cccc([O-])c1C(=O)Nc1ccccc1-c1ccc(C#N)cn1 ZINC001188655631 1134487135 /nfs/dbraw/zinc/48/71/35/1134487135.db2.gz SBNSRJARWQSAAI-UHFFFAOYSA-N -1 1 329.359 3.887 20 30 EHEDMM N#Cc1ccc(NC(=O)c2nc(Cl)ccc2C(F)(F)F)c([O-])c1 ZINC001188772721 1134506448 /nfs/dbraw/zinc/50/64/48/1134506448.db2.gz NMDLSKPGDCJDIY-UHFFFAOYSA-N -1 1 341.676 3.583 20 30 EHEDMM N#Cc1cc(F)c(C(=O)[N-]c2c(F)cc(C#N)cc2Cl)c(F)c1 ZINC001191936572 1134943863 /nfs/dbraw/zinc/94/38/63/1134943863.db2.gz IHBIPHPFXFEYMJ-UHFFFAOYSA-N -1 1 335.672 3.753 20 30 EHEDMM N#Cc1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3N)cc2)cc1 ZINC001193885934 1135193752 /nfs/dbraw/zinc/19/37/52/1135193752.db2.gz FPMBPCZQWKSEHH-UHFFFAOYSA-N -1 1 349.415 3.608 20 30 EHEDMM CCCC[C@@H](C)C(C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000807971300 1135593917 /nfs/dbraw/zinc/59/39/17/1135593917.db2.gz QBXPFOZMPBIDSI-LLVKDONJSA-N -1 1 332.452 3.901 20 30 EHEDMM C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809702808 1135874690 /nfs/dbraw/zinc/87/46/90/1135874690.db2.gz YTFHRWXLCPENOS-UHFFFAOYSA-N -1 1 339.794 3.848 20 30 EHEDMM C=CC[C@H](C(=O)Nc1nc(C(=O)OCC)c(Cl)[n-]1)c1ccccc1 ZINC001133885645 1136354809 /nfs/dbraw/zinc/35/48/09/1136354809.db2.gz RTDJVJARDHUZPU-LBPRGKRZSA-N -1 1 347.802 3.538 20 30 EHEDMM N#CCOc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000776705813 1136583403 /nfs/dbraw/zinc/58/34/03/1136583403.db2.gz MUFUCNUBSGMMIV-UHFFFAOYSA-N -1 1 336.269 3.566 20 30 EHEDMM C=CCC1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000819413829 1136942022 /nfs/dbraw/zinc/94/20/22/1136942022.db2.gz ONYDDWPHTOABDE-UHFFFAOYSA-N -1 1 343.345 3.626 20 30 EHEDMM [O-]c1ccc(C=NNCc2ccccc2Cl)cc1Br ZINC000864029046 1137212378 /nfs/dbraw/zinc/21/23/78/1137212378.db2.gz VPDQMVMOIMVNJU-UHFFFAOYSA-N -1 1 339.620 3.932 20 30 EHEDMM COCCOc1ccc(F)cc1N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866330266 1137346196 /nfs/dbraw/zinc/34/61/96/1137346196.db2.gz DCWHGDXMIBYKRS-GFCCVEGCSA-N -1 1 330.359 3.601 20 30 EHEDMM Cc1ccc(C(=O)NCC2CC2)cc1N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866346318 1137347882 /nfs/dbraw/zinc/34/78/82/1137347882.db2.gz WHTZZWWELDCSMT-AWEZNQCLSA-N -1 1 349.434 3.885 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000063911256 214775772 /nfs/dbraw/zinc/77/57/72/214775772.db2.gz DXXBZVCROJHWHZ-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM O=C([O-])c1ccccc1-c1ccc(CN=Nc2ccc(F)cn2)o1 ZINC000740240763 599969671 /nfs/dbraw/zinc/96/96/71/599969671.db2.gz FQYZZZCZHNHCSY-UHFFFAOYSA-N -1 1 325.299 3.625 20 30 EHEDMM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)c(Cl)c1O ZINC000763370967 604670150 /nfs/dbraw/zinc/67/01/50/604670150.db2.gz WQTZYALIIDBBHE-UHFFFAOYSA-N -1 1 340.166 3.628 20 30 EHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2cc(O)ccc2c1 ZINC000822922505 606392942 /nfs/dbraw/zinc/39/29/42/606392942.db2.gz GSUKIIRMYFBVRG-FNORWQNLSA-N -1 1 348.387 3.683 20 30 EHEDMM CCOc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000186816325 1014498130 /nfs/dbraw/zinc/49/81/30/1014498130.db2.gz BZOCUWZXNVTLGZ-GTNSWQLSSA-N -1 1 336.819 3.647 20 30 EHEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1cccc(-c2cccnc2)c1 ZINC000756905576 978702123 /nfs/dbraw/zinc/70/21/23/978702123.db2.gz DPIXHYGYSOPXAY-UHFFFAOYSA-N -1 1 347.374 3.901 20 30 EHEDMM C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593208215 994221263 /nfs/dbraw/zinc/22/12/63/994221263.db2.gz HAEJLTCHTUQXOR-TZMCWYRMSA-N -1 1 329.425 3.927 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)cc1[O-] ZINC000189143325 1016441424 /nfs/dbraw/zinc/44/14/24/1016441424.db2.gz YELBOQLUUYYOPH-HNNXBMFYSA-N -1 1 342.782 3.561 20 30 EHEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000536308402 1018459966 /nfs/dbraw/zinc/45/99/66/1018459966.db2.gz HGNUAPNTOGGCKK-UHFFFAOYSA-N -1 1 332.828 3.620 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000614357745 1018847752 /nfs/dbraw/zinc/84/77/52/1018847752.db2.gz RJVMQCFOWOFHQF-QGZVFWFLSA-N -1 1 326.783 3.798 20 30 EHEDMM Cc1cc(Br)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614357559 1018848478 /nfs/dbraw/zinc/84/84/78/1018848478.db2.gz ANTATYSILCXMFP-UHFFFAOYSA-N -1 1 331.169 3.587 20 30 EHEDMM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000280054282 1020040291 /nfs/dbraw/zinc/04/02/91/1020040291.db2.gz YMKXUDBQWXFDTG-UHFFFAOYSA-N -1 1 344.436 3.731 20 30 EHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)c1 ZINC000516671077 1021639262 /nfs/dbraw/zinc/63/92/62/1021639262.db2.gz KAPCAGOLKNLPQP-UHFFFAOYSA-N -1 1 347.436 3.759 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(F)c1 ZINC000135366850 1022620187 /nfs/dbraw/zinc/62/01/87/1022620187.db2.gz GEYXGOKJBHPRNB-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM CS[C@H](C)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000331291611 1022791851 /nfs/dbraw/zinc/79/18/51/1022791851.db2.gz POGINFJVSJBUIN-LLVKDONJSA-N -1 1 336.457 3.720 20 30 EHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2ccc[nH]2)cc1 ZINC000341950672 1023717502 /nfs/dbraw/zinc/71/75/02/1023717502.db2.gz XKKGTIIHBQREEB-UHFFFAOYSA-N -1 1 337.404 3.663 20 30 EHEDMM Cc1nsc([N-]C(=O)c2nc(-c3ccccc3)cs2)c1C#N ZINC000439290961 1024137248 /nfs/dbraw/zinc/13/72/48/1024137248.db2.gz CTYINKIBAHCEGT-UHFFFAOYSA-N -1 1 326.406 3.699 20 30 EHEDMM CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442857663 1025553487 /nfs/dbraw/zinc/55/34/87/1025553487.db2.gz UAMZHBZSIUPGFJ-UHFFFAOYSA-N -1 1 334.375 3.845 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc1[O-] ZINC000442859287 1025555752 /nfs/dbraw/zinc/55/57/52/1025555752.db2.gz WQZOUEHGUIDAFF-HXUWFJFHSA-N -1 1 346.361 3.922 20 30 EHEDMM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](C)c1ccccc1OC ZINC000442953661 1025607359 /nfs/dbraw/zinc/60/73/59/1025607359.db2.gz YNHMDLXPXAXRLU-CQSZACIVSA-N -1 1 338.407 3.886 20 30 EHEDMM CCC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1F ZINC000443050463 1025669689 /nfs/dbraw/zinc/66/96/89/1025669689.db2.gz MUWJNHYOWFLPNS-INIZCTEOSA-N -1 1 330.334 3.813 20 30 EHEDMM CC(C)(c1ccc(C([O-])=C(C#N)c2ccncn2)cc1)C(F)(F)F ZINC000447609040 1030363647 /nfs/dbraw/zinc/36/36/47/1030363647.db2.gz XIERFRWFDZHECJ-ZDUSSCGKSA-N -1 1 333.313 3.807 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)cc1[O-] ZINC000526946944 1030496712 /nfs/dbraw/zinc/49/67/12/1030496712.db2.gz TVANEJSJMSDTHW-SFHVURJKSA-N -1 1 338.382 3.640 20 30 EHEDMM CCCN(C)c1ccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1 ZINC000064025101 1030736817 /nfs/dbraw/zinc/73/68/17/1030736817.db2.gz WGVPWSPNFVJEQE-UHFFFAOYSA-N -1 1 325.372 3.547 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C/c2cnc(-c3ccccn3)s2)c1 ZINC000156687907 1035598137 /nfs/dbraw/zinc/59/81/37/1035598137.db2.gz FBPXWVQBDKDZPS-SOFGYWHQSA-N -1 1 338.388 3.815 20 30 EHEDMM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000613500664 1036128533 /nfs/dbraw/zinc/12/85/33/1036128533.db2.gz BGODRMOFJFRDSO-UHFFFAOYSA-N -1 1 326.371 3.701 20 30 EHEDMM CC1(C)CCCc2sc(NC(=O)c3cc([O-])cc(C#N)c3)nc21 ZINC000589657850 1036583994 /nfs/dbraw/zinc/58/39/94/1036583994.db2.gz IVRLJWBRECJFTR-UHFFFAOYSA-N -1 1 327.409 3.587 20 30 EHEDMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1cccc(C#N)c1 ZINC000442911304 1036701072 /nfs/dbraw/zinc/70/10/72/1036701072.db2.gz ZAQDEFRVIPAHRT-MRVPVSSYSA-N -1 1 325.315 3.926 20 30 EHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1C(F)(F)F ZINC000443275284 1037562061 /nfs/dbraw/zinc/56/20/61/1037562061.db2.gz KYTZEXAJYHECRC-JTQLQIEISA-N -1 1 334.297 3.774 20 30 EHEDMM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)Cc1ncccc1[O-] ZINC000591839093 1037646593 /nfs/dbraw/zinc/64/65/93/1037646593.db2.gz FWYQCXIMKMMALF-LBPRGKRZSA-N -1 1 335.329 3.720 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)cc1[O-] ZINC000478262454 1039330857 /nfs/dbraw/zinc/33/08/57/1039330857.db2.gz CGOFDDLRZDVGQP-UHFFFAOYSA-N -1 1 340.810 3.937 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000614298396 1040962324 /nfs/dbraw/zinc/96/23/24/1040962324.db2.gz VTQIZGBNRXDEID-INIZCTEOSA-N -1 1 340.810 3.765 20 30 EHEDMM N#CC(=C([O-])c1ccc(-n2ccnc2)cc1)c1nc2ccccc2o1 ZINC000193276390 1127435248 /nfs/dbraw/zinc/43/52/48/1127435248.db2.gz LBYUIWRNPMQOAX-HNNXBMFYSA-N -1 1 328.331 3.504 20 30 EHEDMM Cc1cc(C)c(C#N)c(NCc2cccc(Br)c2[O-])n1 ZINC000764935281 1127555764 /nfs/dbraw/zinc/55/57/64/1127555764.db2.gz QUDAVOUOJIRHJP-UHFFFAOYSA-N -1 1 332.201 3.650 20 30 EHEDMM C=CCCc1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000109507706 1128207079 /nfs/dbraw/zinc/20/70/79/1128207079.db2.gz XVRUXINPKZCICQ-UHFFFAOYSA-N -1 1 339.189 3.722 20 30 EHEDMM C[C@@H](C(=O)[N-][C@@](C)(c1ccc(F)cc1)C(F)(F)F)C(F)(F)F ZINC000542869804 1128714082 /nfs/dbraw/zinc/71/40/82/1128714082.db2.gz BLUPTEAHQGKHLJ-CPCISQLKSA-N -1 1 331.231 3.918 20 30 EHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccc4[nH]ccc4c3)nc1-2 ZINC000765948971 1128858207 /nfs/dbraw/zinc/85/82/07/1128858207.db2.gz PYRRRURVCVCDCB-QTLSWZBMSA-N -1 1 341.374 3.637 20 30 EHEDMM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC001670582414 1120088434 /nfs/dbraw/zinc/08/84/34/1120088434.db2.gz CTPDGSWWMFPPBK-UHFFFAOYSA-N -1 1 328.286 3.936 20 30 EHEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1cc(Br)ncc1F ZINC000762422835 1121292888 /nfs/dbraw/zinc/29/28/88/1121292888.db2.gz ASJRSENYEJYSJK-IWQZZHSRSA-N -1 1 340.123 3.724 20 30 EHEDMM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000130521729 1122602785 /nfs/dbraw/zinc/60/27/85/1122602785.db2.gz OLPLYBDUVPWVJN-YGRLFVJLSA-N -1 1 347.267 3.744 20 30 EHEDMM COCCOc1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1 ZINC000921268536 1123503532 /nfs/dbraw/zinc/50/35/32/1123503532.db2.gz BTWPVSIBNCAILH-WAPJZHGLSA-N -1 1 332.783 3.967 20 30 EHEDMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OCCCC#N ZINC000064367221 1123586074 /nfs/dbraw/zinc/58/60/74/1123586074.db2.gz UGLIBFRBZYRMLL-LCYFTJDESA-N -1 1 334.422 3.707 20 30 EHEDMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000609877088 1123682192 /nfs/dbraw/zinc/68/21/92/1123682192.db2.gz YENRTTUTZARWRJ-UHFFFAOYSA-N -1 1 328.437 3.792 20 30 EHEDMM CC(C)CN(CCc1ccc(F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000615455256 1123803857 /nfs/dbraw/zinc/80/38/57/1123803857.db2.gz ZHEHONRXXGJDPH-UHFFFAOYSA-N -1 1 340.398 3.744 20 30 EHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1 ZINC000619461155 1125350162 /nfs/dbraw/zinc/35/01/62/1125350162.db2.gz IOKXIVXZZSKCGJ-UHFFFAOYSA-N -1 1 341.219 3.860 20 30 EHEDMM N#Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1[O-] ZINC000329147119 1129592864 /nfs/dbraw/zinc/59/28/64/1129592864.db2.gz AUDJGPBFNPGZHD-OTWHNJEPSA-N -1 1 332.403 3.672 20 30 EHEDMM CC(=NNCCOCC(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000766030646 1129849263 /nfs/dbraw/zinc/84/92/63/1129849263.db2.gz XBBCPROOIUVXMJ-UHFFFAOYSA-N -1 1 345.148 3.592 20 30 EHEDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000132614975 1129910446 /nfs/dbraw/zinc/91/04/46/1129910446.db2.gz WDZJMOQLUOBBAN-UHFFFAOYSA-N -1 1 348.811 3.605 20 30 EHEDMM Cc1ccc(-c2nsc([N-]C(=O)c3sccc3C#N)n2)s1 ZINC000171237549 1130039528 /nfs/dbraw/zinc/03/95/28/1130039528.db2.gz NXBISNTUDGVKMK-UHFFFAOYSA-N -1 1 332.435 3.761 20 30 EHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000187221591 1131157244 /nfs/dbraw/zinc/15/72/44/1131157244.db2.gz SNGSPDWXALFUIR-WDZFZDKYSA-N -1 1 347.273 3.724 20 30 EHEDMM C=CCOC1CCC(Nc2c(C)c(=O)[n-]n2-c2ccccc2)CC1 ZINC001173319298 1132061168 /nfs/dbraw/zinc/06/11/68/1132061168.db2.gz DNJSHRMHBHFGOI-UHFFFAOYSA-N -1 1 327.428 3.812 20 30 EHEDMM Cc1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cn1 ZINC001174282014 1132297626 /nfs/dbraw/zinc/29/76/26/1132297626.db2.gz VCPMYGQXUROUDN-DJKKODMXSA-N -1 1 337.408 3.669 20 30 EHEDMM N#Cc1cc([N-]C(=O)c2coc(C3CCC3)n2)c(Cl)c([N+](=O)[O-])c1 ZINC000766832042 1132857128 /nfs/dbraw/zinc/85/71/28/1132857128.db2.gz ZRSXNTOYHLCISU-UHFFFAOYSA-N -1 1 346.730 3.628 20 30 EHEDMM COC(=O)c1ccc(NN=C(C)c2ccc([O-])c(Cl)c2)c(OC)c1 ZINC000768784909 1133182587 /nfs/dbraw/zinc/18/25/87/1133182587.db2.gz VVOAEZRSGIITNR-UHFFFAOYSA-N -1 1 348.786 3.677 20 30 EHEDMM COc1cc(C#N)ccc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768893250 1133198136 /nfs/dbraw/zinc/19/81/36/1133198136.db2.gz YERZCJKEWCTRJE-FPLPWBNLSA-N -1 1 348.811 3.633 20 30 EHEDMM CC[C@H]1C[C@@H](C)CCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769585330 1133316921 /nfs/dbraw/zinc/31/69/21/1133316921.db2.gz LXXYFCGHCLPRPU-RYUDHWBXSA-N -1 1 344.463 3.901 20 30 EHEDMM N#Cc1ccc(NC(=O)CCc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC001180916466 1133427607 /nfs/dbraw/zinc/42/76/07/1133427607.db2.gz PZOWHTDQQZHVEO-UHFFFAOYSA-N -1 1 334.297 3.854 20 30 EHEDMM C#Cc1ccc(-c2nc(-c3cc(Cl)c([O-])c(OCC)c3)no2)nc1 ZINC000771107013 1133511074 /nfs/dbraw/zinc/51/10/74/1133511074.db2.gz AHQNQWMEQDGDJS-UHFFFAOYSA-N -1 1 341.754 3.538 20 30 EHEDMM Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189394287 1134586094 /nfs/dbraw/zinc/58/60/94/1134586094.db2.gz PHVBBZYEYGSZKP-UHFFFAOYSA-N -1 1 340.379 3.960 20 30 EHEDMM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(OCC(F)F)cc2)c(O)c1 ZINC000806560293 1135459269 /nfs/dbraw/zinc/45/92/69/1135459269.db2.gz KQSLABSBTMFQSV-FPYGCLRLSA-N -1 1 348.301 3.630 20 30 EHEDMM O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2OC(F)F)c(O)c1 ZINC000806558581 1135459335 /nfs/dbraw/zinc/45/93/35/1135459335.db2.gz GUIBUSIVLYJZLH-SOFGYWHQSA-N -1 1 334.274 3.588 20 30 EHEDMM O=C([O-])c1ccc(C(=O)/C=C/c2cnc(-c3ccco3)s2)c(O)c1 ZINC000806561112 1135460159 /nfs/dbraw/zinc/46/01/59/1135460159.db2.gz RJTHUGVRKNEWFD-GQCTYLIASA-N -1 1 341.344 3.703 20 30 EHEDMM O=C([O-])c1ccc(C(=O)/C=C\c2cnc(-c3ccco3)s2)c(O)c1 ZINC000806561151 1135460184 /nfs/dbraw/zinc/46/01/84/1135460184.db2.gz RJTHUGVRKNEWFD-XQRVVYSFSA-N -1 1 341.344 3.703 20 30 EHEDMM Cc1cnc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)nc1C ZINC001196297554 1135544614 /nfs/dbraw/zinc/54/46/14/1135544614.db2.gz NPGAJHSZKWTLBT-UHFFFAOYSA-N -1 1 344.374 3.590 20 30 EHEDMM Cc1coc([N-]C(=O)c2c(Cl)ccnc2C(F)(F)F)c1C#N ZINC001197222863 1135661265 /nfs/dbraw/zinc/66/12/65/1135661265.db2.gz FOKMGYSYEOTOLI-UHFFFAOYSA-N -1 1 329.665 3.779 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cc1C#N ZINC001201316870 1136006438 /nfs/dbraw/zinc/00/64/38/1136006438.db2.gz FYELYARUYOEJGB-UHFFFAOYSA-N -1 1 338.388 3.526 20 30 EHEDMM O=C(/C=C/c1cn2ccc(Br)cc2n1)c1ccc([O-])cc1 ZINC000811685495 1136121751 /nfs/dbraw/zinc/12/17/51/1136121751.db2.gz UOZKHUJZUADUSZ-ZZXKWVIFSA-N -1 1 343.180 3.699 20 30 EHEDMM Cc1cc(C=NNc2ccccc2C(=O)[O-])c(C)n1Cc1ccco1 ZINC000812444574 1136208430 /nfs/dbraw/zinc/20/84/30/1136208430.db2.gz CCZDLUNYYFEJHN-UHFFFAOYSA-N -1 1 337.379 3.890 20 30 EHEDMM CCc1cccc2c1NC(=O)C2=NN=c1[n-]nc(-c2ccccc2)s1 ZINC000814946959 1136529831 /nfs/dbraw/zinc/52/98/31/1136529831.db2.gz VKKBONPRCFXUPQ-UHFFFAOYSA-N -1 1 349.419 3.536 20 30 EHEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000825011639 1137160011 /nfs/dbraw/zinc/16/00/11/1137160011.db2.gz QWYQLEBHQZIFBF-TZMCWYRMSA-N -1 1 339.361 3.668 20 30 EHEDMM Cc1cc(N[C@H](C)c2cccc(C#N)c2[O-])ccc1N1CCOCC1 ZINC000866336962 1137346887 /nfs/dbraw/zinc/34/68/87/1137346887.db2.gz TZSSWDNEPXXBFG-OAHLLOKOSA-N -1 1 337.423 3.582 20 30 EHEDMM O=C1c2cccc(O)c2C/C1=C\c1ccc([O-])c(Br)c1 ZINC000207543543 1137427233 /nfs/dbraw/zinc/42/72/33/1137427233.db2.gz NRARXSXRJOUDQD-UXBLZVDNSA-N -1 1 331.165 3.683 20 30 EHEDMM O=C(Nc1cccc(/C=C2\Oc3cc([O-])ccc3C2=O)c1)C(F)(F)F ZINC000214379883 1137846500 /nfs/dbraw/zinc/84/65/00/1137846500.db2.gz WKQLQLABRJUOJB-AUWJEWJLSA-N -1 1 349.264 3.509 20 30 EHEDMM CC(C)(C)CN(CCC#N)C(=O)c1cc(Br)ccc1[O-] ZINC000118227145 1137932920 /nfs/dbraw/zinc/93/29/20/1137932920.db2.gz VZOSBNZUNREDAF-UHFFFAOYSA-N -1 1 339.233 3.557 20 30 EHEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1SCCc2sccc21 ZINC000079700701 1138157817 /nfs/dbraw/zinc/15/78/17/1138157817.db2.gz XMHDMSVTMRFHPH-SSDOTTSWSA-N -1 1 334.348 3.504 20 30 EHEDMM CCc1cccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000080938987 1138165289 /nfs/dbraw/zinc/16/52/89/1138165289.db2.gz KAHXAZOJUJCOEC-UHFFFAOYSA-N -1 1 344.436 3.732 20 30 EHEDMM N#CC(C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1nc2ccccc2o1 ZINC000740302609 602566140 /nfs/dbraw/zinc/56/61/40/602566140.db2.gz BSYPQWARLHJMGO-JTQLQIEISA-N -1 1 339.282 3.547 20 30 EHEDMM N#C[C@@H](C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1nc2ccccc2o1 ZINC000740302609 602566141 /nfs/dbraw/zinc/56/61/41/602566141.db2.gz BSYPQWARLHJMGO-JTQLQIEISA-N -1 1 339.282 3.547 20 30 EHEDMM N#Cc1ccc(CN[C@H](CNC(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000833972027 605632652 /nfs/dbraw/zinc/63/26/52/605632652.db2.gz RRXHPSLLMDPUGC-HXUWFJFHSA-N -1 1 345.402 3.810 20 30 EHEDMM CCCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821128184 606388818 /nfs/dbraw/zinc/38/88/18/606388818.db2.gz QXVVTLPWFOMNHD-VQHVLOKHSA-N -1 1 340.408 3.613 20 30 EHEDMM O=C(C=Cc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826399987 608092208 /nfs/dbraw/zinc/09/22/08/608092208.db2.gz MFHWAVKHPDBERR-RQOWECAXSA-N -1 1 334.763 3.617 20 30 EHEDMM O=C(C=Cc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826399987 608092209 /nfs/dbraw/zinc/09/22/09/608092209.db2.gz MFHWAVKHPDBERR-RQOWECAXSA-N -1 1 334.763 3.617 20 30 EHEDMM C=CCCC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCC1 ZINC001573334395 947453452 /nfs/dbraw/zinc/45/34/52/947453452.db2.gz MTTMIJIYTDYTBX-UHFFFAOYSA-N -1 1 342.403 3.713 20 30 EHEDMM C=CCCC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCC1 ZINC001573334395 947453459 /nfs/dbraw/zinc/45/34/59/947453459.db2.gz MTTMIJIYTDYTBX-UHFFFAOYSA-N -1 1 342.403 3.713 20 30 EHEDMM N#Cc1ccc(CN2CCC[C@@H](CCC(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000595878677 953772799 /nfs/dbraw/zinc/77/27/99/953772799.db2.gz MVXSNKBXITYNFG-LBPRGKRZSA-N -1 1 340.345 3.654 20 30 EHEDMM COCC(N=Nc1ccc(C(=O)[O-])cc1OC)c1cccc(Cl)c1 ZINC000814886911 978895963 /nfs/dbraw/zinc/89/59/63/978895963.db2.gz JTLMTJQNBPGAOI-UHFFFAOYSA-N -1 1 348.786 3.509 20 30 EHEDMM COCC(N=Nc1ccc(C(=O)[O-])cc1OC)c1ccc(Cl)cc1 ZINC000814888107 978896438 /nfs/dbraw/zinc/89/64/38/978896438.db2.gz XLURYOPYSPTSLN-UHFFFAOYSA-N -1 1 348.786 3.509 20 30 EHEDMM C=C[C@@H](Sc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1)C(=O)[O-] ZINC001588714391 983951212 /nfs/dbraw/zinc/95/12/12/983951212.db2.gz GHPBJWFNBCJKJQ-SECBINFHSA-N -1 1 330.196 3.510 20 30 EHEDMM CC1(c2ccccc2)CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001594079758 997974078 /nfs/dbraw/zinc/97/40/78/997974078.db2.gz RBHVZFSZNBZRMV-UHFFFAOYSA-N -1 1 334.419 3.810 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)c(Cl)c1 ZINC000189745945 1016706700 /nfs/dbraw/zinc/70/67/00/1016706700.db2.gz KREBDYUWFKTFKI-UHFFFAOYSA-N -1 1 333.221 3.727 20 30 EHEDMM CN(CCc1cccc2ccccc21)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614368503 1018863966 /nfs/dbraw/zinc/86/39/66/1018863966.db2.gz WVZRAQAWBOOKAA-UHFFFAOYSA-N -1 1 330.387 3.732 20 30 EHEDMM C=CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000729073352 1019176770 /nfs/dbraw/zinc/17/67/70/1019176770.db2.gz SOKWSBVTEMXMJL-UHFFFAOYSA-N -1 1 345.420 3.529 20 30 EHEDMM C=CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000729073578 1019177025 /nfs/dbraw/zinc/17/70/25/1019177025.db2.gz CRHKSXBWKGTTPQ-UHFFFAOYSA-N -1 1 345.420 3.529 20 30 EHEDMM COc1cc(/C=C/c2ncccc2C#N)cc(Br)c1[O-] ZINC000436928736 1021389737 /nfs/dbraw/zinc/38/97/37/1021389737.db2.gz SXSGNOBTTUIQKW-SNAWJCMRSA-N -1 1 331.169 3.600 20 30 EHEDMM COc1cc(OC)cc(C([O-])=C(C#N)c2nc3ccccc3s2)c1 ZINC000046441625 1033088829 /nfs/dbraw/zinc/08/88/29/1033088829.db2.gz MURAGQHGZGFLDI-CQSZACIVSA-N -1 1 338.388 3.804 20 30 EHEDMM N#CC(=C([O-])c1cccc(C(F)F)c1F)c1nnc2n1CCCCC2 ZINC000528929555 1033106407 /nfs/dbraw/zinc/10/64/07/1033106407.db2.gz SRLMJEKSHPAVAZ-LBPRGKRZSA-N -1 1 348.328 3.571 20 30 EHEDMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000320264582 1024217926 /nfs/dbraw/zinc/21/79/26/1024217926.db2.gz YRCYXBYDYQEGNE-UHFFFAOYSA-N -1 1 338.791 3.768 20 30 EHEDMM Cn1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C1CCC1 ZINC000346238294 1024553459 /nfs/dbraw/zinc/55/34/59/1024553459.db2.gz JGHVSZWXSHVCHZ-HNNXBMFYSA-N -1 1 330.391 3.726 20 30 EHEDMM [O-]c1ccc(C=NNCc2ccc(F)cc2F)cc1Br ZINC000727060401 1024643993 /nfs/dbraw/zinc/64/39/93/1024643993.db2.gz NYWBXKUCVRLQIH-UHFFFAOYSA-N -1 1 341.155 3.557 20 30 EHEDMM CC(=Cc1csc(Cl)c1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435341506 1024815924 /nfs/dbraw/zinc/81/59/24/1024815924.db2.gz YCJIKCPVBUGENM-UTCJRWHESA-N -1 1 326.208 3.879 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435718295 1025103299 /nfs/dbraw/zinc/10/32/99/1025103299.db2.gz CFZLYJWWBXEWCM-UHFFFAOYSA-N -1 1 342.420 3.622 20 30 EHEDMM CC(C)(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC000442855610 1025553802 /nfs/dbraw/zinc/55/38/02/1025553802.db2.gz NEKVOJORCLRSPY-QGZVFWFLSA-N -1 1 326.371 3.920 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC(=Cc3ccccc3F)CC2)cc1[O-] ZINC000443066149 1025683257 /nfs/dbraw/zinc/68/32/57/1025683257.db2.gz REPFSOSEECJKNO-UHFFFAOYSA-N -1 1 336.366 3.723 20 30 EHEDMM CC(C)CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCCc2cccnc21 ZINC000443131019 1025742717 /nfs/dbraw/zinc/74/27/17/1025742717.db2.gz QBVUFXUSNBDSMK-GOSISDBHSA-N -1 1 349.434 3.835 20 30 EHEDMM N#CCOc1cccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC001625875651 1025747577 /nfs/dbraw/zinc/74/75/77/1025747577.db2.gz HRWFWNXDLIMBCZ-UHFFFAOYSA-N -1 1 336.269 3.566 20 30 EHEDMM Cc1nc(CC(C)C)oc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000530447321 1025816835 /nfs/dbraw/zinc/81/68/35/1025816835.db2.gz RGSBGXDHHPITGI-ZDUSSCGKSA-N -1 1 336.395 3.856 20 30 EHEDMM N#C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1c(Cl)cccc1Cl ZINC000436551876 1025854077 /nfs/dbraw/zinc/85/40/77/1025854077.db2.gz AYADXSKEXUBCLD-GFCCVEGCSA-N -1 1 339.153 3.833 20 30 EHEDMM N#Cc1ccc(SCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445477347 1028834235 /nfs/dbraw/zinc/83/42/35/1028834235.db2.gz NHFDPUNNWLXOBD-UHFFFAOYSA-N -1 1 327.340 3.745 20 30 EHEDMM C=CCCS(=O)(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000120231460 1029951324 /nfs/dbraw/zinc/95/13/24/1029951324.db2.gz HEXDOKGGEQOBJX-UHFFFAOYSA-N -1 1 325.377 3.501 20 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/nfs/dbraw/zinc/27/32/59/1036273259.db2.gz CAQJZAHVROBAPA-UHFFFAOYSA-N -1 1 337.162 3.832 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000589180626 1036294838 /nfs/dbraw/zinc/29/48/38/1036294838.db2.gz RPCUJGUDHXQBEE-AWEZNQCLSA-N -1 1 326.783 3.547 20 30 EHEDMM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589189615 1036297092 /nfs/dbraw/zinc/29/70/92/1036297092.db2.gz LTEIBTJCHJVCCC-WOJBJXKFSA-N -1 1 334.419 3.981 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000589198195 1036306102 /nfs/dbraw/zinc/30/61/02/1036306102.db2.gz QGYJBGISGSAQMN-SFHVURJKSA-N -1 1 336.366 3.769 20 30 EHEDMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000057126257 1036708071 /nfs/dbraw/zinc/70/80/71/1036708071.db2.gz SUGPYAMSUWCAHN-ZDUSSCGKSA-N -1 1 330.409 3.536 20 30 EHEDMM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000443301076 1037711189 /nfs/dbraw/zinc/71/11/89/1037711189.db2.gz BPSPIXUYIBLNEP-SFHVURJKSA-N -1 1 340.398 3.742 20 30 EHEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(-c2ccccc2)c[nH]1 ZINC000443339492 1037979945 /nfs/dbraw/zinc/97/99/45/1037979945.db2.gz ARDMNQFUNPBBLC-MRXNPFEDSA-N -1 1 346.390 3.535 20 30 EHEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2Cl)CC2CC2)cc1[O-] ZINC000341373122 1038025390 /nfs/dbraw/zinc/02/53/90/1038025390.db2.gz BJDDIECYGAEYLM-UHFFFAOYSA-N -1 1 340.810 3.970 20 30 EHEDMM C=CCn1c(C(C)C)n[n-]c1=N[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000571210151 1041254341 /nfs/dbraw/zinc/25/43/41/1041254341.db2.gz YRSUMDHCVDFSRN-XJKSGUPXSA-N -1 1 348.878 3.851 20 30 EHEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C(C)C)oc2C)cc1 ZINC000796796378 1041956676 /nfs/dbraw/zinc/95/66/76/1041956676.db2.gz CMZDYUAXDZEITF-OAHLLOKOSA-N -1 1 339.395 3.630 20 30 EHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000006315521 1043173071 /nfs/dbraw/zinc/17/30/71/1043173071.db2.gz KGAVFGQQJSSZHC-UHFFFAOYSA-N -1 1 340.376 3.674 20 30 EHEDMM CC(C)c1nc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2o1 ZINC000032097665 1120904545 /nfs/dbraw/zinc/90/45/45/1120904545.db2.gz UECZUYMWSQPNHS-UHFFFAOYSA-N -1 1 341.392 3.624 20 30 EHEDMM CCCC=CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000735203904 1131316376 /nfs/dbraw/zinc/31/63/76/1131316376.db2.gz MAQYWTQKLKWQHN-HXUAIIEXSA-N -1 1 341.436 3.808 20 30 EHEDMM Cc1coc2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc12 ZINC000619463894 1125350673 /nfs/dbraw/zinc/35/06/73/1125350673.db2.gz TYQGSSKYRUVGGQ-UHFFFAOYSA-N -1 1 326.377 3.608 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3[nH]c(=O)oc3c2)n1 ZINC000673813666 1129857183 /nfs/dbraw/zinc/85/71/83/1129857183.db2.gz GHHGRWMYRZPJJE-JTQLQIEISA-N -1 1 327.365 3.603 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccc(OCC(F)F)cc1)O2 ZINC000741845245 1131655834 /nfs/dbraw/zinc/65/58/34/1131655834.db2.gz XDYZGWJNRNJLNE-CHHVJCJISA-N -1 1 332.302 3.961 20 30 EHEDMM CC(C)c1nc(C#N)c(N=NCc2cccc(Br)c2[O-])o1 ZINC000745613731 1132285757 /nfs/dbraw/zinc/28/57/57/1132285757.db2.gz MMWXLIOQRCVTRO-UHFFFAOYSA-N -1 1 349.188 3.584 20 30 EHEDMM O=C(C#Cc1ccc(F)cc1F)Nc1cccc(C(F)(F)F)c1[O-] ZINC001178573719 1133183389 /nfs/dbraw/zinc/18/33/89/1133183389.db2.gz VBJKENNFJVLNRQ-UHFFFAOYSA-N -1 1 341.235 3.679 20 30 EHEDMM N#Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)c([O-])c1 ZINC001182248816 1133602308 /nfs/dbraw/zinc/60/23/08/1133602308.db2.gz JNBVNQGTIQPFBG-UHFFFAOYSA-N -1 1 326.783 3.978 20 30 EHEDMM CC(C)(CC(=O)N([O-])C(=N)c1ccccc1N)c1ccccc1Cl ZINC001183881111 1133869635 /nfs/dbraw/zinc/86/96/35/1133869635.db2.gz UTDBLCZHDRFUMT-UHFFFAOYSA-N -1 1 345.830 3.833 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cnccc1OC(F)F ZINC001188001584 1134410988 /nfs/dbraw/zinc/41/09/88/1134410988.db2.gz OTICAEXJCJZCBI-UHFFFAOYSA-N -1 1 336.404 3.785 20 30 EHEDMM C=CCN(C(=O)c1cnc(-c2ccccc2)[n-]c1=O)C1CCCCC1 ZINC001190269082 1134675095 /nfs/dbraw/zinc/67/50/95/1134675095.db2.gz CHYHPZVATCWBHK-UHFFFAOYSA-N -1 1 337.423 3.810 20 30 EHEDMM CC(C)(C#N)c1cccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001190942165 1134767389 /nfs/dbraw/zinc/76/73/89/1134767389.db2.gz CMSFLMHXDJAMRF-UHFFFAOYSA-N -1 1 346.390 3.631 20 30 EHEDMM CN(C)C(=O)c1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1 ZINC000792925043 1134828151 /nfs/dbraw/zinc/82/81/51/1134828151.db2.gz RAOBGEOZICJTBZ-OQFOIZHKSA-N -1 1 329.783 3.644 20 30 EHEDMM N#Cc1ccc(NC(=O)c2ccnc(Oc3ccccc3)c2)c([O-])c1 ZINC001191803454 1134925845 /nfs/dbraw/zinc/92/58/45/1134925845.db2.gz HEZVJFRAGCKNII-UHFFFAOYSA-N -1 1 331.331 3.703 20 30 EHEDMM C=CCn1cnc2nc([N-]C(=O)OCCCCCCCC)[nH]c(=O)c21 ZINC001194757043 1135318315 /nfs/dbraw/zinc/31/83/15/1135318315.db2.gz XQIVLDHSEGSYGW-UHFFFAOYSA-N -1 1 347.419 3.627 20 30 EHEDMM Cc1ccc(-c2nc(/C=C/C(=O)c3ccc(C(=O)[O-])cc3O)co2)cc1 ZINC000806559978 1135459618 /nfs/dbraw/zinc/45/96/18/1135459618.db2.gz HIXKFCLYKIQUKD-VQHVLOKHSA-N -1 1 349.342 3.950 20 30 EHEDMM N#Cc1ccccc1NC(=S)Nc1ccc(Br)cc1[O-] ZINC001196319042 1135545782 /nfs/dbraw/zinc/54/57/82/1135545782.db2.gz SECNAXLBWUFGKT-UHFFFAOYSA-N -1 1 348.225 3.835 20 30 EHEDMM Cc1c(F)ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1F 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CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000776320353 1136154838 /nfs/dbraw/zinc/15/48/38/1136154838.db2.gz MRBIUPMCGSJXTI-UHFFFAOYSA-N -1 1 349.434 3.526 20 30 EHEDMM N#CC1CCC(CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000338913925 1136159906 /nfs/dbraw/zinc/15/99/06/1136159906.db2.gz BORXUESAYWQHBX-UHFFFAOYSA-N -1 1 343.814 3.654 20 30 EHEDMM [O-]c1cccc(C=NN2C(=S)N=NC2c2cccs2)c1Cl ZINC000814737517 1136499777 /nfs/dbraw/zinc/49/97/77/1136499777.db2.gz HNBNYKKYTLTHKL-UHFFFAOYSA-N -1 1 336.829 3.537 20 30 EHEDMM CC(=NN=c1ccc2ccccc2[nH]1)c1cc(C(=O)[O-])c(C)nc1C ZINC000776720242 1136597344 /nfs/dbraw/zinc/59/73/44/1136597344.db2.gz JSVZTVDODXXBKX-UHFFFAOYSA-N -1 1 334.379 3.781 20 30 EHEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(SC)o2)cc1 ZINC000112483959 1136635568 /nfs/dbraw/zinc/63/55/68/1136635568.db2.gz VOFFQVGWRIKUND-ZDUSSCGKSA-N -1 1 328.393 3.525 20 30 EHEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)oc2C)cc1 ZINC000815908346 1136647079 /nfs/dbraw/zinc/64/70/79/1136647079.db2.gz ZAVCBXKRHDTVLU-INIZCTEOSA-N -1 1 339.395 3.595 20 30 EHEDMM N#CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC001135413359 1136680258 /nfs/dbraw/zinc/68/02/58/1136680258.db2.gz CVZZGNLSPOIGNR-UHFFFAOYSA-N -1 1 336.269 3.566 20 30 EHEDMM C=CCn1cc(CN[C@@H](CC)c2ccc(Cl)c(Cl)c2[O-])nn1 ZINC000818347795 1136872113 /nfs/dbraw/zinc/87/21/13/1136872113.db2.gz VHSOKOUOPNEGHF-ZDUSSCGKSA-N -1 1 341.242 3.717 20 30 EHEDMM CC(C)(C)Cc1cc(=O)n(-c2ccc(C#N)c(Br)c2)[n-]1 ZINC001245933770 1136950083 /nfs/dbraw/zinc/95/00/83/1136950083.db2.gz YHMAIYRXWNTQAO-UHFFFAOYSA-N -1 1 334.217 3.801 20 30 EHEDMM C=CCOc1ccccc1CNCc1cccc(CCC(=O)[O-])c1 ZINC000864517935 1137231618 /nfs/dbraw/zinc/23/16/18/1137231618.db2.gz QDQDKNVOIHLFIW-UHFFFAOYSA-N -1 1 325.408 3.558 20 30 EHEDMM CC(=NOCCC(F)(F)F)c1ccc([O-])c(Br)c1 ZINC000844591217 1137237993 /nfs/dbraw/zinc/23/79/93/1137237993.db2.gz COQBOIOVHZCGJY-UHFFFAOYSA-N -1 1 326.112 3.848 20 30 EHEDMM N#Cc1ccccc1OC1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144657836 1137323639 /nfs/dbraw/zinc/32/36/39/1137323639.db2.gz KEZGGMNWXMWVLU-UHFFFAOYSA-N -1 1 344.361 3.585 20 30 EHEDMM C[C@H](Nc1cccc(N2CCCCC2=O)c1)c1cccc(C#N)c1[O-] ZINC000866315294 1137345020 /nfs/dbraw/zinc/34/50/20/1137345020.db2.gz KOQADICDKSGCMN-AWEZNQCLSA-N -1 1 335.407 3.954 20 30 EHEDMM C[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc(C#N)c1[O-] ZINC000866322065 1137345505 /nfs/dbraw/zinc/34/55/05/1137345505.db2.gz RWCLOEMAXFJAEF-RDTXWAMCSA-N -1 1 338.407 3.995 20 30 EHEDMM COc1c(F)c(F)cc(C(=O)[N-]c2c(C#N)ccc(F)c2F)c1F ZINC001148789022 1137433737 /nfs/dbraw/zinc/43/37/37/1137433737.db2.gz RRKCBOVKPSKFCA-UHFFFAOYSA-N -1 1 342.223 3.515 20 30 EHEDMM C[C@@H](Nc1cccc([C@@H]2CCCC(=O)N2)c1)c1cccc(C#N)c1[O-] ZINC000886808197 1138146002 /nfs/dbraw/zinc/14/60/02/1138146002.db2.gz DZLBRESYEUFMFT-ACJLOTCBSA-N -1 1 335.407 3.778 20 30 EHEDMM CCCC[C@H]1CCCC1N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000736442620 598437715 /nfs/dbraw/zinc/43/77/15/598437715.db2.gz XSJBBRJWBJEUAR-NSHDSACASA-N -1 1 345.451 3.910 20 30 EHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCCC(C)(C)C2)o1 ZINC000824352754 607782831 /nfs/dbraw/zinc/78/28/31/607782831.db2.gz LSNMVJKRRNYFQX-NSHDSACASA-N -1 1 331.424 3.592 20 30 EHEDMM C=CCN(Cc1ccc(OC)cc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000736108331 600086863 /nfs/dbraw/zinc/08/68/63/600086863.db2.gz AAFSJAHUJCACDB-UHFFFAOYSA-N -1 1 329.371 3.721 20 30 EHEDMM C/C(=C\CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C(=O)[O-] ZINC000825729876 601051707 /nfs/dbraw/zinc/05/17/07/601051707.db2.gz NPGVBOJECHOJSR-OQLLNIDSSA-N -1 1 338.382 3.730 20 30 EHEDMM C[C@@H](C(=O)[O-])n1cccc1C=NNc1c(Cl)cccc1Cl ZINC000833406006 605040812 /nfs/dbraw/zinc/04/08/12/605040812.db2.gz JSHNFOMKLASZNM-VIFPVBQESA-N -1 1 326.183 3.887 20 30 EHEDMM O=C([O-])c1ccccc1N=NCc1ccc(OCc2ccncc2)cc1 ZINC000833783816 605102221 /nfs/dbraw/zinc/10/22/21/605102221.db2.gz STCYBSOTDIKABE-UHFFFAOYSA-N -1 1 347.374 3.805 20 30 EHEDMM N#Cc1cccc(C2(N[C@@H]3C[C@H](NC(=O)[O-])c4ccccc43)CC2)c1 ZINC000833978694 605810278 /nfs/dbraw/zinc/81/02/78/605810278.db2.gz SQPBFZAVEHNFLO-ZWKOTPCHSA-N -1 1 333.391 3.591 20 30 EHEDMM N#Cc1cccc(C2(N[C@@H]3C[C@@H](NC(=O)[O-])c4ccccc43)CC2)c1 ZINC000833978692 605810410 /nfs/dbraw/zinc/81/04/10/605810410.db2.gz SQPBFZAVEHNFLO-QZTJIDSGSA-N -1 1 333.391 3.591 20 30 EHEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1c(C)cc(C)cc1O ZINC000799884490 978844579 /nfs/dbraw/zinc/84/45/79/978844579.db2.gz FTDNJAACEBVWMA-UHFFFAOYSA-N -1 1 328.368 3.552 20 30 EHEDMM Cc1nn(C(C)C)c(C)c1C(C)N=Nc1ccc(C(=O)[O-])c(F)c1 ZINC000835010076 979244087 /nfs/dbraw/zinc/24/40/87/979244087.db2.gz NIHPVTJQZJPPLI-UHFFFAOYSA-N -1 1 332.379 3.754 20 30 EHEDMM C=CC[C@H]1CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000890556526 1014715488 /nfs/dbraw/zinc/71/54/88/1014715488.db2.gz LNGINZCRUORWLP-ZDUSSCGKSA-N -1 1 332.400 3.530 20 30 EHEDMM CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001594724977 987225198 /nfs/dbraw/zinc/22/51/98/987225198.db2.gz HHXZJUGBYMAFNR-DOMZBBRYSA-N -1 1 328.368 3.510 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1[O-] ZINC000190988434 1032435551 /nfs/dbraw/zinc/43/55/51/1032435551.db2.gz VPNPGEGBPOUOOZ-MRXNPFEDSA-N -1 1 340.810 3.765 20 30 EHEDMM CCOc1cc(C(=O)N2CCC(CCC#N)CC2)cc(Cl)c1[O-] ZINC000592821118 1032590086 /nfs/dbraw/zinc/59/00/86/1032590086.db2.gz ZUTQMVXWKURYFL-UHFFFAOYSA-N -1 1 336.819 3.600 20 30 EHEDMM C=C[C@@](C)(CCOC)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000188728055 1018271708 /nfs/dbraw/zinc/27/17/08/1018271708.db2.gz BVLAGNCGMSZQMB-HNNXBMFYSA-N -1 1 342.233 3.630 20 30 EHEDMM CNc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000047376780 1018752421 /nfs/dbraw/zinc/75/24/21/1018752421.db2.gz XISLUXLYGQDXMF-AWEZNQCLSA-N -1 1 346.346 3.675 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000614374026 1018888463 /nfs/dbraw/zinc/88/84/63/1018888463.db2.gz RPGLAGHZZCNSGU-INIZCTEOSA-N -1 1 342.782 3.561 20 30 EHEDMM CCCCc1nc2ccc(NC(=O)c3cc(O)cc(C#N)c3)cc2[nH]1 ZINC000614375276 1018890233 /nfs/dbraw/zinc/89/02/33/1018890233.db2.gz VYTFCRQFOSCWMF-UHFFFAOYSA-N -1 1 334.379 3.735 20 30 EHEDMM CCCCc1nc2cc(NC(=O)c3cc([O-])cc(C#N)c3)ccc2[nH]1 ZINC000614375276 1018890254 /nfs/dbraw/zinc/89/02/54/1018890254.db2.gz VYTFCRQFOSCWMF-UHFFFAOYSA-N -1 1 334.379 3.735 20 30 EHEDMM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000467081448 1021024100 /nfs/dbraw/zinc/02/41/00/1021024100.db2.gz ZQRINTRYAHSMFL-UHFFFAOYSA-N -1 1 344.436 3.784 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2F)C2CCCC2)o1 ZINC000561473714 1021026321 /nfs/dbraw/zinc/02/63/21/1021026321.db2.gz MYVUSCGPYZUFBW-QGZVFWFLSA-N -1 1 348.399 3.500 20 30 EHEDMM N#C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc(F)cc1 ZINC000436797198 1021238925 /nfs/dbraw/zinc/23/89/25/1021238925.db2.gz YUQVBXWMPSQSIN-ZDUSSCGKSA-N -1 1 338.260 3.545 20 30 EHEDMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3C)cc2s1 ZINC000427259038 1021264361 /nfs/dbraw/zinc/26/43/61/1021264361.db2.gz VOKKGCOVACWJDY-UHFFFAOYSA-N -1 1 343.433 3.586 20 30 EHEDMM COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])c(OC(F)F)c1 ZINC000255367976 1021576122 /nfs/dbraw/zinc/57/61/22/1021576122.db2.gz SOXUJFHDBDZQBU-UTCJRWHESA-N -1 1 336.290 3.604 20 30 EHEDMM CCSCc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000055912307 1021890522 /nfs/dbraw/zinc/89/05/22/1021890522.db2.gz UTEXQJGDXJVVEK-UHFFFAOYSA-N -1 1 330.335 3.713 20 30 EHEDMM COc1cc(C(=O)NC[C@](C)(O)C2CCCCC2)cc(Cl)c1[O-] ZINC000331099581 1022740622 /nfs/dbraw/zinc/74/06/22/1022740622.db2.gz CLDJCBZUUAXQKS-KRWDZBQOSA-N -1 1 341.835 3.690 20 30 EHEDMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000135394480 1022995942 /nfs/dbraw/zinc/99/59/42/1022995942.db2.gz QQQUMQGKANRNAS-UHFFFAOYSA-N -1 1 348.811 3.605 20 30 EHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000070431799 1024600954 /nfs/dbraw/zinc/60/09/54/1024600954.db2.gz LQBILYWQSXVGPG-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(CC#N)c1 ZINC000451111287 1025544332 /nfs/dbraw/zinc/54/43/32/1025544332.db2.gz SBMYYRABFWQPLK-UHFFFAOYSA-N -1 1 328.437 3.851 20 30 EHEDMM N#Cc1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1[O-] ZINC000442901341 1025585192 /nfs/dbraw/zinc/58/51/92/1025585192.db2.gz TYEIOAWJXIKDGQ-UHFFFAOYSA-N -1 1 344.798 3.506 20 30 EHEDMM CC(C)CN(Cc1ccccc1F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442937995 1025608644 /nfs/dbraw/zinc/60/86/44/1025608644.db2.gz DWYIAVLJUMOKQU-UHFFFAOYSA-N -1 1 326.371 3.701 20 30 EHEDMM CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442972414 1025633755 /nfs/dbraw/zinc/63/37/55/1025633755.db2.gz ZSPLZVKENFBXAG-UHFFFAOYSA-N -1 1 328.799 3.668 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1[O-] ZINC000443117277 1025733707 /nfs/dbraw/zinc/73/37/07/1025733707.db2.gz KDGBBXRIBAGURM-GOSISDBHSA-N -1 1 336.366 3.769 20 30 EHEDMM C=CCN(C(=O)c1cc(F)ccc1[O-])c1nc2c(s1)CCCC2 ZINC000436590663 1025930399 /nfs/dbraw/zinc/93/03/99/1025930399.db2.gz UIUFUGLLWVXAQS-UHFFFAOYSA-N -1 1 332.400 3.699 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000324032633 1026106553 /nfs/dbraw/zinc/10/65/53/1026106553.db2.gz BUQBMXOTBXCWAW-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)nc(C(F)F)n3C)n1 ZINC000342628262 1026518189 /nfs/dbraw/zinc/51/81/89/1026518189.db2.gz FSUYNPWBTHUAJQ-JTQLQIEISA-N -1 1 346.362 3.766 20 30 EHEDMM COc1cc(/C=C2\Cc3cc([O-])ccc3C2=O)cc(Cl)c1OC ZINC000588535021 1026796104 /nfs/dbraw/zinc/79/61/04/1026796104.db2.gz CRNQXHIMBHBVRM-LFYBBSHMSA-N -1 1 330.767 3.885 20 30 EHEDMM C=CCN(CC1CCCCC1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000069913853 1028447292 /nfs/dbraw/zinc/44/72/92/1028447292.db2.gz CIIYADOBXHGWGH-UHFFFAOYSA-N -1 1 325.412 3.544 20 30 EHEDMM N#CC(=C([O-])c1ccc2c(n1)CCCC2)c1cc(C(F)(F)F)ccn1 ZINC000583178132 1029138266 /nfs/dbraw/zinc/13/82/66/1029138266.db2.gz PEZGZZLJDGUPPO-ZDUSSCGKSA-N -1 1 345.324 3.864 20 30 EHEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1scnc1C1CC1 ZINC000179341618 1029867462 /nfs/dbraw/zinc/86/74/62/1029867462.db2.gz LKAPRHHESBKEBY-LBPRGKRZSA-N -1 1 345.811 3.635 20 30 EHEDMM N#CC(=C([O-])c1cc(F)cc(Cl)c1)c1cnc2ccccc2n1 ZINC000483191531 1031034086 /nfs/dbraw/zinc/03/40/86/1031034086.db2.gz BHYNPELIIIKKCH-ZDUSSCGKSA-N -1 1 325.730 3.912 20 30 EHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000063878740 1033802855 /nfs/dbraw/zinc/80/28/55/1033802855.db2.gz NBCCZUHFCSNZFB-UHFFFAOYSA-N -1 1 328.437 3.965 20 30 EHEDMM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255694049 1034221775 /nfs/dbraw/zinc/22/17/75/1034221775.db2.gz OBJCHHOOQBXJBI-KTKRTIGZSA-N -1 1 346.383 3.509 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2F)cc1[O-] ZINC000593830074 1034279831 /nfs/dbraw/zinc/27/98/31/1034279831.db2.gz WUPGZSWYXVGWRJ-KRWDZBQOSA-N -1 1 338.382 3.640 20 30 EHEDMM N#C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1c(Cl)cccc1Cl ZINC000613505040 1036142687 /nfs/dbraw/zinc/14/26/87/1036142687.db2.gz GDLLPJZDEIWLBV-GFCCVEGCSA-N -1 1 339.153 3.833 20 30 EHEDMM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190979998 1036313721 /nfs/dbraw/zinc/31/37/21/1036313721.db2.gz NRHXHPZYUNTGAN-CQSZACIVSA-N -1 1 326.359 3.910 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)n1 ZINC000041515306 1038962000 /nfs/dbraw/zinc/96/20/00/1038962000.db2.gz GNEHZCJGZOHVRU-NZVBXONLSA-N -1 1 339.420 3.536 20 30 EHEDMM C=C(C)CN(CC)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000055206572 1041191984 /nfs/dbraw/zinc/19/19/84/1041191984.db2.gz YIBMTNUDHULPNW-UHFFFAOYSA-N -1 1 344.484 3.731 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3nsnc3c2)n1 ZINC000542782510 1128610600 /nfs/dbraw/zinc/61/06/00/1128610600.db2.gz PUMMPHTUSKUTOI-JTQLQIEISA-N -1 1 328.422 3.761 20 30 EHEDMM N#Cc1ccc(CSCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445457849 1128655678 /nfs/dbraw/zinc/65/56/78/1128655678.db2.gz UFICSUCCZBZLKF-UHFFFAOYSA-N -1 1 341.367 3.886 20 30 EHEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000921821187 1128789798 /nfs/dbraw/zinc/78/97/98/1128789798.db2.gz OIADPVIGTFTSBD-UHFFFAOYSA-N -1 1 336.395 3.615 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1c(Cl)nc3sccn13)O2 ZINC000915989002 1122013788 /nfs/dbraw/zinc/01/37/88/1122013788.db2.gz SEQROVCCISLTEP-WDZFZDKYSA-N -1 1 332.768 3.679 20 30 EHEDMM C=C(C)C[C@H](C)C(=O)OCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000767698031 1133036316 /nfs/dbraw/zinc/03/63/16/1133036316.db2.gz ROQGQVQBUXMEGS-LBPRGKRZSA-N -1 1 330.380 3.707 20 30 EHEDMM CCCCCC(CCCCC)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769819911 1133343254 /nfs/dbraw/zinc/34/32/54/1133343254.db2.gz ZBRSOTNUFIPJRL-UHFFFAOYSA-N -1 1 332.452 3.997 20 30 EHEDMM C[C@]12C[C@@H]3C[C@](C(=O)N([O-])C(=N)c4ccccc4N)(C1)C[C@@](C)(C3)C2 ZINC001184497916 1133942597 /nfs/dbraw/zinc/94/25/97/1133942597.db2.gz GPQSRZMASOIVSK-FCZGVQRQSA-N -1 1 341.455 3.809 20 30 EHEDMM COC(=O)c1cc(Cl)ccc1C(=O)/C=C\c1ccc([O-])c(F)c1 ZINC000787176525 1133966979 /nfs/dbraw/zinc/96/69/79/1133966979.db2.gz CHEAIEGQANAJGN-KXFIGUGUSA-N -1 1 334.730 3.867 20 30 EHEDMM N#Cc1ccc(NC(=O)Nc2cccc(Br)c2)c([O-])c1 ZINC001187463733 1134337872 /nfs/dbraw/zinc/33/78/72/1134337872.db2.gz BTJJFKOXTWGTEF-UHFFFAOYSA-N -1 1 332.157 3.670 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1c(C)csc1C(=O)OC ZINC001187993467 1134409612 /nfs/dbraw/zinc/40/96/12/1134409612.db2.gz XKFZGQJINGXQHX-UHFFFAOYSA-N -1 1 347.502 3.945 20 30 EHEDMM N#Cc1c2ccccc2sc1[N-]C(=O)c1nnsc1C1CC1 ZINC001188083354 1134425694 /nfs/dbraw/zinc/42/56/94/1134425694.db2.gz NLVZEMIGOQVEMU-UHFFFAOYSA-N -1 1 326.406 3.754 20 30 EHEDMM CCCCCCCC[C@H](C)CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000775192147 1134500546 /nfs/dbraw/zinc/50/05/46/1134500546.db2.gz OMOBSBGJRLMMKC-JKSUJKDBSA-N -1 1 335.496 3.683 20 30 EHEDMM Cc1noc(-c2ccccc2)c1NC(=O)Nc1c([O-])cccc1C#N ZINC001190374625 1134693560 /nfs/dbraw/zinc/69/35/60/1134693560.db2.gz YHWLKUCNHGKDEC-UHFFFAOYSA-N -1 1 334.335 3.871 20 30 EHEDMM COc1ccccc1-c1ncc(/C=C2\Cc3cc([O-])ccc3C2=O)cn1 ZINC000792889087 1134814892 /nfs/dbraw/zinc/81/48/92/1134814892.db2.gz CWIQPPKZOJFKJG-OVCLIPMQSA-N -1 1 344.370 3.680 20 30 EHEDMM CCc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)cc(CC)c1C#N ZINC001193230618 1135119970 /nfs/dbraw/zinc/11/99/70/1135119970.db2.gz YCNBBQMGMQCKSC-UHFFFAOYSA-N -1 1 344.798 4.000 20 30 EHEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ncc(C#N)cc2Cl)c1 ZINC001195115968 1135371432 /nfs/dbraw/zinc/37/14/32/1135371432.db2.gz JLPBZMSQCSHSLZ-UHFFFAOYSA-N -1 1 335.816 3.531 20 30 EHEDMM O=C([O-])[C@@H]1C/C(=C\c2cc(F)c(O)c(F)c2)C(=O)c2ccccc21 ZINC000806560445 1135459365 /nfs/dbraw/zinc/45/93/65/1135459365.db2.gz LYCTXHMRKJDPBD-ZQNFCJTASA-N -1 1 330.286 3.509 20 30 EHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CC(F)(C4CC4)C3)c2)c1 ZINC001196298369 1135544402 /nfs/dbraw/zinc/54/44/02/1135544402.db2.gz UNWFGMAJYCLNEM-UHFFFAOYSA-N -1 1 336.366 3.505 20 30 EHEDMM CN(C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)c1ccccc1N ZINC001196318051 1135545342 /nfs/dbraw/zinc/54/53/42/1135545342.db2.gz BRXABAWDFRLQNI-UHFFFAOYSA-N -1 1 343.386 3.790 20 30 EHEDMM N#Cc1ccc(NC(=O)c2c(Cl)ccnc2C(F)(F)F)c([O-])c1 ZINC001197232531 1135660578 /nfs/dbraw/zinc/66/05/78/1135660578.db2.gz DLQOFDVZZDWXHX-UHFFFAOYSA-N -1 1 341.676 3.583 20 30 EHEDMM CCc1ccc([C@@H](C#N)[N-]C(=O)C(F)(F)c2ccc(F)cc2)cc1 ZINC000809258233 1135810593 /nfs/dbraw/zinc/81/05/93/1135810593.db2.gz OQCFLNRFZWERBD-MRXNPFEDSA-N -1 1 332.325 3.861 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccnc2)cc1C#N ZINC001201324220 1136007649 /nfs/dbraw/zinc/00/76/49/1136007649.db2.gz XORALTPNJNHESH-UHFFFAOYSA-N -1 1 349.415 3.730 20 30 EHEDMM O=C(/C=C\c1cn2ccc(Br)cc2n1)c1ccc([O-])cc1 ZINC000811685494 1136121765 /nfs/dbraw/zinc/12/17/65/1136121765.db2.gz UOZKHUJZUADUSZ-UTCJRWHESA-N -1 1 343.180 3.699 20 30 EHEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1sc(-c2ccccc2)nc1C ZINC000814681556 1136490232 /nfs/dbraw/zinc/49/02/32/1136490232.db2.gz RFTGEIFMIYAIAR-UHFFFAOYSA-N -1 1 339.424 3.759 20 30 EHEDMM Cc1ccc(C2N=NC(=S)N2N=Cc2cccc([O-])c2Cl)cc1 ZINC000814726759 1136495809 /nfs/dbraw/zinc/49/58/09/1136495809.db2.gz BLBIJCAYRVCPAO-UHFFFAOYSA-N -1 1 344.827 3.783 20 30 EHEDMM [O-]c1cccc(C=NNc2ccc(Br)nc2)c1Cl ZINC000814847712 1136515122 /nfs/dbraw/zinc/51/51/22/1136515122.db2.gz ZGSFGYQTISJHPG-UHFFFAOYSA-N -1 1 326.581 3.649 20 30 EHEDMM [O-]c1cccc(C=NNc2ccnc(Br)c2)c1Cl ZINC000814905787 1136523217 /nfs/dbraw/zinc/52/32/17/1136523217.db2.gz SDIJZOWDJJXAIN-UHFFFAOYSA-N -1 1 326.581 3.649 20 30 EHEDMM CC1CCN(c2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2)CC1 ZINC000776652774 1136523403 /nfs/dbraw/zinc/52/34/03/1136523403.db2.gz DEQSYFUJWZTSCY-UHFFFAOYSA-N -1 1 335.407 3.752 20 30 EHEDMM Cc1ccc(C)c2c1NC(=O)C2=NN=c1[n-]nc(-c2ccccc2)s1 ZINC000814949069 1136530737 /nfs/dbraw/zinc/53/07/37/1136530737.db2.gz SCYWVPNEEAMFMQ-UHFFFAOYSA-N -1 1 349.419 3.590 20 30 EHEDMM N#CC1(c2ccccc2F)CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144663599 1137324865 /nfs/dbraw/zinc/32/48/65/1137324865.db2.gz HHUYXLLYQNMITO-UHFFFAOYSA-N -1 1 346.352 3.867 20 30 EHEDMM C[C@@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1cccc(C#N)c1[O-] ZINC000866332940 1137346333 /nfs/dbraw/zinc/34/63/33/1137346333.db2.gz HBUCMODPVRGNOJ-LSDHHAIUSA-N -1 1 337.423 3.662 20 30 EHEDMM C[C@@H](Nc1ccc(N2CCSCC2)cc1)c1cccc(C#N)c1[O-] ZINC000866331866 1137346542 /nfs/dbraw/zinc/34/65/42/1137346542.db2.gz YBHFXXQXDWPHGO-CQSZACIVSA-N -1 1 339.464 3.990 20 30 EHEDMM Cc1cc(N[C@@H](C)c2cccc(C#N)c2[O-])ccc1N1CCOCC1 ZINC000866336961 1137347046 /nfs/dbraw/zinc/34/70/46/1137347046.db2.gz TZSSWDNEPXXBFG-HNNXBMFYSA-N -1 1 337.423 3.582 20 30 EHEDMM C=C(C)CO[N-]C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000846536824 1137355641 /nfs/dbraw/zinc/35/56/41/1137355641.db2.gz BQTYPMZUHSXSLS-GDBMZVCRSA-N -1 1 348.443 3.512 20 30 EHEDMM N#CC(C(=O)c1cccc(C(=O)[O-])c1)c1nc2cc(F)ccc2s1 ZINC000739073600 600127304 /nfs/dbraw/zinc/12/73/04/600127304.db2.gz DPJBGKQDUJYJGN-LBPRGKRZSA-N -1 1 340.335 3.624 20 30 EHEDMM CC(C)COc1ccccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826905415 601301885 /nfs/dbraw/zinc/30/18/85/601301885.db2.gz JJHZDJFXXCLFMT-IBGZPJMESA-N -1 1 338.407 3.509 20 30 EHEDMM CC(C)(CCC#N)CN1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000833456987 604551621 /nfs/dbraw/zinc/55/16/21/604551621.db2.gz GFVFVZHIOXOFIR-UHFFFAOYSA-N -1 1 325.412 3.554 20 30 EHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000460841919 1032077592 /nfs/dbraw/zinc/07/75/92/1032077592.db2.gz ITBKQTMZIQOJKL-UHFFFAOYSA-N -1 1 328.437 3.965 20 30 EHEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cnn(C2CCCC2)c1 ZINC000799884908 978845303 /nfs/dbraw/zinc/84/53/03/978845303.db2.gz MISJKMWIUPKSLO-UHFFFAOYSA-N -1 1 342.399 3.541 20 30 EHEDMM C=CC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C(C)C ZINC000728196688 1014942341 /nfs/dbraw/zinc/94/23/41/1014942341.db2.gz RUUFQRUYKCYEIX-UHFFFAOYSA-N -1 1 325.408 3.725 20 30 EHEDMM C=CC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C(C)C ZINC000728196688 1014942352 /nfs/dbraw/zinc/94/23/52/1014942352.db2.gz RUUFQRUYKCYEIX-UHFFFAOYSA-N -1 1 325.408 3.725 20 30 EHEDMM CC(=NNc1cccc(C(=O)[O-])c1F)c1cnn(C2CCCC2)c1 ZINC001589017386 985003243 /nfs/dbraw/zinc/00/32/43/985003243.db2.gz KBKWWXDEHSZAIF-UHFFFAOYSA-N -1 1 330.363 3.672 20 30 EHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000189870900 1016750773 /nfs/dbraw/zinc/75/07/73/1016750773.db2.gz KPKASCOHZPVEDT-JTQLQIEISA-N -1 1 334.297 3.774 20 30 EHEDMM C=CCCCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC001211617519 1032337487 /nfs/dbraw/zinc/33/74/87/1032337487.db2.gz TXXXKNVKHMEEKO-UHFFFAOYSA-N -1 1 341.782 3.993 20 30 EHEDMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000511256220 1032714541 /nfs/dbraw/zinc/71/45/41/1032714541.db2.gz DUGBCOHOALKNPC-UHFFFAOYSA-N -1 1 330.409 3.538 20 30 EHEDMM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614369915 1018866427 /nfs/dbraw/zinc/86/64/27/1018866427.db2.gz VDQWGCIQZKAOBQ-CYBMUJFWSA-N -1 1 348.406 3.685 20 30 EHEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)c1 ZINC000579508588 1018888673 /nfs/dbraw/zinc/88/86/73/1018888673.db2.gz WAYYHOXBVICTMN-UHFFFAOYSA-N -1 1 348.318 3.839 20 30 EHEDMM Cc1noc(C(F)F)c1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000610432203 1019091032 /nfs/dbraw/zinc/09/10/32/1019091032.db2.gz UNASFDRQNFYWQU-UHFFFAOYSA-N -1 1 337.351 3.985 20 30 EHEDMM COC(=O)c1sc(SC)c(C#N)c1Nc1ccc(F)c([O-])c1 ZINC001211214614 1019666304 /nfs/dbraw/zinc/66/63/04/1019666304.db2.gz GOTYNAPCWOFEJD-UHFFFAOYSA-N -1 1 338.385 3.717 20 30 EHEDMM N#CC(=C([O-])C=Cc1ccc2ccc(Cl)cc2n1)c1ccncn1 ZINC000760344024 1032883359 /nfs/dbraw/zinc/88/33/59/1032883359.db2.gz FLBKRDBFZZKJEH-LLYBFZRZSA-N -1 1 334.766 3.568 20 30 EHEDMM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000345376678 1020209828 /nfs/dbraw/zinc/20/98/28/1020209828.db2.gz OFPIFXZRDLXIEZ-CQSZACIVSA-N -1 1 329.363 3.546 20 30 EHEDMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc(C#N)cc1 ZINC000436764902 1021211893 /nfs/dbraw/zinc/21/18/93/1021211893.db2.gz VBFIVHLCWLKFNK-SNVBAGLBSA-N -1 1 334.297 3.774 20 30 EHEDMM COc1cc(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)cc(Cl)c1[O-] ZINC000331267826 1022772514 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20 30 EHEDMM N#Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1Cl ZINC000541774094 1036630533 /nfs/dbraw/zinc/63/05/33/1036630533.db2.gz KXQGAWDTUYHYBI-UHFFFAOYSA-N -1 1 338.754 3.560 20 30 EHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1F ZINC000102862340 1036736416 /nfs/dbraw/zinc/73/64/16/1036736416.db2.gz NLWPAEQWJRFODB-UHFFFAOYSA-N -1 1 326.352 3.651 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)C2CCCC2)o1 ZINC000553763718 1040432321 /nfs/dbraw/zinc/43/23/21/1040432321.db2.gz HUFBAZZAXQXFAK-KRWDZBQOSA-N -1 1 348.399 3.500 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)c1 ZINC000614293497 1040956324 /nfs/dbraw/zinc/95/63/24/1040956324.db2.gz KYQXYEYRJKLEDV-UHFFFAOYSA-N -1 1 339.351 3.779 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1C(F)(F)F ZINC000500361946 1041235202 /nfs/dbraw/zinc/23/52/02/1041235202.db2.gz SOWVJVBTGUWSFX-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM Cc1noc(C)c1[N-]C(=O)c1occc1COc1cccc(C#N)c1 ZINC000338651519 1127986173 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RIJVYWHDZVVGKK-UHFFFAOYSA-N -1 1 343.692 3.898 20 30 EHEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NC2CC3(CC3)C2)cc1 ZINC000814829857 1136512521 /nfs/dbraw/zinc/51/25/21/1136512521.db2.gz MNORNQFXIUFNRV-UHFFFAOYSA-N -1 1 341.436 3.829 20 30 EHEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2conc2CC)cc1 ZINC000860470398 1137061957 /nfs/dbraw/zinc/06/19/57/1137061957.db2.gz PAQHNDJYHSXVLH-OAHLLOKOSA-N -1 1 339.395 3.541 20 30 EHEDMM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001136667256 1137085982 /nfs/dbraw/zinc/08/59/82/1137085982.db2.gz WJOMDHJTFLTKAD-INIZCTEOSA-N -1 1 326.371 3.823 20 30 EHEDMM CCC(CC)(C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc(C)cs1 ZINC000845437156 1137291810 /nfs/dbraw/zinc/29/18/10/1137291810.db2.gz SOUPPIXARVXIMR-GFCCVEGCSA-N -1 1 336.457 3.776 20 30 EHEDMM CCC(CC)(C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc(C)cs1 ZINC000845437157 1137291889 /nfs/dbraw/zinc/29/18/89/1137291889.db2.gz SOUPPIXARVXIMR-LBPRGKRZSA-N -1 1 336.457 3.776 20 30 EHEDMM CC(C)(C)CN(CCC#N)C(=O)c1ccc(Br)cc1[O-] 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CN(Cc1ccc(F)cc1Cl)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737476616 600570335 /nfs/dbraw/zinc/57/03/35/600570335.db2.gz LKJDDNJFNWWZGE-INIZCTEOSA-N -1 1 332.762 3.608 20 30 EHEDMM CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccc(C(=O)[O-])c1C#N ZINC000833486255 604604516 /nfs/dbraw/zinc/60/45/16/604604516.db2.gz GDZYMTNSJMAEFQ-UHFFFAOYSA-N -1 1 347.418 3.786 20 30 EHEDMM O=C(C=Cc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826400140 948215620 /nfs/dbraw/zinc/21/56/20/948215620.db2.gz QHUIQFKZCWUZBF-SNAWJCMRSA-N -1 1 334.763 3.617 20 30 EHEDMM O=C(C=Cc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826400140 948215625 /nfs/dbraw/zinc/21/56/25/948215625.db2.gz QHUIQFKZCWUZBF-SNAWJCMRSA-N -1 1 334.763 3.617 20 30 EHEDMM N#Cc1ccc(CN2CCC(CCC(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC000595883589 974996127 /nfs/dbraw/zinc/99/61/27/974996127.db2.gz ZJTZYONHSLRGCK-UHFFFAOYSA-N -1 1 340.345 3.654 20 30 EHEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1ccc(N2CCC(O)CC2)cc1 ZINC000905070847 1032340573 /nfs/dbraw/zinc/34/05/73/1032340573.db2.gz BBTJYIDUBWVVPE-GHRIWEEISA-N -1 1 349.430 3.566 20 30 EHEDMM COCc1nc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)co1 ZINC000574136685 1032728396 /nfs/dbraw/zinc/72/83/96/1032728396.db2.gz NTBVOAKGGRRUOI-VHSXEESVSA-N -1 1 345.424 3.692 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000614365442 1018863873 /nfs/dbraw/zinc/86/38/73/1018863873.db2.gz FOMJBYKAXOVUSI-UHFFFAOYSA-N -1 1 326.783 3.726 20 30 EHEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1cccnc1Oc1ccccc1 ZINC000593193965 1032803227 /nfs/dbraw/zinc/80/32/27/1032803227.db2.gz COSBLIQJMLYTHV-UHFFFAOYSA-N -1 1 345.424 3.555 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2cc(C#N)cc(N(C)C)c2)n1 ZINC000345554859 1020356625 /nfs/dbraw/zinc/35/66/25/1020356625.db2.gz BRTGRHMHJYYBNP-OAHLLOKOSA-N -1 1 338.436 3.694 20 30 EHEDMM O=C([O-])c1ccc(CN=Nc2cccc(C(F)(F)F)n2)c(Cl)c1 ZINC000783845483 1032961425 /nfs/dbraw/zinc/96/14/25/1032961425.db2.gz IUVPIRSBVMNGLT-UHFFFAOYSA-N -1 1 343.692 3.898 20 30 EHEDMM CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 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347.292 3.715 20 30 EHEDMM CCSc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000610123822 1026793260 /nfs/dbraw/zinc/79/32/60/1026793260.db2.gz BXBOLXMNKUFBHN-UHFFFAOYSA-N -1 1 332.450 3.780 20 30 EHEDMM N#C[C@@H](C(=O)c1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046706983 1027479293 /nfs/dbraw/zinc/47/92/93/1027479293.db2.gz XGMZJKKMJJDTEI-ZDUSSCGKSA-N -1 1 349.415 3.766 20 30 EHEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC000060203526 1030463810 /nfs/dbraw/zinc/46/38/10/1030463810.db2.gz QFEONBQLVWXYSQ-GQCTYLIASA-N -1 1 343.766 3.898 20 30 EHEDMM N#CC1(c2ccc(CN[C@H](CC(=O)[O-])c3ccccc3F)cc2)CC1 ZINC000904046158 1031667338 /nfs/dbraw/zinc/66/73/38/1031667338.db2.gz WHCDSTPWKADHFR-GOSISDBHSA-N -1 1 338.382 3.686 20 30 EHEDMM CCc1cc(C#N)c([N-]C(=O)c2ncsc2C(F)(F)F)s1 ZINC000278637289 1031770582 /nfs/dbraw/zinc/77/05/82/1031770582.db2.gz NQTGOIWRFVMVEU-UHFFFAOYSA-N -1 1 331.344 3.910 20 30 EHEDMM N#CC(=C([O-])c1ccc2nsnc2c1)c1nc(C2CC2)cs1 ZINC000647379018 1034107038 /nfs/dbraw/zinc/10/70/38/1034107038.db2.gz VKIPTRPVUGMCIY-JTQLQIEISA-N -1 1 326.406 3.515 20 30 EHEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C)s2)cc1 ZINC000171566960 1034471406 /nfs/dbraw/zinc/47/14/06/1034471406.db2.gz OQPWNSJWYNXKMD-XHDPSFHLSA-N -1 1 341.436 3.926 20 30 EHEDMM Cc1ccc(CC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1C ZINC000557406896 1035678598 /nfs/dbraw/zinc/67/85/98/1035678598.db2.gz CMHSPOYTEZKAOY-UHFFFAOYSA-N -1 1 348.446 3.976 20 30 EHEDMM C[C@]1(CCc2ccccc2)CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589189521 1036298273 /nfs/dbraw/zinc/29/82/73/1036298273.db2.gz YLAYAAJKXDVKEL-NRFANRHFSA-N -1 1 334.419 3.749 20 30 EHEDMM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589189250 1036301240 /nfs/dbraw/zinc/30/12/40/1036301240.db2.gz QDQIJBXXRNRWON-AWEZNQCLSA-N -1 1 338.407 3.680 20 30 EHEDMM Cc1cc(C)c(C=Nn2c(=S)[n-]nc2SCc2ccccc2)[nH]1 ZINC000760241167 1036426636 /nfs/dbraw/zinc/42/66/36/1036426636.db2.gz JVRSXZQBEKKYCW-UHFFFAOYSA-N -1 1 343.481 3.686 20 30 EHEDMM O=C(/C=C\c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc([O-])cc1 ZINC000255919680 1037105763 /nfs/dbraw/zinc/10/57/63/1037105763.db2.gz LLWYIXMUDIPWGT-CLTKARDFSA-N -1 1 335.262 3.798 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1 ZINC000028260551 1039006306 /nfs/dbraw/zinc/00/63/06/1039006306.db2.gz ZDGKFQTZCGIIBC-UHFFFAOYSA-N -1 1 342.420 3.680 20 30 EHEDMM O=C(COc1ccc2ccccc2c1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029388893 1040567671 /nfs/dbraw/zinc/56/76/71/1040567671.db2.gz ARHXOIPXBUUVMI-UHFFFAOYSA-N -1 1 336.273 3.644 20 30 EHEDMM CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1OC(F)F ZINC000614294967 1040955315 /nfs/dbraw/zinc/95/53/15/1040955315.db2.gz BDZNUZDSTRFTAQ-OAHLLOKOSA-N -1 1 346.333 3.746 20 30 EHEDMM Cc1ccc2nc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)ccc2c1 ZINC000344644509 1044234426 /nfs/dbraw/zinc/23/44/26/1044234426.db2.gz YLUXPQBDWZKOBE-AWEZNQCLSA-N -1 1 326.359 3.910 20 30 EHEDMM CC(=NNCc1cnc2ccccc2c1)c1cc(F)cc(F)c1[O-] ZINC000764778122 1127533285 /nfs/dbraw/zinc/53/32/85/1127533285.db2.gz GNXIWRRAVOKRJJ-UHFFFAOYSA-N -1 1 327.334 3.732 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCCSC[C@H]2c2ccccc2)c1 ZINC000921640036 1127979114 /nfs/dbraw/zinc/97/91/14/1127979114.db2.gz DVMTWHGLWRPDTN-SFHVURJKSA-N -1 1 338.432 3.584 20 30 EHEDMM C[C@H](OCCc1ccccc1)C(=O)N([O-])Cc1ccccc1Cl ZINC001649045739 1127993048 /nfs/dbraw/zinc/99/30/48/1127993048.db2.gz BPANZGIQBVIAEQ-AWEZNQCLSA-N -1 1 333.815 3.706 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)s1 ZINC000230332905 1128697199 /nfs/dbraw/zinc/69/71/99/1128697199.db2.gz UNXDZASDBITLRO-UHFFFAOYSA-N -1 1 333.221 3.727 20 30 EHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccc4[nH]ccc4c3)nc1-2 ZINC000765948974 1128858759 /nfs/dbraw/zinc/85/87/59/1128858759.db2.gz PYRRRURVCVCDCB-SJDLMVEWSA-N -1 1 341.374 3.637 20 30 EHEDMM COc1ccc2oc(/C=C/C(=O)c3cc(C(=O)[O-])ccc3O)cc2c1 ZINC000763292321 1121945532 /nfs/dbraw/zinc/94/55/32/1121945532.db2.gz MOQDKPIYAOUIAE-ZZXKWVIFSA-N -1 1 338.315 3.741 20 30 EHEDMM [O-]c1ccc(C=NNCc2ccc(F)c(F)c2)cc1Br ZINC000915974548 1122001976 /nfs/dbraw/zinc/00/19/76/1122001976.db2.gz IHQPTSXCCUWCSZ-UHFFFAOYSA-N -1 1 341.155 3.557 20 30 EHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2-c2ccccc2)c(=O)o1 ZINC000917517681 1122624588 /nfs/dbraw/zinc/62/45/88/1122624588.db2.gz VSIFWEIMNIDWCE-YVNCXZRQSA-N -1 1 332.355 3.582 20 30 EHEDMM COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1OCCCC#N ZINC000064367208 1123586545 /nfs/dbraw/zinc/58/65/45/1123586545.db2.gz YPWREQZYUNYVRR-ONNFQVAWSA-N -1 1 337.375 3.979 20 30 EHEDMM CCc1c(NC(=O)c2cc([O-])cc(C#N)c2)cnn1-c1ccccc1C ZINC000616698363 1124025280 /nfs/dbraw/zinc/02/52/80/1124025280.db2.gz ZUHKCBSMEVOWIE-UHFFFAOYSA-N -1 1 346.390 3.573 20 30 EHEDMM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000618280656 1125041855 /nfs/dbraw/zinc/04/18/55/1125041855.db2.gz ARJQSTLLQDYRBX-INIZCTEOSA-N -1 1 348.324 3.996 20 30 EHEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461198 1125349986 /nfs/dbraw/zinc/34/99/86/1125349986.db2.gz TYNZMCWMQOZYLW-UHFFFAOYSA-N -1 1 328.437 3.896 20 30 EHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000114673771 1129179402 /nfs/dbraw/zinc/17/94/02/1129179402.db2.gz DVSOYCINCFUGCX-UHFFFAOYSA-N -1 1 344.436 3.593 20 30 EHEDMM COc1cc(/C=C2/Cc3cc([O-])ccc3C2=O)c(SC)cc1OC ZINC000187227404 1132424795 /nfs/dbraw/zinc/42/47/95/1132424795.db2.gz UOZIYDBRSSFDTM-QPEQYQDCSA-N -1 1 342.416 3.954 20 30 EHEDMM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc([O-])c(Cl)c1 ZINC000768784009 1133182715 /nfs/dbraw/zinc/18/27/15/1133182715.db2.gz KIAODNPBFPGKEX-UHFFFAOYSA-N -1 1 330.697 3.691 20 30 EHEDMM CCC[C@H](C)C(CC)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769809743 1133350232 /nfs/dbraw/zinc/35/02/32/1133350232.db2.gz GYZJOIWCHLEMBX-NSHDSACASA-N -1 1 332.452 3.901 20 30 EHEDMM CC(C)Cc1ccc([C@@H](C)C(=O)N([O-])C(=N)c2ccccc2N)cc1 ZINC001180904480 1133425967 /nfs/dbraw/zinc/42/59/67/1133425967.db2.gz WHSJGQKIRFOWHZ-CQSZACIVSA-N -1 1 339.439 3.814 20 30 EHEDMM COc1c(Br)cccc1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000774114479 1133612661 /nfs/dbraw/zinc/61/26/61/1133612661.db2.gz LXSYGMDOZBGIAB-AUWJEWJLSA-N -1 1 347.164 3.780 20 30 EHEDMM COC(=O)c1cc(Cl)ccc1C(=O)/C=C/c1ccc([O-])c(F)c1 ZINC000787176528 1133966602 /nfs/dbraw/zinc/96/66/02/1133966602.db2.gz CHEAIEGQANAJGN-QHHAFSJGSA-N -1 1 334.730 3.867 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)ccc1Cl ZINC001185529904 1134103838 /nfs/dbraw/zinc/10/38/38/1134103838.db2.gz NRIQNVJUYPMXQF-UHFFFAOYSA-N -1 1 338.791 3.768 20 30 EHEDMM N#Cc1c2ccccc2sc1NC(=O)c1ncc(C(F)(F)F)[n-]1 ZINC001188280419 1134449639 /nfs/dbraw/zinc/44/96/39/1134449639.db2.gz GMTFMFNWFFWRIL-UHFFFAOYSA-N -1 1 336.298 3.767 20 30 EHEDMM N#Cc1c2ccccc2sc1NC(=O)c1nc(C(F)(F)F)c[n-]1 ZINC001188280419 1134449641 /nfs/dbraw/zinc/44/96/41/1134449641.db2.gz GMTFMFNWFFWRIL-UHFFFAOYSA-N -1 1 336.298 3.767 20 30 EHEDMM Cc1cccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)c1C#N ZINC001188688171 1134494654 /nfs/dbraw/zinc/49/46/54/1134494654.db2.gz DVBPZIUPMNTHTG-ZDUSSCGKSA-N -1 1 348.390 3.512 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(F)cc1Cl ZINC001190656214 1134733628 /nfs/dbraw/zinc/73/36/28/1134733628.db2.gz VMDKRISFCDXSEV-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM N#Cc1c(F)ccc([N-]C(=O)c2nc(C(F)(F)F)cs2)c1F ZINC001192457450 1135022721 /nfs/dbraw/zinc/02/27/21/1135022721.db2.gz BUKBRXPETXRDTL-UHFFFAOYSA-N -1 1 333.241 3.564 20 30 EHEDMM COc1cccc(NC(=O)c2ccc([O-])cc2C(F)(F)F)c1C#N ZINC001193748165 1135182108 /nfs/dbraw/zinc/18/21/08/1135182108.db2.gz QHSXWMUDAUBPMX-UHFFFAOYSA-N -1 1 336.269 3.544 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C#N)c2)c2ccccc12 ZINC001193865322 1135198516 /nfs/dbraw/zinc/19/85/16/1135198516.db2.gz ZAGOZGIUXLVLQT-UHFFFAOYSA-N -1 1 347.399 3.692 20 30 EHEDMM C#CCN(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000804831596 1135205091 /nfs/dbraw/zinc/20/50/91/1135205091.db2.gz OGLLFLOKJRSTPG-UHFFFAOYSA-N -1 1 333.309 3.687 20 30 EHEDMM O=C([O-])c1ccc(C(=O)/C=C\c2nc3ccc(F)cc3s2)c(O)c1 ZINC000806559278 1135458908 /nfs/dbraw/zinc/45/89/08/1135458908.db2.gz YLMYEEKALWLDSN-WAYWQWQTSA-N -1 1 343.335 3.735 20 30 EHEDMM O=C([O-])[C@H]1C/C(=C/c2cc(F)c(O)c(F)c2)C(=O)c2ccccc21 ZINC000806560444 1135459694 /nfs/dbraw/zinc/45/96/94/1135459694.db2.gz LYCTXHMRKJDPBD-PRFOUVDFSA-N -1 1 330.286 3.509 20 30 EHEDMM N#Cc1c(F)ccc([N-]C(=O)c2snc(Cl)c2Cl)c1F ZINC001196342280 1135548422 /nfs/dbraw/zinc/54/84/22/1135548422.db2.gz STVLJSAVPFHMMW-UHFFFAOYSA-N -1 1 334.134 3.852 20 30 EHEDMM COc1ccnc(F)c1C(=O)[N-]c1sc2ccccc2c1C#N ZINC001197136368 1135649002 /nfs/dbraw/zinc/64/90/02/1135649002.db2.gz ZGVOQYYYVFGWCK-UHFFFAOYSA-N -1 1 327.340 3.568 20 30 EHEDMM N#Cc1cccc(NC(=S)Nc2c([O-])cccc2Br)c1 ZINC001197712416 1135729596 /nfs/dbraw/zinc/72/95/96/1135729596.db2.gz KKAUFPXAEUPNRD-UHFFFAOYSA-N -1 1 348.225 3.835 20 30 EHEDMM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ocnc1C1CC1 ZINC000808979558 1135762003 /nfs/dbraw/zinc/76/20/03/1135762003.db2.gz KACBKYGUTIBTSD-HNNXBMFYSA-N -1 1 345.358 3.666 20 30 EHEDMM COCCOCc1ccc(/C=C\C(=O)c2cc(C)ccc2[O-])cc1 ZINC000809157935 1135791933 /nfs/dbraw/zinc/79/19/33/1135791933.db2.gz PCXFNLXYBXXBDW-NTMALXAHSA-N -1 1 326.392 3.760 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)cc1C#N ZINC001201317419 1136006669 /nfs/dbraw/zinc/00/66/69/1136006669.db2.gz RWPSKMXIXJPZNU-UHFFFAOYSA-N -1 1 349.415 3.730 20 30 EHEDMM C#CCO[N-]C(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc(C)c(C)c1)(C3)C2 ZINC000812781993 1136246382 /nfs/dbraw/zinc/24/63/82/1136246382.db2.gz LJARIHQPAAUYMQ-OTXOEQGISA-N -1 1 337.463 3.822 20 30 EHEDMM CCON=C(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814788275 1136504782 /nfs/dbraw/zinc/50/47/82/1136504782.db2.gz LRJFYMMFRSVQNV-UHFFFAOYSA-N -1 1 332.425 3.556 20 30 EHEDMM CC(C)(C)n1ncc2c1[n-]c(NN=C1[C@@H]3CCC[C@@H]3C1(C)C)nc2=O ZINC000853305729 1136525122 /nfs/dbraw/zinc/52/51/22/1136525122.db2.gz BRUWWWVWHXDVMI-PWSUYJOCSA-N -1 1 342.447 3.511 20 30 EHEDMM CC(=NNc1nc2ccccc2s1)c1cc(C(=O)[O-])c(C)nc1C ZINC000776722064 1136598979 /nfs/dbraw/zinc/59/89/79/1136598979.db2.gz MQSGCFPBNOBSRG-UHFFFAOYSA-N -1 1 340.408 3.842 20 30 EHEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)oc2C)cc1 ZINC000815909890 1136646842 /nfs/dbraw/zinc/64/68/42/1136646842.db2.gz KTEMYGJGEKUNIY-BZNIZROVSA-N -1 1 339.395 3.766 20 30 EHEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)oc2C)cc1 ZINC000815908347 1136646970 /nfs/dbraw/zinc/64/69/70/1136646970.db2.gz ZAVCBXKRHDTVLU-MRXNPFEDSA-N -1 1 339.395 3.595 20 30 EHEDMM C[C@@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1cccc(C#N)c1[O-] ZINC000866334243 1137346671 /nfs/dbraw/zinc/34/66/71/1137346671.db2.gz VJMOIZBBIDRWNZ-LSDHHAIUSA-N -1 1 337.423 3.662 20 30 EHEDMM O=C(/C=C/c1c(F)cccc1Br)c1cc(O)ccc1[O-] ZINC000794941206 1137373433 /nfs/dbraw/zinc/37/34/33/1137373433.db2.gz KPSZSYHSTFSSQG-FNORWQNLSA-N -1 1 337.144 3.896 20 30 EHEDMM [O-]c1cccc(C=NNC[C@@H]2CCCC2(F)F)c1Br ZINC000872405670 1137579478 /nfs/dbraw/zinc/57/94/78/1137579478.db2.gz PXKSXZZUFIKJQX-JTQLQIEISA-N -1 1 333.176 3.514 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc(O)c1C ZINC000882781731 1137834154 /nfs/dbraw/zinc/83/41/54/1137834154.db2.gz VQIWOHNCXHEXTC-UHFFFAOYSA-N -1 1 344.436 3.611 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)cc1[O-] ZINC000333355606 1138280607 /nfs/dbraw/zinc/28/06/07/1138280607.db2.gz SKPCJQDWZBSVPF-QFIPXVFZSA-N -1 1 346.430 3.774 20 30 EHEDMM CCCCCCCCC(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889795592 1139269183 /nfs/dbraw/zinc/26/91/83/1139269183.db2.gz ZLKHZOMOXVHCOE-AWEZNQCLSA-N -1 1 335.448 3.605 20 30 EHEDMM C=CCn1c(-c2sc(NC(=O)[C@@H](C)C3CC3)nc2C)n[n-]c1=S ZINC000175321584 1139482177 /nfs/dbraw/zinc/48/21/77/1139482177.db2.gz LQBMJAHQUJZJOZ-QMMMGPOBSA-N -1 1 349.485 3.543 20 30 EHEDMM C(=NN(Cc1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)o1 ZINC000819719121 599329039 /nfs/dbraw/zinc/32/90/39/599329039.db2.gz ZXMRXRFPZIZQEQ-UHFFFAOYSA-N -1 1 344.378 3.500 20 30 EHEDMM C(=NN(Cc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC000819719121 599329040 /nfs/dbraw/zinc/32/90/40/599329040.db2.gz ZXMRXRFPZIZQEQ-UHFFFAOYSA-N -1 1 344.378 3.500 20 30 EHEDMM Cc1c2cc(C(C)N=Nc3ccc(F)cn3)cnc2sc1C(=O)[O-] ZINC000736126657 599968652 /nfs/dbraw/zinc/96/86/52/599968652.db2.gz QGRFLVSATCIVOK-UHFFFAOYSA-N -1 1 344.371 3.673 20 30 EHEDMM N#Cc1ccc([C@@H](NCc2ccc(Cl)cc2Cl)C(=O)[O-])cc1 ZINC000739105372 600590694 /nfs/dbraw/zinc/59/06/94/600590694.db2.gz GKCVRJQJHHVWFY-OAHLLOKOSA-N -1 1 335.190 3.781 20 30 EHEDMM C=CCN(Cc1cccs1)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833374234 604521744 /nfs/dbraw/zinc/52/17/44/604521744.db2.gz CYMQYFJIUWWYOS-CQSZACIVSA-N -1 1 331.437 3.788 20 30 EHEDMM O=C([O-])c1ccccc1N=NCc1cccc(OCc2ccccn2)c1 ZINC000833783732 605101958 /nfs/dbraw/zinc/10/19/58/605101958.db2.gz IDEVTSRKRHBRCT-UHFFFAOYSA-N -1 1 347.374 3.805 20 30 EHEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(NC(=O)[O-])c(C)c3)[nH]c21 ZINC000829904903 605421204 /nfs/dbraw/zinc/42/12/04/605421204.db2.gz VLYKBZYARBWOMV-ZDUSSCGKSA-N -1 1 348.362 3.760 20 30 EHEDMM Cc1oc2ccccc2c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826342619 608091868 /nfs/dbraw/zinc/09/18/68/608091868.db2.gz SMYCYKBAZLBAHX-SREVYHEPSA-N -1 1 336.376 3.879 20 30 EHEDMM Cc1oc2ccccc2c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826342619 608091869 /nfs/dbraw/zinc/09/18/69/608091869.db2.gz SMYCYKBAZLBAHX-SREVYHEPSA-N -1 1 336.376 3.879 20 30 EHEDMM CC[C@H]1CCC[C@H](CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC000825193815 947112590 /nfs/dbraw/zinc/11/25/90/947112590.db2.gz NWZFKNBOUIEGKT-RYUDHWBXSA-N -1 1 331.424 3.592 20 30 EHEDMM C=CCN(Cc1ccc(C2(C(=O)[O-])CC2)cc1)Cc1cccc(C#N)c1 ZINC001588829239 984312350 /nfs/dbraw/zinc/31/23/50/984312350.db2.gz LLDUQXMFLQYMCG-UHFFFAOYSA-N -1 1 346.430 3.863 20 30 EHEDMM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000190992109 1032435841 /nfs/dbraw/zinc/43/58/41/1032435841.db2.gz ADIHVOTUQIZCFR-LJQANCHMSA-N -1 1 334.419 3.674 20 30 EHEDMM Cc1nc(SCc2ccc(C#N)cc2OC(F)F)[n-]c(=O)c1C ZINC000537414508 1032716179 /nfs/dbraw/zinc/71/61/79/1032716179.db2.gz NCYVHHZRFPWIRX-UHFFFAOYSA-N -1 1 337.351 3.564 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NC(c2cccs2)c2cccs2)c1 ZINC000614369699 1018867254 /nfs/dbraw/zinc/86/72/54/1018867254.db2.gz RAKFOKQDVTUSFA-UHFFFAOYSA-N -1 1 340.429 3.906 20 30 EHEDMM CCc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593188962 1032798881 /nfs/dbraw/zinc/79/88/81/1032798881.db2.gz SUTPQHHCWOUVLZ-UHFFFAOYSA-N -1 1 328.437 3.851 20 30 EHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1C ZINC000593188130 1032824945 /nfs/dbraw/zinc/82/49/45/1032824945.db2.gz VZUZLRSHMLKEDA-UHFFFAOYSA-N -1 1 328.437 3.905 20 30 EHEDMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000340891287 1020551783 /nfs/dbraw/zinc/55/17/83/1020551783.db2.gz GVXIYIRYIMGLRL-OAQYLSRUSA-N -1 1 334.419 3.848 20 30 EHEDMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2c1C ZINC000427300389 1021291975 /nfs/dbraw/zinc/29/19/75/1021291975.db2.gz DFGFGTQNMIGIJI-UHFFFAOYSA-N -1 1 344.367 3.861 20 30 EHEDMM C=CCCCCCN(C)C(=O)c1cc(Br)ccc1[O-] ZINC000436888737 1021342003 /nfs/dbraw/zinc/34/20/03/1021342003.db2.gz OJDXFTJKEWZKSD-UHFFFAOYSA-N -1 1 326.234 3.973 20 30 EHEDMM CCOc1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000255427613 1023909386 /nfs/dbraw/zinc/90/93/86/1023909386.db2.gz QVMRCZYWEGRDNZ-UTCJRWHESA-N -1 1 331.299 3.734 20 30 EHEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000439246623 1024060244 /nfs/dbraw/zinc/06/02/44/1024060244.db2.gz LQVXASJNGWDPKS-UHFFFAOYSA-N -1 1 337.404 3.554 20 30 EHEDMM CN1C(=O)CCc2cc(/C=C3\CCc4cc([O-])ccc4C3=O)ccc21 ZINC000588508966 1025645337 /nfs/dbraw/zinc/64/53/37/1025645337.db2.gz ZFEJIJSHUPMLDF-LFIBNONCSA-N -1 1 333.387 3.514 20 30 EHEDMM C=CCC(C)(C)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436538670 1025864737 /nfs/dbraw/zinc/86/47/37/1025864737.db2.gz IOTRTBKFOZTBJA-UHFFFAOYSA-N -1 1 344.455 3.996 20 30 EHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000443416390 1026007375 /nfs/dbraw/zinc/00/73/75/1026007375.db2.gz JTKOYVDDARGJJZ-UHFFFAOYSA-N -1 1 335.400 3.754 20 30 EHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000443421488 1026017985 /nfs/dbraw/zinc/01/79/85/1026017985.db2.gz XQXILEZRCLLBFH-UHFFFAOYSA-N -1 1 326.421 3.786 20 30 EHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc4ccccc43)nc1-2 ZINC000429594652 1028201151 /nfs/dbraw/zinc/20/11/51/1028201151.db2.gz VIUWHDCXAYZPDM-LBPRGKRZSA-N -1 1 332.388 3.971 20 30 EHEDMM COc1cc(OC)c(OC)cc1/C=C\C(=O)c1cc(C)ccc1[O-] ZINC000757467898 1029589206 /nfs/dbraw/zinc/58/92/06/1029589206.db2.gz NEOHNWFQDWQGSA-VURMDHGXSA-N -1 1 328.364 3.623 20 30 EHEDMM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000529945307 1034810040 /nfs/dbraw/zinc/81/00/40/1034810040.db2.gz YULURVGSJZIHIK-KRWDZBQOSA-N -1 1 338.382 3.811 20 30 EHEDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000180176279 1036055344 /nfs/dbraw/zinc/05/53/44/1036055344.db2.gz KNRWSIQNLCZLFV-UHFFFAOYSA-N -1 1 338.841 3.734 20 30 EHEDMM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589189613 1036298026 /nfs/dbraw/zinc/29/80/26/1036298026.db2.gz LTEIBTJCHJVCCC-UXHICEINSA-N -1 1 334.419 3.981 20 30 EHEDMM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000541888427 1036763727 /nfs/dbraw/zinc/76/37/27/1036763727.db2.gz IACWPSPHVGGSSG-QGZVFWFLSA-N -1 1 344.798 3.959 20 30 EHEDMM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442961709 1036776228 /nfs/dbraw/zinc/77/62/28/1036776228.db2.gz JDUGZNWMCASVMC-SNVBAGLBSA-N -1 1 349.217 3.932 20 30 EHEDMM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442978634 1036790863 /nfs/dbraw/zinc/79/08/63/1036790863.db2.gz YJGOPCCLYJRMGK-UHFFFAOYSA-N -1 1 328.799 3.968 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000590452361 1036886582 /nfs/dbraw/zinc/88/65/82/1036886582.db2.gz REPHVOSVTRELCJ-CYBMUJFWSA-N -1 1 332.812 3.786 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000590494314 1036901546 /nfs/dbraw/zinc/90/15/46/1036901546.db2.gz BFXLSIKXBUUHPC-AWEZNQCLSA-N -1 1 326.783 3.547 20 30 EHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c1 ZINC000028260545 1039005643 /nfs/dbraw/zinc/00/56/43/1039005643.db2.gz RGOXSSASNGRPQT-UHFFFAOYSA-N -1 1 342.420 3.680 20 30 EHEDMM C=C[C@@H](CCC(=O)[O-])NCc1cc(Cl)ccc1Br ZINC000417604389 1040054464 /nfs/dbraw/zinc/05/44/64/1040054464.db2.gz BRHFMIHCRGZXBW-NSHDSACASA-N -1 1 332.625 3.612 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NCC(c2ccccc2)c2ccccc2)c1 ZINC000614293291 1040953687 /nfs/dbraw/zinc/95/36/87/1040953687.db2.gz HOOPQLRJOKFRAL-UHFFFAOYSA-N -1 1 342.398 3.826 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](CSc3ccccc3)C2)c1 ZINC000614300812 1040968532 /nfs/dbraw/zinc/96/85/32/1040968532.db2.gz UWBSOLADZVVQBZ-AWEZNQCLSA-N -1 1 338.432 3.518 20 30 EHEDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)s1 ZINC000225226889 1128496558 /nfs/dbraw/zinc/49/65/58/1128496558.db2.gz JYMQRIATEUFPRP-UHFFFAOYSA-N -1 1 326.830 3.636 20 30 EHEDMM Cc1nc(-c2ccc(N[C@H](C)c3ccc(C#N)cc3)nc2)[n-]c(=O)c1C ZINC000301388583 1128589259 /nfs/dbraw/zinc/58/92/59/1128589259.db2.gz YOCQTJIFLTVNCQ-CQSZACIVSA-N -1 1 345.406 3.906 20 30 EHEDMM [O-]c1c(Br)cccc1CN=Nc1nncc2ccccc21 ZINC000915938103 1121996191 /nfs/dbraw/zinc/99/61/91/1121996191.db2.gz QHSCAYWPLIMYFC-UHFFFAOYSA-N -1 1 343.184 3.544 20 30 EHEDMM O=C1c2cccc(F)c2OC/C1=C\c1ccc([O-])c(Br)c1 ZINC000921265897 1123502200 /nfs/dbraw/zinc/50/22/00/1123502200.db2.gz GAKXNSMJABTWAG-UXBLZVDNSA-N -1 1 349.155 3.953 20 30 EHEDMM CSCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000610123983 1123737146 /nfs/dbraw/zinc/73/71/46/1123737146.db2.gz NEFOPORFQYRLKO-UHFFFAOYSA-N -1 1 332.450 3.531 20 30 EHEDMM COc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)c(SC)cc1OC ZINC000741164845 1131581792 /nfs/dbraw/zinc/58/17/92/1131581792.db2.gz BFZVFPAGRZZRHN-FRKPEAEDSA-N -1 1 344.388 3.748 20 30 EHEDMM N#Cc1cc([N-]C(=O)c2c(F)cccc2F)c(Cl)c([N+](=O)[O-])c1 ZINC000746482154 1132559991 /nfs/dbraw/zinc/55/99/91/1132559991.db2.gz PIYNNCLFGVONLD-UHFFFAOYSA-N -1 1 337.669 3.650 20 30 EHEDMM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1c(F)ccc([O-])c1F ZINC001175262776 1132621340 /nfs/dbraw/zinc/62/13/40/1132621340.db2.gz KSMQFBAYPCJQAQ-UHFFFAOYSA-N -1 1 330.269 3.610 20 30 EHEDMM CCCCCC[C@H]1CCCC1=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769818221 1133343210 /nfs/dbraw/zinc/34/32/10/1133343210.db2.gz HOCADPNMCRMNBN-LBPRGKRZSA-N -1 1 330.436 3.607 20 30 EHEDMM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000785500779 1133714259 /nfs/dbraw/zinc/71/42/59/1133714259.db2.gz QUSHVRXDRLWBKK-UHFFFAOYSA-N -1 1 348.324 3.945 20 30 EHEDMM N#Cc1cc(NCc2ncc(Br)cc2[O-])ccc1C1CC1 ZINC001183521067 1133813225 /nfs/dbraw/zinc/81/32/25/1133813225.db2.gz VOIHDKMOJOBJBG-UHFFFAOYSA-N -1 1 344.212 3.911 20 30 EHEDMM C[C@@H](Oc1cccc(CN=Nc2cccc(Cl)c2F)c1)C(=O)[O-] ZINC000746679335 1133999747 /nfs/dbraw/zinc/99/97/47/1133999747.db2.gz DDBGBAZCPUWITG-SNVBAGLBSA-N -1 1 336.750 3.777 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1Cl ZINC001185525329 1134102997 /nfs/dbraw/zinc/10/29/97/1134102997.db2.gz XYCUMYRVYNPYQO-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM Cc1cccc([O-])c1C(=O)Nc1ccc(N2CCCCC2)c(C#N)c1 ZINC001188649083 1134487405 /nfs/dbraw/zinc/48/74/05/1134487405.db2.gz QRYWCNWUSUJJTB-UHFFFAOYSA-N -1 1 335.407 3.815 20 30 EHEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1 ZINC001189389519 1134578928 /nfs/dbraw/zinc/57/89/28/1134578928.db2.gz KYRCMABYTMAOOJ-UHFFFAOYSA-N -1 1 340.379 3.846 20 30 EHEDMM N#Cc1ccc(NC(=O)NCc2ccc(Cl)cc2Cl)c([O-])c1 ZINC001190099095 1134655828 /nfs/dbraw/zinc/65/58/28/1134655828.db2.gz XDDUWSMPJGEPCZ-UHFFFAOYSA-N -1 1 336.178 3.892 20 30 EHEDMM C=C(C)CN(Cc1ccccc1)C(=O)c1nnc2ccccc2c1O ZINC000792530008 1134694055 /nfs/dbraw/zinc/69/40/55/1134694055.db2.gz FCSFBHXRDJVIPN-UHFFFAOYSA-N -1 1 333.391 3.554 20 30 EHEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC001190650733 1134732914 /nfs/dbraw/zinc/73/29/14/1134732914.db2.gz KWBJGMKOLMFLBY-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM N#CCc1cc2ccccc2c(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170320505 1134746205 /nfs/dbraw/zinc/74/62/05/1134746205.db2.gz DTZWZZJMIXJKDI-UHFFFAOYSA-N -1 1 332.359 3.612 20 30 EHEDMM C=CCC1(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2F)CC1 ZINC001190772992 1134749936 /nfs/dbraw/zinc/74/99/36/1134749936.db2.gz OGVAOQPDEHUWRU-UHFFFAOYSA-N -1 1 348.399 3.863 20 30 EHEDMM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC001191698172 1134908298 /nfs/dbraw/zinc/90/82/98/1134908298.db2.gz VZAXKFJAGYDAMV-UHFFFAOYSA-N -1 1 348.399 3.630 20 30 EHEDMM CCCCCCC[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001192830190 1135059935 /nfs/dbraw/zinc/05/99/35/1135059935.db2.gz WHRZLXKTFDZLQO-UHFFFAOYSA-N -1 1 325.261 3.637 20 30 EHEDMM COc1ccnc(C(=O)Nc2ccccc2-c2ccc(C#N)cc2)c1[O-] ZINC001193531207 1135144902 /nfs/dbraw/zinc/14/49/02/1135144902.db2.gz HXPBSIQDNAYUGU-UHFFFAOYSA-N -1 1 345.358 3.587 20 30 EHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3ccccc3CO)c2)c1 ZINC001196318775 1135545670 /nfs/dbraw/zinc/54/56/70/1135545670.db2.gz LSJHOBXWOWETJK-UHFFFAOYSA-N -1 1 344.370 3.675 20 30 EHEDMM N#Cc1ccc(-c2ccc(C(=O)[N-]c3nnc(-c4ccco4)o3)o2)cc1 ZINC001197386121 1135682457 /nfs/dbraw/zinc/68/24/57/1135682457.db2.gz DVALXZAGGMFWFE-UHFFFAOYSA-N -1 1 346.302 3.714 20 30 EHEDMM N#Cc1ccc(NC(=O)c2ccnc(Cl)c2C(F)(F)F)c([O-])c1 ZINC001197791085 1135738224 /nfs/dbraw/zinc/73/82/24/1135738224.db2.gz IDNOYJWVDJGPDQ-UHFFFAOYSA-N -1 1 341.676 3.583 20 30 EHEDMM Cc1nc(-c2ccccc2)sc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000776644714 1136512442 /nfs/dbraw/zinc/51/24/42/1136512442.db2.gz DTAJGBHIXWNXIT-UHFFFAOYSA-N -1 1 349.415 3.626 20 30 EHEDMM COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c(F)cc1O ZINC000816490924 1136724304 /nfs/dbraw/zinc/72/43/04/1136724304.db2.gz PNPGIVPORSVMBJ-UHFFFAOYSA-N -1 1 348.805 3.705 20 30 EHEDMM CC(C)[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000824983635 1137161011 /nfs/dbraw/zinc/16/10/11/1137161011.db2.gz LOTFLAQGKGDPIY-ZDUSSCGKSA-N -1 1 345.187 3.595 20 30 EHEDMM C=C(C)C[C@@H](NCc1csc(COc2ccc(C)cc2)n1)C(=O)[O-] ZINC000864530027 1137232848 /nfs/dbraw/zinc/23/28/48/1137232848.db2.gz QUOCFVSEIQPSIW-MRXNPFEDSA-N -1 1 346.452 3.540 20 30 EHEDMM 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348.819 3.868 20 30 EHEDMM N#Cc1ccc2nc(NC(=O)c3cc(Cl)cc(Cl)c3[O-])[nH]c2c1 ZINC001169198704 1132688954 /nfs/dbraw/zinc/68/89/54/1132688954.db2.gz DXUCPQPQZRUMAQ-UHFFFAOYSA-N -1 1 347.161 3.699 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc1[O-] ZINC001176357284 1132920082 /nfs/dbraw/zinc/92/00/82/1132920082.db2.gz LGCWPMHKEMRWOG-LSDHHAIUSA-N -1 1 346.308 3.569 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C\c2cn(C)nc2-c2cccs2)c1 ZINC000769611152 1133321532 /nfs/dbraw/zinc/32/15/32/1133321532.db2.gz WHYLFCKZLOBAIW-ALCCZGGFSA-N -1 1 340.404 3.759 20 30 EHEDMM C#CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccccc1 ZINC000785618272 1133733007 /nfs/dbraw/zinc/73/30/07/1133733007.db2.gz VCNRWHXSHRVETD-OAHLLOKOSA-N -1 1 329.783 3.549 20 30 EHEDMM Cc1cc(C(F)(F)C(=O)N([O-])Cc2ccc(F)cc2)cnc1Cl ZINC001184347899 1133930332 /nfs/dbraw/zinc/93/03/32/1133930332.db2.gz IJLAXYODELLYME-UHFFFAOYSA-N -1 1 344.720 3.692 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C#N)c2)ccc1Cl ZINC001185529592 1134103857 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C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247266 1135118084 /nfs/dbraw/zinc/11/80/84/1135118084.db2.gz RGJQXRYFIPWULS-LLVKDONJSA-N -1 1 347.798 3.807 20 30 EHEDMM N#Cc1ccccc1NC(=S)Nc1nc2c(cccc2[O-])s1 ZINC001196285475 1135543134 /nfs/dbraw/zinc/54/31/34/1135543134.db2.gz QGDUGEXCVWBUEJ-UHFFFAOYSA-N -1 1 326.406 3.682 20 30 EHEDMM CC(C)C[C@@H](C#N)NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196330507 1135546751 /nfs/dbraw/zinc/54/67/51/1135546751.db2.gz SAJAQAZHHJSPGP-SFHVURJKSA-N -1 1 333.391 3.599 20 30 EHEDMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(F)c1F ZINC001196680354 1135592660 /nfs/dbraw/zinc/59/26/60/1135592660.db2.gz JKTUGEBUQIWHGH-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM N#Cc1ccc(NC(=O)c2cncc(-c3ccccc3F)c2)c([O-])c1 ZINC001196868955 1135624759 /nfs/dbraw/zinc/62/47/59/1135624759.db2.gz UEDJSUIPPFDUIO-UHFFFAOYSA-N -1 1 333.322 3.717 20 30 EHEDMM N#Cc1sc(-c2ccc(F)cc2)cc1[N-]C(=O)c1ncc(F)cn1 ZINC001197198879 1135658269 /nfs/dbraw/zinc/65/82/69/1135658269.db2.gz LSARAOSBBCCARJ-UHFFFAOYSA-N -1 1 342.330 3.607 20 30 EHEDMM N#Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)ccc1[O-] ZINC001199317144 1135897517 /nfs/dbraw/zinc/89/75/17/1135897517.db2.gz SBFNBYAJLGZUSW-UHFFFAOYSA-N -1 1 339.738 3.825 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3sccc3c2)cc1C#N ZINC001201319753 1136007152 /nfs/dbraw/zinc/00/71/52/1136007152.db2.gz IMVNEVDNFLDJNT-UHFFFAOYSA-N -1 1 328.418 3.882 20 30 EHEDMM C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1ccc(C(=O)[O-])cc1 ZINC000776177490 1136022545 /nfs/dbraw/zinc/02/25/45/1136022545.db2.gz PTFUINIXSIQTRP-HNNXBMFYSA-N -1 1 337.423 3.695 20 30 EHEDMM COc1ccc(-c2nnsc2[N-]c2ccc(C#N)cc2F)cc1 ZINC001201559729 1136040845 /nfs/dbraw/zinc/04/08/45/1136040845.db2.gz ABVWEXYNGQDZGP-UHFFFAOYSA-N -1 1 326.356 3.968 20 30 EHEDMM CCCCCCCCCCS(=O)(=O)[N-]c1cnn2c1OCCC2 ZINC001201833712 1136068210 /nfs/dbraw/zinc/06/82/10/1136068210.db2.gz BMQSDCSSVVEGLA-UHFFFAOYSA-N -1 1 343.493 3.548 20 30 EHEDMM CC(C)C[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000822999523 1137082695 /nfs/dbraw/zinc/08/26/95/1137082695.db2.gz KKBNEPVVMVGXFK-JTQLQIEISA-N -1 1 345.187 3.595 20 30 EHEDMM Cc1nn(-c2ccccn2)c(Cl)c1/C=C\C(=O)c1ccc([O-])cc1 ZINC000794691848 1137234016 /nfs/dbraw/zinc/23/40/16/1137234016.db2.gz QGQPOEWQONRAKQ-KTKRTIGZSA-N -1 1 339.782 3.831 20 30 EHEDMM O=C1c2ccc(F)cc2OC/C1=C\c1ccc([O-])c(Br)c1 ZINC000794729191 1137241800 /nfs/dbraw/zinc/24/18/00/1137241800.db2.gz ZGOKRIXPYXYKRV-BJMVGYQFSA-N -1 1 349.155 3.953 20 30 EHEDMM Cc1cn2c(/C=C/C(=O)c3ccc4nc([O-])oc4c3)c(C)nc2s1 ZINC000794713336 1137242583 /nfs/dbraw/zinc/24/25/83/1137242583.db2.gz MKFBBNMLXKPZDF-AATRIKPKSA-N -1 1 339.376 3.756 20 30 EHEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC001147692955 1137411135 /nfs/dbraw/zinc/41/11/35/1137411135.db2.gz IJBXJQRGBNCVGB-MEBBXXQBSA-N -1 1 326.318 3.613 20 30 EHEDMM N#Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c([O-])c1 ZINC001148940950 1137438384 /nfs/dbraw/zinc/43/83/84/1137438384.db2.gz WVQALAAEYHGNJZ-UHFFFAOYSA-N -1 1 340.338 3.728 20 30 EHEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1cccc2c1OC(C)(C)C=C2 ZINC000872396274 1137579218 /nfs/dbraw/zinc/57/92/18/1137579218.db2.gz ALDYGTPUFYYNNA-UHFFFAOYSA-N -1 1 334.441 3.552 20 30 EHEDMM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000872413471 1137579752 /nfs/dbraw/zinc/57/97/52/1137579752.db2.gz KGCBAOLDHYYBTK-UHFFFAOYSA-N -1 1 342.420 3.554 20 30 EHEDMM CSc1ccc(O[C@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000076961078 1138136302 /nfs/dbraw/zinc/13/63/02/1138136302.db2.gz LDMIRYGMMSSQPM-SSDOTTSWSA-N -1 1 346.334 3.601 20 30 EHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Cl)ccc2C)n1 ZINC000338063836 1138738324 /nfs/dbraw/zinc/73/83/24/1138738324.db2.gz WSUOEUCXQALTFJ-LBPRGKRZSA-N -1 1 348.811 3.772 20 30 EHEDMM COC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)o1 ZINC000153091768 1139122316 /nfs/dbraw/zinc/12/23/16/1139122316.db2.gz ZYESRGVPVITGLT-UHFFFAOYSA-N -1 1 344.392 3.521 20 30 EHEDMM CC(=O)c1cc(Cl)cc(CN(CCC#N)Cc2ccco2)c1[O-] ZINC000177366340 1139615888 /nfs/dbraw/zinc/61/58/88/1139615888.db2.gz ZXWYBLFKEYJPCD-UHFFFAOYSA-N -1 1 332.787 3.757 20 30 EHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1C(F)(F)F ZINC000010514346 211178615 /nfs/dbraw/zinc/17/86/15/211178615.db2.gz OEEQJOGKOVYKOM-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM CCCC[C@H]1CCCC1N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736441090 598437758 /nfs/dbraw/zinc/43/77/58/598437758.db2.gz NEIRXEXCQXPVEZ-NSHDSACASA-N -1 1 331.424 3.736 20 30 EHEDMM CCCCCCCCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736449542 598719445 /nfs/dbraw/zinc/71/94/45/598719445.db2.gz YMTMTAARKJQGIK-UHFFFAOYSA-N -1 1 339.443 3.932 20 30 EHEDMM C=CCOc1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1Cl ZINC000833377567 604646327 /nfs/dbraw/zinc/64/63/27/604646327.db2.gz BYNICVRWTUCIIP-AWEZNQCLSA-N -1 1 335.831 3.592 20 30 EHEDMM CCOc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833661026 605142001 /nfs/dbraw/zinc/14/20/01/605142001.db2.gz YAXBZCBZJQRFGH-KRWDZBQOSA-N -1 1 344.798 3.526 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2cnc(N(C)C)c(Cl)c2)n1 ZINC000654982456 1014725047 /nfs/dbraw/zinc/72/50/47/1014725047.db2.gz LXOWOMNEDJMOFC-NSHDSACASA-N -1 1 348.859 3.871 20 30 EHEDMM CC(N=Nc1cc(C(F)(F)F)ccc1F)c1cc(C(=O)[O-])co1 ZINC001589016612 984996477 /nfs/dbraw/zinc/99/64/77/984996477.db2.gz CWFMGKFXTJQWCY-UHFFFAOYSA-N -1 1 330.237 3.972 20 30 EHEDMM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1OC(F)F ZINC001593195086 994144351 /nfs/dbraw/zinc/14/43/51/994144351.db2.gz PNJBXXGMQMCZNQ-ZBEGNZNMSA-N -1 1 346.333 3.636 20 30 EHEDMM COc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000592975885 1032620006 /nfs/dbraw/zinc/62/00/06/1032620006.db2.gz XFQIIROIHIDNRV-ZDUSSCGKSA-N -1 1 326.352 3.934 20 30 EHEDMM N#CC(=C([O-])c1ccc2c(c1)COC2)c1nc2cc(F)ccc2s1 ZINC000592974578 1032620540 /nfs/dbraw/zinc/62/05/40/1032620540.db2.gz UMYCHDUVGKJBBH-CQSZACIVSA-N -1 1 338.363 3.956 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000614357839 1018846203 /nfs/dbraw/zinc/84/62/03/1018846203.db2.gz IUGHINLEFKXQPK-MRXNPFEDSA-N -1 1 349.415 3.851 20 30 EHEDMM CN1C(=O)CCc2cc(/C=C3/CCc4cc([O-])ccc4C3=O)ccc21 ZINC000187640782 1020067265 /nfs/dbraw/zinc/06/72/65/1020067265.db2.gz ZFEJIJSHUPMLDF-WJDWOHSUSA-N -1 1 333.387 3.514 20 30 EHEDMM N#CC(=C([O-])C=Cc1ccc2ccc(Cl)cc2n1)c1ccncn1 ZINC000760344023 1032883814 /nfs/dbraw/zinc/88/38/14/1032883814.db2.gz FLBKRDBFZZKJEH-IYKSTZQJSA-N -1 1 334.766 3.568 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc(C)c1F ZINC000476261545 1033096075 /nfs/dbraw/zinc/09/60/75/1033096075.db2.gz PWDMNGZSPOBTCO-UHFFFAOYSA-N -1 1 338.791 3.768 20 30 EHEDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000476315497 1033130941 /nfs/dbraw/zinc/13/09/41/1033130941.db2.gz JXSZFJRUYISBEC-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM Cc1c(C(=O)/C=C/c2ccc([O-])c(F)c2)cnn1-c1ccc(C#N)cc1 ZINC000121269596 1024242419 /nfs/dbraw/zinc/24/24/19/1024242419.db2.gz XEEUKRGKOJNKTI-XBXARRHUSA-N -1 1 347.349 3.793 20 30 EHEDMM N#Cc1cc2c(nc1NCc1cccc(Br)c1[O-])CCC2 ZINC000277358226 1024741921 /nfs/dbraw/zinc/74/19/21/1024741921.db2.gz GWYWMHQNHAMTNI-UHFFFAOYSA-N -1 1 344.212 3.522 20 30 EHEDMM N#Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Oc1ccccc1 ZINC000428004148 1024923478 /nfs/dbraw/zinc/92/34/78/1024923478.db2.gz GCESVRWYADOCIE-UHFFFAOYSA-N -1 1 348.318 3.839 20 30 EHEDMM CSCc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000184033552 1025438854 /nfs/dbraw/zinc/43/88/54/1025438854.db2.gz PELVPEYAESGAFO-UHFFFAOYSA-N -1 1 332.450 3.531 20 30 EHEDMM N#Cc1cccc(C2(NC(=O)c3cc4ccccc4cc3[O-])CC2)c1 ZINC000436601416 1025934187 /nfs/dbraw/zinc/93/41/87/1025934187.db2.gz IEUVARMPBGNMRM-UHFFFAOYSA-N -1 1 328.371 3.836 20 30 EHEDMM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000101850598 1027475508 /nfs/dbraw/zinc/47/55/08/1027475508.db2.gz BQJNNWWJGDNHAD-UHFFFAOYSA-N -1 1 349.415 3.730 20 30 EHEDMM N#CC(=C([O-])c1sccc1Br)c1nc2ccccc2[nH]1 ZINC000048520497 1027694785 /nfs/dbraw/zinc/69/47/85/1027694785.db2.gz LWIOVZHGAYGZNA-QMMMGPOBSA-N -1 1 346.209 3.877 20 30 EHEDMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000324819576 1028491517 /nfs/dbraw/zinc/49/15/17/1028491517.db2.gz RRJDESYLOZAOJD-CQSZACIVSA-N -1 1 344.436 3.845 20 30 EHEDMM COc1ccc(F)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000078736303 1029435143 /nfs/dbraw/zinc/43/51/43/1029435143.db2.gz MKYRGWXPBKMDIG-LBPRGKRZSA-N -1 1 338.260 3.738 20 30 EHEDMM Cc1nc(CC2CC2)oc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000583415856 1029792087 /nfs/dbraw/zinc/79/20/87/1029792087.db2.gz BWFJBUDYNONXOP-CYBMUJFWSA-N -1 1 334.379 3.610 20 30 EHEDMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000526004959 1030346740 /nfs/dbraw/zinc/34/67/40/1030346740.db2.gz RHYDHMVMVZEUIS-UHFFFAOYSA-N -1 1 344.436 3.649 20 30 EHEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3[O-])cn2)cc1 ZINC000603764614 1033908751 /nfs/dbraw/zinc/90/87/51/1033908751.db2.gz KIXBNQSDDAISQA-UHFFFAOYSA-N -1 1 331.331 3.703 20 30 EHEDMM N#Cc1cc2c(nc1[N-]C(=O)c1c(F)c(F)cc(F)c1F)CCCC2 ZINC000122038999 1034059915 /nfs/dbraw/zinc/05/99/15/1034059915.db2.gz NVQVRULWIVZUJW-UHFFFAOYSA-N -1 1 349.287 3.641 20 30 EHEDMM C[C@H]1SCCN(C(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccccc1 ZINC000188438108 1034462286 /nfs/dbraw/zinc/46/22/86/1034462286.db2.gz DQIWASRCHHHZTM-FZKQIMNGSA-N -1 1 338.432 3.583 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)cc1 ZINC000236237289 1034684247 /nfs/dbraw/zinc/68/42/47/1034684247.db2.gz SVJZQHWKKFAZRZ-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM C=CCCC1(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CC1 ZINC000450695940 1034700199 /nfs/dbraw/zinc/70/01/99/1034700199.db2.gz KDADITPGBBJCRC-UHFFFAOYSA-N -1 1 332.791 3.516 20 30 EHEDMM C=CCCC1(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)CC1 ZINC000450695940 1034700216 /nfs/dbraw/zinc/70/02/16/1034700216.db2.gz KDADITPGBBJCRC-UHFFFAOYSA-N -1 1 332.791 3.516 20 30 EHEDMM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1F ZINC000121807174 1035500039 /nfs/dbraw/zinc/50/00/39/1035500039.db2.gz JVMBVRCCELIGGB-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC000589159638 1036284822 /nfs/dbraw/zinc/28/48/22/1036284822.db2.gz FVERJQBCUOHRLC-UHFFFAOYSA-N -1 1 329.359 3.502 20 30 EHEDMM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190979979 1036314089 /nfs/dbraw/zinc/31/40/89/1036314089.db2.gz NRHXHPZYUNTGAN-AWEZNQCLSA-N -1 1 326.359 3.910 20 30 EHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)c1 ZINC000589597893 1036562635 /nfs/dbraw/zinc/56/26/35/1036562635.db2.gz AFQMFDAVJNBVDU-UHFFFAOYSA-N -1 1 349.415 3.615 20 30 EHEDMM N#Cc1ccc(C(=O)NCCCCCOC2CCCCC2)cc1[O-] ZINC000442973173 1036769505 /nfs/dbraw/zinc/76/95/05/1036769505.db2.gz NVJVJHCMFUCTNQ-UHFFFAOYSA-N -1 1 330.428 3.513 20 30 EHEDMM CC[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1ccccc1Cl ZINC000443299066 1037714187 /nfs/dbraw/zinc/71/41/87/1037714187.db2.gz IOCPSBRLRDJXQZ-CQSZACIVSA-N -1 1 344.798 3.505 20 30 EHEDMM CCCCCCCCCN(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000128058543 1038585574 /nfs/dbraw/zinc/58/55/74/1038585574.db2.gz WCGVTIJODYLLMV-UHFFFAOYSA-N -1 1 329.444 3.746 20 30 EHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1N(C)C(C)C ZINC000500820904 1039547664 /nfs/dbraw/zinc/54/76/64/1039547664.db2.gz AAIJHENFYJIOLX-UHFFFAOYSA-N -1 1 343.452 3.512 20 30 EHEDMM N#CCCCOc1cccnc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000110309368 1039983355 /nfs/dbraw/zinc/98/33/55/1039983355.db2.gz DLGQHJOQFQWPPW-UHFFFAOYSA-N -1 1 347.374 3.875 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2cc(C)n([C@@H]3CCCOC3)c2C)n1 ZINC000626283281 1040614031 /nfs/dbraw/zinc/61/40/31/1040614031.db2.gz OGFHIQWULJXUNB-GDBMZVCRSA-N -1 1 343.452 3.711 20 30 EHEDMM CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1OC(F)F ZINC000614294965 1040956469 /nfs/dbraw/zinc/95/64/69/1040956469.db2.gz BDZNUZDSTRFTAQ-HNNXBMFYSA-N -1 1 346.333 3.746 20 30 EHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccccc1OCc1cccnc1 ZINC000107842962 1044371505 /nfs/dbraw/zinc/37/15/05/1044371505.db2.gz GLWRNPBFRQLZCP-JMIUGGIZSA-N -1 1 345.354 3.982 20 30 EHEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055548366 1128522619 /nfs/dbraw/zinc/52/26/19/1128522619.db2.gz IBYCRNOECKTFOT-UHFFFAOYSA-N -1 1 338.841 3.734 20 30 EHEDMM C=CCOc1ccc(/C=C/C(=O)Nc2cccc(F)c2[O-])cc1OC ZINC001648851098 1120054346 /nfs/dbraw/zinc/05/43/46/1120054346.db2.gz UYADHXAATQNLLK-CSKARUKUSA-N -1 1 343.354 3.757 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000303621820 1121166414 /nfs/dbraw/zinc/16/64/14/1121166414.db2.gz XCMKKWDBKQCBIE-UHFFFAOYSA-N -1 1 342.420 3.622 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cc([N+](=O)[O-])ccc1Cl)O2 ZINC000915989116 1122013890 /nfs/dbraw/zinc/01/38/90/1122013890.db2.gz YHMIQQPBFSBOQJ-NSIKDUERSA-N -1 1 331.711 3.878 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cn3cc(Cl)ccc3n1)O2 ZINC000920754378 1123420383 /nfs/dbraw/zinc/42/03/83/1123420383.db2.gz DUCWHQJACOOFPX-RZNTYIFUSA-N -1 1 326.739 3.618 20 30 EHEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccccc1Br ZINC000920947897 1123442023 /nfs/dbraw/zinc/44/20/23/1123442023.db2.gz YEVZUZZJCCAJFH-UHFFFAOYSA-N -1 1 333.185 3.983 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1Cl ZINC000195451507 1123443370 /nfs/dbraw/zinc/44/33/70/1123443370.db2.gz ABVMYGDQRKDMIJ-UHFFFAOYSA-N -1 1 342.754 3.950 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000619458683 1125350135 /nfs/dbraw/zinc/35/01/35/1125350135.db2.gz JSPAWMAFUKJSPK-SAZUREKKSA-N -1 1 326.783 3.593 20 30 EHEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000733772088 1131078170 /nfs/dbraw/zinc/07/81/70/1131078170.db2.gz XICXAGLULVUZAR-AWEZNQCLSA-N -1 1 344.798 3.657 20 30 EHEDMM Cc1cc(CN=Nc2ccccc2C(=O)[O-])ccc1Br ZINC000746368803 1132499619 /nfs/dbraw/zinc/49/96/19/1132499619.db2.gz NSUZSQSLMKUMFV-UHFFFAOYSA-N -1 1 333.185 3.902 20 30 EHEDMM C=CCn1cc(Nc2cc(Br)cc(Cl)c2[O-])cn1 ZINC001176550576 1132965678 /nfs/dbraw/zinc/96/56/78/1132965678.db2.gz NEAFTAJEPUAXQQ-UHFFFAOYSA-N -1 1 328.597 3.934 20 30 EHEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc([N+](=O)[O-])c(Cl)c2)c1 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344.374 3.729 20 30 EHEDMM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195158984 1135384539 /nfs/dbraw/zinc/38/45/39/1135384539.db2.gz JEGQPJYJYOJQAZ-UHFFFAOYSA-N -1 1 332.400 3.930 20 30 EHEDMM Cc1c[nH]c(=O)cc1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196308900 1135540450 /nfs/dbraw/zinc/54/04/50/1135540450.db2.gz DGJDMMFPECUKJM-UHFFFAOYSA-N -1 1 345.358 3.592 20 30 EHEDMM CC(C)Oc1nccnc1C(=O)[N-]c1sc2ccccc2c1C#N ZINC001198049036 1135765860 /nfs/dbraw/zinc/76/58/60/1135765860.db2.gz OWIGINVHFVYUAZ-UHFFFAOYSA-N -1 1 338.392 3.602 20 30 EHEDMM Cc1c(Cl)onc1C(=O)[N-]c1c(C#N)cccc1C(F)(F)F ZINC001199675242 1135918939 /nfs/dbraw/zinc/91/89/39/1135918939.db2.gz FEDJLYOIYZULTK-UHFFFAOYSA-N -1 1 329.665 3.779 20 30 EHEDMM N#Cc1cc(NC(=O)Nc2ccccc2Br)ccc1[O-] ZINC001201978601 1136075986 /nfs/dbraw/zinc/07/59/86/1136075986.db2.gz GCNVNEVPGYHTBS-UHFFFAOYSA-N -1 1 332.157 3.670 20 30 EHEDMM CC(=NNc1ncc(Cl)cc1Cl)c1csc(C(=O)[O-])c1 ZINC000814740146 1136500077 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Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c(C)c1 ZINC000055640177 1138056001 /nfs/dbraw/zinc/05/60/01/1138056001.db2.gz WOOHUCLIDDWCMX-UHFFFAOYSA-N -1 1 344.436 3.787 20 30 EHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC000337155716 1138481468 /nfs/dbraw/zinc/48/14/68/1138481468.db2.gz OCNRDZCFUDFSRV-UHFFFAOYSA-N -1 1 330.384 3.684 20 30 EHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Cl)ccc2C)n1 ZINC000338063835 1138738445 /nfs/dbraw/zinc/73/84/45/1138738445.db2.gz WSUOEUCXQALTFJ-GFCCVEGCSA-N -1 1 348.811 3.772 20 30 EHEDMM O=C(CC(F)(F)C(F)F)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000890193139 1139322504 /nfs/dbraw/zinc/32/25/04/1139322504.db2.gz QBBSPJBJYPMZPB-SECBINFHSA-N -1 1 335.194 3.836 20 30 EHEDMM CC(C)(C)OCc1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)no1 ZINC000348861246 1141597991 /nfs/dbraw/zinc/59/79/91/1141597991.db2.gz GSWVPBFWPMKRQR-UHFFFAOYSA-N -1 1 345.424 3.664 20 30 EHEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000833386637 605156083 /nfs/dbraw/zinc/15/60/83/605156083.db2.gz NYODHOWEVCDWGQ-UHFFFAOYSA-N -1 1 332.743 3.603 20 30 EHEDMM Cc1[nH]c2ccccc2c1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822010246 606390379 /nfs/dbraw/zinc/39/03/79/606390379.db2.gz VBNJZXCTVRDTKB-SOFGYWHQSA-N -1 1 335.392 3.614 20 30 EHEDMM CC[C@H]1C[C@H](C)CCC1N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825180848 608750360 /nfs/dbraw/zinc/75/03/60/608750360.db2.gz BBAPQMKZGFBKNB-MNOVXSKESA-N -1 1 331.424 3.592 20 30 EHEDMM CCSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825674140 947286353 /nfs/dbraw/zinc/28/63/53/947286353.db2.gz IKJQEORLLPGPKW-CLFYSBASSA-N -1 1 342.449 3.936 20 30 EHEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccc(C(=O)[O-])cc1 ZINC000263415427 962585146 /nfs/dbraw/zinc/58/51/46/962585146.db2.gz NALFTUOVXHUFMF-UHFFFAOYSA-N -1 1 327.428 3.741 20 30 EHEDMM COc1cc(C)c(C(C)N=Nc2ccccc2C(=O)[O-])cc1OC ZINC000731314212 978296645 /nfs/dbraw/zinc/29/66/45/978296645.db2.gz GCONMQWVADEZOC-UHFFFAOYSA-N -1 1 328.368 3.547 20 30 EHEDMM C=CC[C@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1ccncc1 ZINC001588746373 984058133 /nfs/dbraw/zinc/05/81/33/984058133.db2.gz SBIOKMVHZMKBPD-YOEHRIQHSA-N -1 1 326.396 3.513 20 30 EHEDMM CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001594724979 987225314 /nfs/dbraw/zinc/22/53/14/987225314.db2.gz HHXZJUGBYMAFNR-SWLSCSKDSA-N -1 1 328.368 3.510 20 30 EHEDMM CCOc1ccc(C2=CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000189086830 1016426750 /nfs/dbraw/zinc/42/67/50/1016426750.db2.gz RNNUKCZIHPIBNO-UHFFFAOYSA-N -1 1 348.402 3.592 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000614375197 1018892271 /nfs/dbraw/zinc/89/22/71/1018892271.db2.gz JSNBJUZDDVBECF-FQEVSTJZSA-N -1 1 346.361 3.922 20 30 EHEDMM C=CCOc1ccc(CNCc2ccc(C(=O)[O-])c(C)n2)cc1Cl ZINC000426664445 1022632251 /nfs/dbraw/zinc/63/22/51/1022632251.db2.gz FSNLEYROYSKWPJ-UHFFFAOYSA-N -1 1 346.814 3.596 20 30 EHEDMM Cc1cncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000426167051 1023024195 /nfs/dbraw/zinc/02/41/95/1023024195.db2.gz IQEXSRSVVBKFPC-LBPRGKRZSA-N -1 1 326.306 3.625 20 30 EHEDMM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC000426807343 1023053879 /nfs/dbraw/zinc/05/38/79/1023053879.db2.gz NEGFCDWYBMNQAO-KRWDZBQOSA-N -1 1 349.789 3.959 20 30 EHEDMM C=CCCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000431203969 1023522275 /nfs/dbraw/zinc/52/22/75/1023522275.db2.gz RLZGFIPSFCSJKR-UHFFFAOYSA-N -1 1 347.396 3.656 20 30 EHEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000435139873 1024655148 /nfs/dbraw/zinc/65/51/48/1024655148.db2.gz YBSDCUDBPKQWDR-UHFFFAOYSA-N -1 1 348.399 3.594 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)sc1C ZINC000540213047 1025523008 /nfs/dbraw/zinc/52/30/08/1025523008.db2.gz DVOQIJARXGTMHO-UHFFFAOYSA-N -1 1 326.830 3.691 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1[O-] ZINC000442870629 1025541496 /nfs/dbraw/zinc/54/14/96/1025541496.db2.gz GKZVNPCWZWJFTA-QGZVFWFLSA-N -1 1 326.783 3.798 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc1[O-] ZINC000443117278 1025732890 /nfs/dbraw/zinc/73/28/90/1025732890.db2.gz KDGBBXRIBAGURM-SFHVURJKSA-N -1 1 336.366 3.769 20 30 EHEDMM CCOc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)cc(Cl)c1O ZINC000302909810 1027356594 /nfs/dbraw/zinc/35/65/94/1027356594.db2.gz JQJUMOTTZAWUJI-CHHVJCJISA-N -1 1 332.739 3.766 20 30 EHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)ccc1Cl ZINC000135935265 1028495035 /nfs/dbraw/zinc/49/50/35/1028495035.db2.gz YNCCCESGDYLDDM-UHFFFAOYSA-N -1 1 343.795 3.561 20 30 EHEDMM C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445477181 1028833439 /nfs/dbraw/zinc/83/34/39/1028833439.db2.gz MGSPNVAMAGHSMP-SNVBAGLBSA-N -1 1 325.299 3.593 20 30 EHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C(C)C)c2)n1 ZINC000595241409 1033719132 /nfs/dbraw/zinc/71/91/32/1033719132.db2.gz XGOZUXRUZULNHM-AWEZNQCLSA-N -1 1 342.420 3.933 20 30 EHEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000108238252 1033783892 /nfs/dbraw/zinc/78/38/92/1033783892.db2.gz FTVXTQSRWIZLFH-NSHDSACASA-N -1 1 328.393 3.602 20 30 EHEDMM O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604076676 1034181328 /nfs/dbraw/zinc/18/13/28/1034181328.db2.gz DJNJBPQBMSYTHL-UHFFFAOYSA-N -1 1 337.360 3.637 20 30 EHEDMM CCC(CC)CN(CCC#N)C(=O)c1ncc2ccccc2c1[O-] ZINC000597159110 1034569966 /nfs/dbraw/zinc/56/99/66/1034569966.db2.gz HKOIIQBBGCMHEP-UHFFFAOYSA-N -1 1 325.412 3.732 20 30 EHEDMM Cc1cc(Br)c([O-])c(NC(=O)CCCCCC#N)c1 ZINC000588672585 1035934885 /nfs/dbraw/zinc/93/48/85/1035934885.db2.gz BOBPEFYWKAGQAA-UHFFFAOYSA-N -1 1 325.206 3.876 20 30 EHEDMM COc1ccc2cc(CN(C)C(=O)c3cc([O-])cc(C#N)c3)ccc2c1 ZINC000589160101 1036287713 /nfs/dbraw/zinc/28/77/13/1036287713.db2.gz ROWUIJQIMSAQHJ-UHFFFAOYSA-N -1 1 346.386 3.698 20 30 EHEDMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589592908 1036559382 /nfs/dbraw/zinc/55/93/82/1036559382.db2.gz YYRMKRZXWQDKNJ-UHFFFAOYSA-N -1 1 342.464 3.987 20 30 EHEDMM CCOc1cc(C(=O)N(C)c2cccc(C#N)c2)cc(Cl)c1[O-] ZINC000186699387 1036966422 /nfs/dbraw/zinc/96/64/22/1036966422.db2.gz FFDIREWLAXEBRE-UHFFFAOYSA-N -1 1 330.771 3.593 20 30 EHEDMM Cn1cc(/C=C/C(=O)c2cc(O)ccc2[O-])c(C2CCCCC2)n1 ZINC000181451471 1038415885 /nfs/dbraw/zinc/41/58/85/1038415885.db2.gz MECHVDILUKCTEL-VQHVLOKHSA-N -1 1 326.396 3.775 20 30 EHEDMM Cc1cc(C(C#N)=C([O-])c2cc3c(s2)CC[C@H](C)C3)nc(C)n1 ZINC000041574630 1039317304 /nfs/dbraw/zinc/31/73/04/1039317304.db2.gz CCVDNMFCZJEFBI-HZMBPMFUSA-N -1 1 325.437 3.770 20 30 EHEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1cnn(C2CCC2)c1 ZINC000899406504 1040464697 /nfs/dbraw/zinc/46/46/97/1040464697.db2.gz MFAOASQDWXDBPO-XQRVVYSFSA-N -1 1 347.212 3.972 20 30 EHEDMM O=C(/C=C\c1cc(Br)cc2c1OCC2)c1ccc([O-])cc1 ZINC000764916409 1127551271 /nfs/dbraw/zinc/55/12/71/1127551271.db2.gz ZHDIPZKPSBZMGV-UTCJRWHESA-N -1 1 345.192 3.986 20 30 EHEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc([O-])c(F)c1 ZINC000672239420 1128870033 /nfs/dbraw/zinc/87/00/33/1128870033.db2.gz LOERMOYGIVGJHC-UHFFFAOYSA-N -1 1 331.391 3.527 20 30 EHEDMM C#CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)c1ccccc1 ZINC000762626453 1121386680 /nfs/dbraw/zinc/38/66/80/1121386680.db2.gz UKRFCVNCORWQFK-MRXNPFEDSA-N -1 1 343.810 3.939 20 30 EHEDMM N#CCOc1ccccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000920106309 1123292758 /nfs/dbraw/zinc/29/27/58/1123292758.db2.gz MXPQQFOKZLNRRO-INIZCTEOSA-N -1 1 327.343 3.627 20 30 EHEDMM Cc1ccc(C2N=NC(=S)N2N=Cc2ccc([O-])c(Cl)c2)cc1 ZINC000921255176 1123494677 /nfs/dbraw/zinc/49/46/77/1123494677.db2.gz KOLHOUYPCUHZTD-UHFFFAOYSA-N -1 1 344.827 3.783 20 30 EHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)C)cc2)n1 ZINC000067895520 1123773736 /nfs/dbraw/zinc/77/37/36/1123773736.db2.gz TVOFERMPSCONRH-AWEZNQCLSA-N -1 1 342.420 3.933 20 30 EHEDMM CCSc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619463001 1125350740 /nfs/dbraw/zinc/35/07/40/1125350740.db2.gz NPCDFZDRGNZDMJ-UHFFFAOYSA-N -1 1 332.450 3.665 20 30 EHEDMM Cc1nc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2s1 ZINC000114673209 1129179520 /nfs/dbraw/zinc/17/95/20/1129179520.db2.gz JUNOADOCQSITGY-UHFFFAOYSA-N -1 1 343.433 3.586 20 30 EHEDMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc(OCC#N)c1 ZINC000736063384 1131407151 /nfs/dbraw/zinc/40/71/51/1131407151.db2.gz HYHLXBPWYLGGQF-UHFFFAOYSA-N -1 1 344.436 3.515 20 30 EHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000172591004 1130145927 /nfs/dbraw/zinc/14/59/27/1130145927.db2.gz WRPMLILSRVJYEW-UHFFFAOYSA-N -1 1 344.436 3.593 20 30 EHEDMM COc1cc(C#N)ccc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000766063474 1130164990 /nfs/dbraw/zinc/16/49/90/1130164990.db2.gz TXAQTKXBSRJTMX-HJWRWDBZSA-N -1 1 348.811 3.633 20 30 EHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccccc1OCC(F)(F)F ZINC000741847321 1131655972 /nfs/dbraw/zinc/65/59/72/1131655972.db2.gz FIWJYUUPFKBXCN-CHHVJCJISA-N -1 1 336.265 3.950 20 30 EHEDMM CCCCCCCOC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000744567569 1132123678 /nfs/dbraw/zinc/12/36/78/1132123678.db2.gz PRYHXMOCOWEHTQ-UHFFFAOYSA-N -1 1 327.446 3.575 20 30 EHEDMM COCCCOc1cccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)c1 ZINC000746341537 1132477584 /nfs/dbraw/zinc/47/75/84/1132477584.db2.gz BXNICCRYWVBJAH-WOJGMQOQSA-N -1 1 340.375 3.732 20 30 EHEDMM C[C@H]1CC(C)(C)CCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769794149 1133347463 /nfs/dbraw/zinc/34/74/63/1133347463.db2.gz WRODYQAIEYJLPN-NSHDSACASA-N -1 1 344.463 3.901 20 30 EHEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)sn2)cc1 ZINC000774051368 1133593018 /nfs/dbraw/zinc/59/30/18/1133593018.db2.gz ISBUUWGARQPDOV-OAHLLOKOSA-N -1 1 341.436 3.755 20 30 EHEDMM Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1cccc(C(=O)[O-])c1 ZINC000774118609 1133613800 /nfs/dbraw/zinc/61/38/00/1133613800.db2.gz KLLPJTUVUHFKNE-ZHACJKMWSA-N -1 1 332.359 3.979 20 30 EHEDMM O=c1c2ccccc2ncn1N=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000774589361 1133771311 /nfs/dbraw/zinc/77/13/11/1133771311.db2.gz PHRTXSUJWWMUPB-UHFFFAOYSA-N -1 1 349.777 3.791 20 30 EHEDMM N#CCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC001186218758 1134188337 /nfs/dbraw/zinc/18/83/37/1134188337.db2.gz KEMPTRHHGARXJB-UHFFFAOYSA-N -1 1 332.762 3.741 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(N(C)C(C)C)nc2)c1 ZINC000790221803 1134387142 /nfs/dbraw/zinc/38/71/42/1134387142.db2.gz GCOZJIVNFRVATB-VMPITWQZSA-N -1 1 326.396 3.537 20 30 EHEDMM Cc1noc(-c2ccccc2)c1NC(=O)Nc1scc([O-])c1C#N ZINC001190337887 1134684706 /nfs/dbraw/zinc/68/47/06/1134684706.db2.gz LCCRNOSARQYYMW-UHFFFAOYSA-N -1 1 340.364 3.933 20 30 EHEDMM N#Cc1cc(F)c(NC(=O)c2cc([O-])cc(F)c2F)c(Cl)c1 ZINC001192671225 1135043440 /nfs/dbraw/zinc/04/34/40/1135043440.db2.gz YFYGOURQRSMQFW-UHFFFAOYSA-N -1 1 326.661 3.587 20 30 EHEDMM N#Cc1cc(F)c([N-]C(=O)c2ncnc(Cl)c2Cl)c(Cl)c1 ZINC001195026823 1135354934 /nfs/dbraw/zinc/35/49/34/1135354934.db2.gz YABKTJXAMDAEMH-UHFFFAOYSA-N -1 1 345.548 3.700 20 30 EHEDMM CCc1nccnc1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196309105 1135540611 /nfs/dbraw/zinc/54/06/11/1135540611.db2.gz LWZNVVVQTPGZGB-UHFFFAOYSA-N -1 1 344.374 3.536 20 30 EHEDMM Cc1ccc(O)c(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)n1 ZINC001196298471 1135544900 /nfs/dbraw/zinc/54/49/00/1135544900.db2.gz WOSMJFFBPSWEML-UHFFFAOYSA-N -1 1 345.358 3.592 20 30 EHEDMM N#Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)c([O-])c1 ZINC001199316974 1135897389 /nfs/dbraw/zinc/89/73/89/1135897389.db2.gz OGEDXEMBDYHQOD-UHFFFAOYSA-N -1 1 339.738 3.825 20 30 EHEDMM C#C[C@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1ccc(Cl)cc1 ZINC000812351820 1136197303 /nfs/dbraw/zinc/19/73/03/1136197303.db2.gz APVYWGOBRDSSKW-AWEZNQCLSA-N -1 1 334.753 3.626 20 30 EHEDMM C[C@H](CCc1ccc2c(c1)OCO2)NN=Cc1cccc([O-])c1Cl ZINC000814924430 1136525075 /nfs/dbraw/zinc/52/50/75/1136525075.db2.gz MSVGKVNJSDXXFY-GFCCVEGCSA-N -1 1 346.814 3.719 20 30 EHEDMM CCOC(=O)[C@H]1CCC[C@@H]1Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001170958657 1137016348 /nfs/dbraw/zinc/01/63/48/1137016348.db2.gz KQUDLKZVILMAMR-QJQKFFLCSA-N -1 1 344.333 3.657 20 30 EHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(Cl)sc3c2)c1 ZINC000821096007 1137018165 /nfs/dbraw/zinc/01/81/65/1137018165.db2.gz DHNDEFXECXRVGM-UHFFFAOYSA-N -1 1 349.824 3.622 20 30 EHEDMM CC(=NNc1c(C)cc(C)cc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823953819 1137119109 /nfs/dbraw/zinc/11/91/09/1137119109.db2.gz RINNKAOEQWNKFM-UHFFFAOYSA-N -1 1 326.429 3.690 20 30 EHEDMM CC(C)[C@@H]1CCCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1 ZINC000794510361 1137181403 /nfs/dbraw/zinc/18/14/03/1137181403.db2.gz NJGHOGZCEMMAGN-GFCCVEGCSA-N -1 1 344.463 3.901 20 30 EHEDMM N#CC(C(=O)c1sccc1Br)=C([O-])C1=CCCCC1 ZINC000845846723 1137312330 /nfs/dbraw/zinc/31/23/30/1137312330.db2.gz YZFYUOGWJHTTKP-JTQLQIEISA-N -1 1 338.226 3.903 20 30 EHEDMM C[C@H](Oc1ccc(CN=Nc2cccc(Cl)c2F)cc1)C(=O)[O-] ZINC000794903887 1137334965 /nfs/dbraw/zinc/33/49/65/1137334965.db2.gz SJGXMVDKZUTCQV-JTQLQIEISA-N -1 1 336.750 3.777 20 30 EHEDMM CCN1c2ccc(N[C@@H](C)c3cccc(C#N)c3[O-])cc2CCC1=O ZINC000866341201 1137347410 /nfs/dbraw/zinc/34/74/10/1137347410.db2.gz WZQVBUCKVBLWQM-ZDUSSCGKSA-N -1 1 335.407 3.736 20 30 EHEDMM Cc1ccc(C(=O)NCC2CC2)cc1N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866346319 1137347775 /nfs/dbraw/zinc/34/77/75/1137347775.db2.gz WHTZZWWELDCSMT-CQSZACIVSA-N -1 1 349.434 3.885 20 30 EHEDMM C[C@]1(Cc2cccs2)CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000885252368 1137992896 /nfs/dbraw/zinc/99/28/96/1137992896.db2.gz AXGQGYZLGUUEAN-GOSISDBHSA-N -1 1 326.421 3.563 20 30 EHEDMM C[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)Cc1cccc(F)c1 ZINC000073028412 1138110297 /nfs/dbraw/zinc/11/02/97/1138110297.db2.gz XHQHCOBVLYBINX-QMMMGPOBSA-N -1 1 330.285 3.820 20 30 EHEDMM CC(=NOCCC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000777459013 1140389125 /nfs/dbraw/zinc/38/91/25/1140389125.db2.gz FMUWQCNQDNEMTE-UHFFFAOYSA-N -1 1 326.112 3.848 20 30 EHEDMM C=CC1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000567619822 600327108 /nfs/dbraw/zinc/32/71/08/600327108.db2.gz FLPGMSLORWNHPS-UHFFFAOYSA-N -1 1 328.437 3.906 20 30 EHEDMM CC(C)c1csc(C(C#N)C(=O)c2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000824476689 603440617 /nfs/dbraw/zinc/44/06/17/603440617.db2.gz QMADBSAZHZVKQH-SNVBAGLBSA-N -1 1 347.371 3.986 20 30 EHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCC2(C)CCCCCC2)o1 ZINC000824353168 609516433 /nfs/dbraw/zinc/51/64/33/609516433.db2.gz ZEUHLECRCZFNRN-UHFFFAOYSA-N -1 1 331.424 3.736 20 30 EHEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1csc(C(C)C)n1 ZINC000768784828 978739607 /nfs/dbraw/zinc/73/96/07/978739607.db2.gz URGWNVHTSUXPLX-UHFFFAOYSA-N -1 1 333.413 3.809 20 30 EHEDMM Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1ccc(C(=O)[O-])cc1 ZINC000915105816 982663012 /nfs/dbraw/zinc/66/30/12/982663012.db2.gz GCZRHTZIENVAAF-FMIVXFBMSA-N -1 1 332.359 3.979 20 30 EHEDMM C=CC[C@@H]1[N@@H+](CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CCCC1(C)C ZINC001588774374 984151567 /nfs/dbraw/zinc/15/15/67/984151567.db2.gz WUJSDRISTUUZGK-HNNXBMFYSA-N -1 1 332.444 3.579 20 30 EHEDMM C=CC[C@@H]1N(CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CCCC1(C)C ZINC001588774374 984151569 /nfs/dbraw/zinc/15/15/69/984151569.db2.gz WUJSDRISTUUZGK-HNNXBMFYSA-N -1 1 332.444 3.579 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1[O-] ZINC000189222821 1016494649 /nfs/dbraw/zinc/49/46/49/1016494649.db2.gz OACPFSFKSJITQC-UHFFFAOYSA-N -1 1 340.810 3.937 20 30 EHEDMM N#Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1[O-] ZINC000189944624 1016794467 /nfs/dbraw/zinc/79/44/67/1016794467.db2.gz PKVYMHMBWYUWNU-UHFFFAOYSA-N -1 1 328.371 3.783 20 30 EHEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1ccc(N2CCC(O)CC2)cc1 ZINC000905070855 1032339398 /nfs/dbraw/zinc/33/93/98/1032339398.db2.gz BBTJYIDUBWVVPE-LGMDPLHJSA-N -1 1 349.430 3.566 20 30 EHEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000126254895 1018775285 /nfs/dbraw/zinc/77/52/85/1018775285.db2.gz BQQLADOOPVWTLX-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM Cc1ccc(Br)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614364048 1018858244 /nfs/dbraw/zinc/85/82/44/1018858244.db2.gz PBRUZJUGAFTGHI-UHFFFAOYSA-N -1 1 331.169 3.587 20 30 EHEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1 ZINC000593189695 1032798962 /nfs/dbraw/zinc/79/89/62/1032798962.db2.gz YYSOWQMYPRPROE-UHFFFAOYSA-N -1 1 340.448 3.777 20 30 EHEDMM Cc1c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)oc2c1C(=O)CCC2 ZINC000345380428 1020214607 /nfs/dbraw/zinc/21/46/07/1020214607.db2.gz QZUISELWXRAVOO-GFCCVEGCSA-N -1 1 347.374 3.782 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1F ZINC000427301998 1021291259 /nfs/dbraw/zinc/29/12/59/1021291259.db2.gz ZXRASBQQTVQJKW-UHFFFAOYSA-N -1 1 330.384 3.766 20 30 EHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C3CC3)c2)n1 ZINC000516581052 1021567252 /nfs/dbraw/zinc/56/72/52/1021567252.db2.gz ALSSBWGEVXAXPS-AWEZNQCLSA-N -1 1 340.404 3.687 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1F ZINC000427131890 1023233377 /nfs/dbraw/zinc/23/33/77/1023233377.db2.gz WSSDCPHNYNTIRD-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM N#Cc1csc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)c1 ZINC000084296208 1024263558 /nfs/dbraw/zinc/26/35/58/1024263558.db2.gz UGCZQQXUATZYSJ-UHFFFAOYSA-N -1 1 344.446 3.875 20 30 EHEDMM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ncc(F)cc3F)sc2C1 ZINC000521527613 1025442153 /nfs/dbraw/zinc/44/21/53/1025442153.db2.gz FKYKRYSGRJKLOG-QMMMGPOBSA-N -1 1 333.363 3.670 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c(F)c1 ZINC000135627206 1033283746 /nfs/dbraw/zinc/28/37/46/1033283746.db2.gz HYONJLHZFQZALN-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)c1cccc(Cl)c1 ZINC000442936960 1025609295 /nfs/dbraw/zinc/60/92/95/1025609295.db2.gz ALGSALBBXGWTQF-UHFFFAOYSA-N -1 1 328.799 3.625 20 30 EHEDMM N#C[C@H](NC(=O)c1cc(F)ccc1[O-])c1c(Cl)cccc1Cl ZINC000436551877 1025853740 /nfs/dbraw/zinc/85/37/40/1025853740.db2.gz AYADXSKEXUBCLD-LBPRGKRZSA-N -1 1 339.153 3.833 20 30 EHEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451392244 1025916131 /nfs/dbraw/zinc/91/61/31/1025916131.db2.gz LLFZUQXNLAWDOM-SECBINFHSA-N -1 1 328.846 3.525 20 30 EHEDMM N#Cc1ccc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1[O-] ZINC000191937691 1029199095 /nfs/dbraw/zinc/19/90/95/1029199095.db2.gz KIHJBDLXXOIZNL-UHFFFAOYSA-N -1 1 348.324 3.859 20 30 EHEDMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000481867216 1030059991 /nfs/dbraw/zinc/05/99/91/1030059991.db2.gz LMBXQPJKHQLPKJ-UHFFFAOYSA-N -1 1 328.437 3.792 20 30 EHEDMM CCCc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000173952773 1033627648 /nfs/dbraw/zinc/62/76/48/1033627648.db2.gz OZXPRWOTDZZSOF-GFCCVEGCSA-N -1 1 347.827 3.710 20 30 EHEDMM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451022937 1035020167 /nfs/dbraw/zinc/02/01/67/1035020167.db2.gz DDQAPKOKSGACMF-AWEZNQCLSA-N -1 1 340.857 3.525 20 30 EHEDMM CCOc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc(Cl)c1[O-] ZINC000613022635 1035359869 /nfs/dbraw/zinc/35/98/69/1035359869.db2.gz ZNUBPAITLRSNSS-NSHDSACASA-N -1 1 344.798 3.807 20 30 EHEDMM COc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])c(Cl)c1OC ZINC000156666170 1035582687 /nfs/dbraw/zinc/58/26/87/1035582687.db2.gz LCGFCQSHJOWKHC-ZZXKWVIFSA-N -1 1 334.755 3.665 20 30 EHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000475805307 1036189701 /nfs/dbraw/zinc/18/97/01/1036189701.db2.gz FFXLSFZJRNIYIZ-UHFFFAOYSA-N -1 1 341.219 3.860 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NCCCc2cccc(C(F)(F)F)c2)c1 ZINC000589171898 1036274052 /nfs/dbraw/zinc/27/40/52/1036274052.db2.gz ZBWLIQINZIQHTR-UHFFFAOYSA-N -1 1 348.324 3.645 20 30 EHEDMM CC(C)(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000589188648 1036296142 /nfs/dbraw/zinc/29/61/42/1036296142.db2.gz BIWSNXMMBBTVRW-QGZVFWFLSA-N -1 1 326.371 3.920 20 30 EHEDMM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589189252 1036300528 /nfs/dbraw/zinc/30/05/28/1036300528.db2.gz QDQIJBXXRNRWON-CQSZACIVSA-N -1 1 338.407 3.680 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2ccc3[nH]c(=O)n(C(C)C)c3c2)n1 ZINC000659010490 1036766154 /nfs/dbraw/zinc/76/61/54/1036766154.db2.gz OABYVNZVUGTNNJ-LBPRGKRZSA-N -1 1 340.408 3.578 20 30 EHEDMM N#Cc1ccsc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000052028182 1037096011 /nfs/dbraw/zinc/09/60/11/1037096011.db2.gz CHOWVCZKQMUXAM-UHFFFAOYSA-N -1 1 326.406 3.698 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCOC3)n1 ZINC000659114810 1037258425 /nfs/dbraw/zinc/25/84/25/1037258425.db2.gz HJKACGAVMRLSON-OAHLLOKOSA-N -1 1 326.421 3.829 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)C2CCCC2)o1 ZINC000553763719 1040433353 /nfs/dbraw/zinc/43/33/53/1040433353.db2.gz HUFBAZZAXQXFAK-QGZVFWFLSA-N -1 1 348.399 3.500 20 30 EHEDMM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000908662395 1040564331 /nfs/dbraw/zinc/56/43/31/1040564331.db2.gz MFYDCTPLLRTZAP-CYBMUJFWSA-N -1 1 341.329 3.551 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1[O-] ZINC000600188312 1040782482 /nfs/dbraw/zinc/78/24/82/1040782482.db2.gz AAIPZNWSJMJPNC-HNNXBMFYSA-N -1 1 342.345 3.562 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2c2ccccc2Cl)c1 ZINC000614296970 1040947218 /nfs/dbraw/zinc/94/72/18/1040947218.db2.gz COTVOLHFDQXKSF-KRWDZBQOSA-N -1 1 326.783 3.895 20 30 EHEDMM CC(C)CCOc1ccccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000481476151 1040948310 /nfs/dbraw/zinc/94/83/10/1040948310.db2.gz FGCDSECIMSLVGU-UHFFFAOYSA-N -1 1 338.407 3.619 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc3ccccc3n2C2CCCC2)c1 ZINC000614298847 1040952954 /nfs/dbraw/zinc/95/29/54/1040952954.db2.gz LOMVRKLBKXQANR-UHFFFAOYSA-N -1 1 346.390 3.981 20 30 EHEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000614300912 1040967621 /nfs/dbraw/zinc/96/76/21/1040967621.db2.gz ZAJKTLOLWJQAKK-CQSZACIVSA-N -1 1 343.386 3.817 20 30 EHEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000614300910 1040969161 /nfs/dbraw/zinc/96/91/61/1040969161.db2.gz ZAJKTLOLWJQAKK-AWEZNQCLSA-N -1 1 343.386 3.817 20 30 EHEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000433295827 1041250065 /nfs/dbraw/zinc/25/00/65/1041250065.db2.gz GAEHVMACNBOKFN-UHFFFAOYSA-N -1 1 330.771 3.957 20 30 EHEDMM CN(C)c1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000670138948 1120979503 /nfs/dbraw/zinc/97/95/03/1120979503.db2.gz QMAPQCQLUZZGBC-AWEZNQCLSA-N -1 1 327.453 3.997 20 30 EHEDMM CCOc1cc(C(=O)Nc2cccc(OCC#N)c2)cc(Cl)c1[O-] ZINC000762581155 1121364297 /nfs/dbraw/zinc/36/42/97/1121364297.db2.gz BDOUVUXFKOELDQ-UHFFFAOYSA-N -1 1 346.770 3.599 20 30 EHEDMM COC(=O)c1ccc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)o1 ZINC000124763056 1122295181 /nfs/dbraw/zinc/29/51/81/1122295181.db2.gz GGDVPKQIKRCXPU-LLVKDONJSA-N -1 1 344.392 3.570 20 30 EHEDMM CSc1cccc(C)c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463915 1125350353 /nfs/dbraw/zinc/35/03/53/1125350353.db2.gz XWTIOGWBFAUHRE-UHFFFAOYSA-N -1 1 332.450 3.584 20 30 EHEDMM CC(N=Nc1ncccc1[N+](=O)[O-])c1cc(Cl)c(Cl)cc1[O-] ZINC000766025065 1129825182 /nfs/dbraw/zinc/82/51/82/1129825182.db2.gz HUBCKEZDZRNWOB-UHFFFAOYSA-N -1 1 341.154 3.838 20 30 EHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc(F)c(Br)c1 ZINC000733805958 1131080587 /nfs/dbraw/zinc/08/05/87/1131080587.db2.gz SIVMKWASHXLNOD-MKMNVTDBSA-N -1 1 335.128 3.910 20 30 EHEDMM C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768266184 1133119243 /nfs/dbraw/zinc/11/92/43/1133119243.db2.gz NFMUPOPSXHJMOF-MRXNPFEDSA-N -1 1 332.762 3.937 20 30 EHEDMM Cc1c(Cl)cc(NC(=O)CCC(=O)C2=CC=C[CH]2)c(O)c1Cl ZINC001184245682 1133915038 /nfs/dbraw/zinc/91/50/38/1133915038.db2.gz XABVTBCLVQVLLL-UHFFFAOYSA-N -1 1 339.198 3.996 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)ccc1Cl ZINC001185532759 1134104753 /nfs/dbraw/zinc/10/47/53/1134104753.db2.gz QTYGUDREACSQJB-UHFFFAOYSA-N -1 1 338.791 3.654 20 30 EHEDMM N#Cc1ccc(NC(=O)NCc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC001186815913 1134261776 /nfs/dbraw/zinc/26/17/76/1134261776.db2.gz HRTMRHHJBSDSAO-UHFFFAOYSA-N -1 1 335.285 3.604 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc(OC)c1OC ZINC001187992514 1134409434 /nfs/dbraw/zinc/40/94/34/1134409434.db2.gz NGNQKGBYEAVQNR-UHFFFAOYSA-N -1 1 329.462 3.806 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cn(CC2CCC2)cn1 ZINC001188002135 1134410936 /nfs/dbraw/zinc/41/09/36/1134410936.db2.gz XHRLFMSBCXFIPC-UHFFFAOYSA-N -1 1 327.494 3.785 20 30 EHEDMM N#Cc1ccc(NC(=O)c2cc(F)c(F)c(C(F)(F)F)c2)c([O-])c1 ZINC001189348076 1134569379 /nfs/dbraw/zinc/56/93/79/1134569379.db2.gz ASOPGUMPKDELKJ-UHFFFAOYSA-N -1 1 342.223 3.813 20 30 EHEDMM N#Cc1cccc([O-])c1NC(=O)NCc1ccc(Cl)cc1Cl ZINC001190099096 1134656013 /nfs/dbraw/zinc/65/60/13/1134656013.db2.gz XEATUZGUQNKKKG-UHFFFAOYSA-N -1 1 336.178 3.892 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1Cl ZINC001190463421 1134704439 /nfs/dbraw/zinc/70/44/39/1134704439.db2.gz BVGLMQSBCSQMHT-UHFFFAOYSA-N -1 1 332.812 3.890 20 30 EHEDMM N#Cc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC001190746555 1134745436 /nfs/dbraw/zinc/74/54/36/1134745436.db2.gz RGNVGLUIGIDSJT-UHFFFAOYSA-N -1 1 337.257 3.806 20 30 EHEDMM C=CCC1(S(=O)(=O)[N-]c2cccnc2OCc2ccccc2)CC1 ZINC001190774150 1134749995 /nfs/dbraw/zinc/74/99/95/1134749995.db2.gz ZHENXZCRUYKOEM-UHFFFAOYSA-N -1 1 344.436 3.511 20 30 EHEDMM C=CCC1(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)CC1 ZINC001190805250 1134752753 /nfs/dbraw/zinc/75/27/53/1134752753.db2.gz FRJPJZQDAIMFGO-UHFFFAOYSA-N -1 1 341.432 3.768 20 30 EHEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(F)c1F ZINC001190969861 1134773179 /nfs/dbraw/zinc/77/31/79/1134773179.db2.gz OVNJBYYGXVATPG-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM COc1ccccc1-c1cccc(C(=O)Nc2ccc(C#N)cc2[O-])n1 ZINC001192317032 1134997947 /nfs/dbraw/zinc/99/79/47/1134997947.db2.gz URAUEMBEPPEUSP-UHFFFAOYSA-N -1 1 345.358 3.587 20 30 EHEDMM N#Cc1ccc(C(=O)[N-]c2c(F)cc(F)c(F)c2Br)o1 ZINC001192684211 1135045719 /nfs/dbraw/zinc/04/57/19/1135045719.db2.gz ZTVZGYWZVLYZLU-UHFFFAOYSA-N -1 1 345.074 3.583 20 30 EHEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000121511708 1135799735 /nfs/dbraw/zinc/79/97/35/1135799735.db2.gz CFDFONRVGSQMMO-LREOWRDNSA-N -1 1 343.766 3.898 20 30 EHEDMM Cc1nc(-c2cccc(NC(=O)c3cc([O-])cc(C#N)c3)c2)[nH]c1C ZINC000809622952 1135862070 /nfs/dbraw/zinc/86/20/70/1135862070.db2.gz ONKDFSAXAQENEL-UHFFFAOYSA-N -1 1 332.363 3.523 20 30 EHEDMM CSc1nc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2s1 ZINC000776596619 1136457771 /nfs/dbraw/zinc/45/77/71/1136457771.db2.gz NZQPCCFCCAOEKU-UHFFFAOYSA-N -1 1 341.417 3.848 20 30 EHEDMM [O-]c1cccc(CN=Nc2ncnc3sc4c(c32)CCC4)c1Cl ZINC000814726381 1136495255 /nfs/dbraw/zinc/49/52/55/1136495255.db2.gz SOQNXDSYZIHYNT-UHFFFAOYSA-N -1 1 344.827 3.985 20 30 EHEDMM Cc1cc(=O)[n-]c(NN=Cc2c(Cl)ccc(Cl)c2Cl)n1 ZINC000818195184 1136865628 /nfs/dbraw/zinc/86/56/28/1136865628.db2.gz VUSGWWRFYRCIHR-UHFFFAOYSA-N -1 1 331.590 3.897 20 30 EHEDMM C=CCn1cc(CN[C@@H](CC)c2cc(Cl)cc(Cl)c2[O-])nn1 ZINC000818346165 1136873873 /nfs/dbraw/zinc/87/38/73/1136873873.db2.gz AFYVYTZFPCGZTO-AWEZNQCLSA-N -1 1 341.242 3.717 20 30 EHEDMM CC[C@]1(C)CCCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000844581145 1137237796 /nfs/dbraw/zinc/23/77/96/1137237796.db2.gz IRNHMNJAMXQULV-QGZVFWFLSA-N -1 1 330.436 3.655 20 30 EHEDMM Cc1nc(SCc2ccc(OCC#N)cc2)[n-]c(=O)c1C1CC1 ZINC000865373382 1137278202 /nfs/dbraw/zinc/27/82/02/1137278202.db2.gz RNRYEJQIVHLGSE-UHFFFAOYSA-N -1 1 327.409 3.563 20 30 EHEDMM N#CC1(c2ccccc2F)CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144567629 1137311273 /nfs/dbraw/zinc/31/12/73/1137311273.db2.gz VYOUROXYGQBROQ-UHFFFAOYSA-N -1 1 346.352 3.867 20 30 EHEDMM O=C(/C=C/c1ccc(Cl)cc1-n1cncn1)c1ccc([O-])cc1 ZINC000794926097 1137359352 /nfs/dbraw/zinc/35/93/52/1137359352.db2.gz IVSIYAMQQRTDPH-XBXARRHUSA-N -1 1 325.755 3.522 20 30 EHEDMM Cc1ccc([O-])c(C(=O)/C=C\c2ccc(Cl)cc2-n2cncn2)c1 ZINC000794940674 1137368270 /nfs/dbraw/zinc/36/82/70/1137368270.db2.gz CHDZTIANHSNHSG-DAXSKMNVSA-N -1 1 339.782 3.831 20 30 EHEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C(C)C)s2)cc1 ZINC000122437547 1137437325 /nfs/dbraw/zinc/43/73/25/1137437325.db2.gz XQVGXXMEANFOEY-CQSZACIVSA-N -1 1 341.436 3.790 20 30 EHEDMM N#CCCC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339229997 1141535033 /nfs/dbraw/zinc/53/50/33/1141535033.db2.gz CXRMNFQCRHKPSR-QGZVFWFLSA-N -1 1 325.368 3.825 20 30 EHEDMM CC(C)c1csc(C(C#N)C(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000824475918 603440405 /nfs/dbraw/zinc/44/04/05/603440405.db2.gz COUMFTBFASVZPX-LBPRGKRZSA-N -1 1 329.381 3.846 20 30 EHEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(C)c(NC(=O)[O-])c3)[nH]c21 ZINC000830177434 603453052 /nfs/dbraw/zinc/45/30/52/603453052.db2.gz ZRGIAJJOPJSDOM-CYBMUJFWSA-N -1 1 348.362 3.760 20 30 EHEDMM CC(C)Oc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820155335 606388567 /nfs/dbraw/zinc/38/85/67/606388567.db2.gz OQFOIQKPWGMZLS-VQHVLOKHSA-N -1 1 340.408 3.612 20 30 EHEDMM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826476040 608109621 /nfs/dbraw/zinc/10/96/21/608109621.db2.gz ZMCOLFNJDIAIGZ-ZMTLZGASSA-N -1 1 334.404 3.628 20 30 EHEDMM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826476038 608109660 /nfs/dbraw/zinc/10/96/60/608109660.db2.gz ZMCOLFNJDIAIGZ-IGVUGNCQSA-N -1 1 334.404 3.628 20 30 EHEDMM C=CCN(CC1CCCCC1)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573340790 947521334 /nfs/dbraw/zinc/52/13/34/947521334.db2.gz AMJXQJUZLDWZKQ-UHFFFAOYSA-N -1 1 338.868 3.549 20 30 EHEDMM CC[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(F)ccc1OC ZINC001595276392 980299782 /nfs/dbraw/zinc/29/97/82/980299782.db2.gz GBNMTZATMBEQLT-FUHWJXTLSA-N -1 1 342.370 3.573 20 30 EHEDMM CC[C@](NCc1cccc(C#N)c1F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595299625 980429505 /nfs/dbraw/zinc/42/95/05/980429505.db2.gz AEKJVDJGOVLFMC-GOSISDBHSA-N -1 1 346.789 3.830 20 30 EHEDMM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCc2ccc(F)cc21 ZINC001594542171 986179216 /nfs/dbraw/zinc/17/92/16/986179216.db2.gz FEPUHHLURGZBLH-ZDUSSCGKSA-N -1 1 338.382 3.557 20 30 EHEDMM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189197333 1016488127 /nfs/dbraw/zinc/48/81/27/1016488127.db2.gz DEPRRSRBIOLMRN-LLVKDONJSA-N -1 1 348.324 3.644 20 30 EHEDMM N#Cc1ccccc1CSCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000302542142 1017757149 /nfs/dbraw/zinc/75/71/49/1017757149.db2.gz UKNOGQQONASGLY-UHFFFAOYSA-N -1 1 346.839 3.580 20 30 EHEDMM Cc1cc(C#N)ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000119277430 1019862693 /nfs/dbraw/zinc/86/26/93/1019862693.db2.gz SUNBTEBRXXXZOT-UHFFFAOYSA-N -1 1 331.169 3.587 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1F ZINC000307930375 1020264937 /nfs/dbraw/zinc/26/49/37/1020264937.db2.gz BTCWMAOFWUFALX-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM C=CCCN(C)C(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430621359 1021209689 /nfs/dbraw/zinc/20/96/89/1021209689.db2.gz JBLBATZZSRIOML-UHFFFAOYSA-N -1 1 348.402 3.969 20 30 EHEDMM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc([O-])cc1F ZINC000436859640 1021298156 /nfs/dbraw/zinc/29/81/56/1021298156.db2.gz BQZLINAUYZOEIP-UHFFFAOYSA-N -1 1 332.334 3.578 20 30 EHEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C ZINC000427353212 1021320776 /nfs/dbraw/zinc/32/07/76/1021320776.db2.gz WZZHCBLPSZJAGG-UHFFFAOYSA-N -1 1 336.413 3.529 20 30 EHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438760476 1022977418 /nfs/dbraw/zinc/97/74/18/1022977418.db2.gz WJUSPFLRYMXZBB-UHFFFAOYSA-N -1 1 347.415 3.629 20 30 EHEDMM CC[C@H]1C[C@@H](C(=O)Nc2cc(-c3nnco3)ccc2C)CC([O-])=N1 ZINC000329666263 1024023121 /nfs/dbraw/zinc/02/31/21/1024023121.db2.gz KXCHNBCCNJVEQU-OLZOCXBDSA-N -1 1 328.372 3.778 20 30 EHEDMM C=CCCCS(=O)(=O)[N-]c1cc(CCc2ccccc2)ccn1 ZINC000427765688 1024782127 /nfs/dbraw/zinc/78/21/27/1024782127.db2.gz 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ZINC000813214177 1136303255 /nfs/dbraw/zinc/30/32/55/1136303255.db2.gz UCKNFOCLECPFJE-ZIYVKSGCSA-N -1 1 335.260 3.524 20 30 EHEDMM CCC(C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)(CC)CC ZINC000814846264 1136515153 /nfs/dbraw/zinc/51/51/53/1136515153.db2.gz CSWOONBIOUAJAN-UHFFFAOYSA-N -1 1 332.452 3.901 20 30 EHEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000825011637 1137160146 /nfs/dbraw/zinc/16/01/46/1137160146.db2.gz QWYQLEBHQZIFBF-JSGCOSHPSA-N -1 1 339.361 3.668 20 30 EHEDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000794590149 1137217705 /nfs/dbraw/zinc/21/77/05/1137217705.db2.gz QGQPKORGOADIAK-UHFFFAOYSA-N -1 1 344.436 3.691 20 30 EHEDMM O=C(/C=C/c1c(Cl)nc2cc(Cl)ccn21)c1cc(O)ccc1[O-] ZINC000794703973 1137240133 /nfs/dbraw/zinc/24/01/33/1137240133.db2.gz XTEJMBHBOAODKS-DUXPYHPUSA-N -1 1 349.173 3.948 20 30 EHEDMM O=C(/C=C\c1c(Cl)nc2cc(Cl)ccn21)c1cc(O)ccc1[O-] ZINC000794703974 1137240278 /nfs/dbraw/zinc/24/02/78/1137240278.db2.gz XTEJMBHBOAODKS-RQOWECAXSA-N -1 1 349.173 3.948 20 30 EHEDMM N#CC(C(=O)c1sccc1Br)=C([O-])C=C1CCCC1 ZINC000845847412 1137317409 /nfs/dbraw/zinc/31/74/09/1137317409.db2.gz RCSXZBBQRCUZPZ-JTQLQIEISA-N -1 1 338.226 3.903 20 30 EHEDMM C#C[C@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)c1ccc(F)cc1 ZINC000794892457 1137325568 /nfs/dbraw/zinc/32/55/68/1137325568.db2.gz UQXRCMAHHATCMO-HNNXBMFYSA-N -1 1 347.773 3.688 20 30 EHEDMM C[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc(C#N)c1[O-] ZINC000866322062 1137345441 /nfs/dbraw/zinc/34/54/41/1137345441.db2.gz RWCLOEMAXFJAEF-KBXCAEBGSA-N -1 1 338.407 3.995 20 30 EHEDMM C[C@@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1cccc(C#N)c1[O-] ZINC000866334242 1137346684 /nfs/dbraw/zinc/34/66/84/1137346684.db2.gz VJMOIZBBIDRWNZ-HUUCEWRRSA-N -1 1 337.423 3.662 20 30 EHEDMM CCNC(=O)Nc1cccc(N[C@@H](C)c2cccc(C#N)c2[O-])c1C ZINC000866348743 1137347971 /nfs/dbraw/zinc/34/79/71/1137347971.db2.gz DTERUXHPZPMZDG-ZDUSSCGKSA-N -1 1 338.411 3.887 20 30 EHEDMM C=C[C@H](C)O[N-]C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C ZINC000846551467 1137355213 /nfs/dbraw/zinc/35/52/13/1137355213.db2.gz VOZBYRHUQLENEL-LBPRGKRZSA-N -1 1 347.846 3.616 20 30 EHEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1nc(Br)ccc1F ZINC000794969828 1137382768 /nfs/dbraw/zinc/38/27/68/1137382768.db2.gz KOROLQKQLHPNOC-DJWKRKHSSA-N -1 1 340.123 3.724 20 30 EHEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001148260337 1137421044 /nfs/dbraw/zinc/42/10/44/1137421044.db2.gz DYDUQSQMIFMLKW-MRXNPFEDSA-N -1 1 346.814 3.608 20 30 EHEDMM CC(C)Oc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)cc1C#N ZINC001148775070 1137434952 /nfs/dbraw/zinc/43/49/52/1137434952.db2.gz PIHMRYUUHVLSOM-UHFFFAOYSA-N -1 1 330.771 3.957 20 30 EHEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(C(C)C)s2)c1 ZINC000122419219 1137436919 /nfs/dbraw/zinc/43/69/19/1137436919.db2.gz HIZQGVLMKSQVLF-ZDUSSCGKSA-N -1 1 327.409 3.536 20 30 EHEDMM [O-]c1cccc(C=NNC[C@H]2CCCC2(F)F)c1Br ZINC000872405671 1137579486 /nfs/dbraw/zinc/57/94/86/1137579486.db2.gz PXKSXZZUFIKJQX-SNVBAGLBSA-N -1 1 333.176 3.514 20 30 EHEDMM CN(Cc1ccc(F)cc1Cl)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737476617 600570396 /nfs/dbraw/zinc/57/03/96/600570396.db2.gz LKJDDNJFNWWZGE-MRXNPFEDSA-N -1 1 332.762 3.608 20 30 EHEDMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)cc1Cl ZINC000736661369 600598891 /nfs/dbraw/zinc/59/88/91/600598891.db2.gz GDYOJEGAJAZEGZ-MGPLVRAMSA-N -1 1 332.762 3.827 20 30 EHEDMM CC(=NN=c1ccc2ccccc2[nH]1)c1ccccc1OCC(=O)[O-] ZINC000833387181 605323482 /nfs/dbraw/zinc/32/34/82/605323482.db2.gz SKVYAFVIDCGMOH-UHFFFAOYSA-N -1 1 335.363 3.534 20 30 EHEDMM CCC[C@H](C)C(CC)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000821014545 606237584 /nfs/dbraw/zinc/23/75/84/606237584.db2.gz IRYURFGVMZHTAM-JTQLQIEISA-N -1 1 333.440 3.766 20 30 EHEDMM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc(C)c1F ZINC000822161484 606392121 /nfs/dbraw/zinc/39/21/21/606392121.db2.gz PQSQULYWCOSYIB-HWKANZROSA-N -1 1 328.372 3.580 20 30 EHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCC[C@@H](C)c2ccccc2)o1 ZINC000824352769 607886541 /nfs/dbraw/zinc/88/65/41/607886541.db2.gz MQYZHFRJBQUIPW-GFCCVEGCSA-N -1 1 339.403 3.570 20 30 EHEDMM CC(C)Oc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824333429 608091710 /nfs/dbraw/zinc/09/17/10/608091710.db2.gz JQCQBVGWAVIEJQ-BQYQJAHWSA-N -1 1 340.408 3.612 20 30 EHEDMM CC(C)Oc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824333429 608091711 /nfs/dbraw/zinc/09/17/11/608091711.db2.gz JQCQBVGWAVIEJQ-BQYQJAHWSA-N -1 1 340.408 3.612 20 30 EHEDMM CC(C)Oc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000824334270 608092484 /nfs/dbraw/zinc/09/24/84/608092484.db2.gz UEMOIMJIHOZMOC-SREVYHEPSA-N -1 1 340.408 3.612 20 30 EHEDMM CC(C)Oc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824334270 608092485 /nfs/dbraw/zinc/09/24/85/608092485.db2.gz UEMOIMJIHOZMOC-SREVYHEPSA-N -1 1 340.408 3.612 20 30 EHEDMM COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(OC)c1 ZINC000080452533 1032064378 /nfs/dbraw/zinc/06/43/78/1032064378.db2.gz HYTXXACWRNZIOM-ZDUSSCGKSA-N -1 1 330.409 3.774 20 30 EHEDMM Cc1cccc2cc(C=NNc3ccc(C(=O)[O-])cn3)c(Cl)nc12 ZINC000763368463 978721375 /nfs/dbraw/zinc/72/13/75/978721375.db2.gz LSKMEUKJJLNQND-UHFFFAOYSA-N -1 1 340.770 3.736 20 30 EHEDMM CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000059771844 1015584466 /nfs/dbraw/zinc/58/44/66/1015584466.db2.gz LDLJSZPBTLNAEN-UHFFFAOYSA-N -1 1 338.841 3.734 20 30 EHEDMM C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593208212 994221794 /nfs/dbraw/zinc/22/17/94/994221794.db2.gz HAEJLTCHTUQXOR-GXTWGEPZSA-N -1 1 329.425 3.927 20 30 EHEDMM COCc1nc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)co1 ZINC000574136686 1032728481 /nfs/dbraw/zinc/72/84/81/1032728481.db2.gz NTBVOAKGGRRUOI-ZJUUUORDSA-N -1 1 345.424 3.692 20 30 EHEDMM CNc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000047376781 1018773284 /nfs/dbraw/zinc/77/32/84/1018773284.db2.gz XISLUXLYGQDXMF-CQSZACIVSA-N -1 1 346.346 3.675 20 30 EHEDMM COc1ccc(OC(F)F)c(/C=C\C(=O)c2cc(O)ccc2[O-])c1 ZINC000255337054 1021210294 /nfs/dbraw/zinc/21/02/94/1021210294.db2.gz BQVCOWFMVOIHMB-DJWKRKHSSA-N -1 1 336.290 3.604 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1[O-] ZINC000188363075 1022116183 /nfs/dbraw/zinc/11/61/83/1022116183.db2.gz LHYUFKIQQUILBX-CYBMUJFWSA-N -1 1 346.173 3.565 20 30 EHEDMM C=CCn1c(-c2sc(NC(=O)C=CC=CC)nc2C)n[n-]c1=S ZINC000110814294 1022356585 /nfs/dbraw/zinc/35/65/85/1022356585.db2.gz GPKSLQWXCPXVNJ-GFGVWQOPSA-N -1 1 347.469 3.629 20 30 EHEDMM C=CCOc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000426806399 1023046172 /nfs/dbraw/zinc/04/61/72/1023046172.db2.gz BVJRROZUBGOVBZ-SFHVURJKSA-N -1 1 347.361 3.835 20 30 EHEDMM CC(=O)N(c1nc(/C=C/C(=O)c2cc(C)ccc2[O-])cs1)C1CC1 ZINC000156700927 1024466083 /nfs/dbraw/zinc/46/60/83/1024466083.db2.gz TWLWEXMQCGHPJX-XBXARRHUSA-N -1 1 342.420 3.569 20 30 EHEDMM Cc1ccc(-c2cc(=NC(=O)c3ccc(C#N)c(Cl)c3)[nH][n-]2)s1 ZINC000548646006 1024997762 /nfs/dbraw/zinc/99/77/62/1024997762.db2.gz HKRBWTGYVILMQL-UHFFFAOYSA-N -1 1 342.811 3.646 20 30 EHEDMM C=CCN(Cc1ccccc1)C(=O)c1ccc(Br)cc1[O-] ZINC000436755989 1026144306 /nfs/dbraw/zinc/14/43/06/1026144306.db2.gz BMCLUGMNYJNKDG-UHFFFAOYSA-N -1 1 346.224 3.983 20 30 EHEDMM COc1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc(Cl)c1[O-] ZINC000135216524 1027041443 /nfs/dbraw/zinc/04/14/43/1027041443.db2.gz DYWKUZHKUULMAS-HNNXBMFYSA-N -1 1 344.798 3.829 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1Cl ZINC000135926223 1028464007 /nfs/dbraw/zinc/46/40/07/1028464007.db2.gz SCXPMRHMBAAUAJ-UHFFFAOYSA-N -1 1 343.795 3.561 20 30 EHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000343012679 1028649397 /nfs/dbraw/zinc/64/93/97/1028649397.db2.gz QROURWUTDZHSNY-UHFFFAOYSA-N -1 1 340.404 3.600 20 30 EHEDMM C=CCOc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1OC ZINC000445475487 1028857817 /nfs/dbraw/zinc/85/78/17/1028857817.db2.gz USRWCBBQJCHUGS-UHFFFAOYSA-N -1 1 342.326 3.822 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(C(=O)OC(C)(C)C)c2)n1 ZINC000093242890 1030575882 /nfs/dbraw/zinc/57/58/82/1030575882.db2.gz IVXJWCJQFLWGDA-CQSZACIVSA-N -1 1 342.420 3.897 20 30 EHEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1csnc1C ZINC000761092951 1033709583 /nfs/dbraw/zinc/70/95/83/1033709583.db2.gz KOEXAIGHRWJOOX-CQSZACIVSA-N -1 1 341.436 3.538 20 30 EHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1Cl ZINC000603970185 1034084304 /nfs/dbraw/zinc/08/43/04/1034084304.db2.gz OBIOMSQLJJXFSA-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188419926 1034460083 /nfs/dbraw/zinc/46/00/83/1034460083.db2.gz FJBVDPFJDHHLKT-KRWDZBQOSA-N -1 1 338.432 3.503 20 30 EHEDMM COc1ccc(OC(F)F)c(/C=C/C(=O)c2cc(O)ccc2[O-])c1 ZINC000156649708 1035572668 /nfs/dbraw/zinc/57/26/68/1035572668.db2.gz BQVCOWFMVOIHMB-GORDUTHDSA-N -1 1 336.290 3.604 20 30 EHEDMM COc1ccc(/C=C/C(=O)c2cc(C)ccc2[O-])c(OC)c1OC ZINC000156700162 1035632659 /nfs/dbraw/zinc/63/26/59/1035632659.db2.gz MVBFALCFDWJKPK-RMKNXTFCSA-N -1 1 328.364 3.623 20 30 EHEDMM N#C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000613504794 1036142088 /nfs/dbraw/zinc/14/20/88/1036142088.db2.gz COKFRRVJBJSZKP-ZDUSSCGKSA-N -1 1 339.153 3.833 20 30 EHEDMM N#C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000613504829 1036143702 /nfs/dbraw/zinc/14/37/02/1036143702.db2.gz JQTYKNIKLAGUTJ-ZDUSSCGKSA-N -1 1 338.260 3.545 20 30 EHEDMM N#C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(Cl)c1Cl ZINC000613505011 1036143932 /nfs/dbraw/zinc/14/39/32/1036143932.db2.gz YQKCEJJAAVGPQA-LBPRGKRZSA-N -1 1 339.153 3.833 20 30 EHEDMM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589170183 1036269526 /nfs/dbraw/zinc/26/95/26/1036269526.db2.gz HEKWYOLKJLSUKF-UHFFFAOYSA-N -1 1 334.297 3.555 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc(C)c1F ZINC000460439662 1036285434 /nfs/dbraw/zinc/28/54/34/1036285434.db2.gz NKMSOQLDCLKJLB-UHFFFAOYSA-N -1 1 338.791 3.768 20 30 EHEDMM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000045571176 1036511226 /nfs/dbraw/zinc/51/12/26/1036511226.db2.gz AKCIRSQALUVHPD-ZCFIWIBFSA-N -1 1 334.685 3.532 20 30 EHEDMM C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000591535761 1037477555 /nfs/dbraw/zinc/47/75/55/1037477555.db2.gz IGCVQMZVSAFYHL-FQEVSTJZSA-N -1 1 338.382 3.640 20 30 EHEDMM C=CCCC[C@H](C)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000378440232 1038621812 /nfs/dbraw/zinc/62/18/12/1038621812.db2.gz ANEICCPAIRCINQ-HNNXBMFYSA-N -1 1 344.455 3.741 20 30 EHEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C ZINC000539193720 1038730511 /nfs/dbraw/zinc/73/05/11/1038730511.db2.gz OHRUBNYUBGUYSX-UHFFFAOYSA-N -1 1 332.450 3.698 20 30 EHEDMM Cc1nc(C#N)c(-n2[n-]c(-c3cccc(Cl)c3)c(C(C)C)c2=O)o1 ZINC000899348940 1040367967 /nfs/dbraw/zinc/36/79/67/1040367967.db2.gz PYCKNSHHLNWNAD-AWEZNQCLSA-N -1 1 342.786 3.531 20 30 EHEDMM CC(C)(C)c1ccccc1OCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029389050 1040567773 /nfs/dbraw/zinc/56/77/73/1040567773.db2.gz NXOWFBDJRUYYIA-UHFFFAOYSA-N -1 1 342.321 3.788 20 30 EHEDMM N#C[C@@]1(C(=O)Nc2cccc([O-])c2Br)CC12CCCC2 ZINC000908706531 1040601910 /nfs/dbraw/zinc/60/19/10/1040601910.db2.gz DDUHZWRYXGHNBY-OAHLLOKOSA-N -1 1 335.201 3.567 20 30 EHEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1Br ZINC000614293871 1040951371 /nfs/dbraw/zinc/95/13/71/1040951371.db2.gz CTBIFKZQGJPVOY-UHFFFAOYSA-N -1 1 331.169 3.587 20 30 EHEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000614293513 1040956170 /nfs/dbraw/zinc/95/61/70/1040956170.db2.gz XFCXANNOPTXEHE-JTQLQIEISA-N -1 1 334.297 3.774 20 30 EHEDMM CCCN(CCC#N)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141372953 1042737672 /nfs/dbraw/zinc/73/76/72/1042737672.db2.gz GIPQRCGMQUYCCW-UHFFFAOYSA-N -1 1 331.641 3.934 20 30 EHEDMM N#Cc1ccsc1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000184928032 1126715159 /nfs/dbraw/zinc/71/51/59/1126715159.db2.gz IQJBYXHHINTDSW-UHFFFAOYSA-N -1 1 343.339 3.578 20 30 EHEDMM CCC1(CNC(=O)c2cc(Br)ccc2[O-])CCOCC1 ZINC000331249835 1126749575 /nfs/dbraw/zinc/74/95/75/1126749575.db2.gz XVEXWCMSJRMCTO-UHFFFAOYSA-N -1 1 342.233 3.666 20 30 EHEDMM CCn1nc(C)c(C(=O)/C=C/c2ccc([O-])c(Br)c2)c1C ZINC000131158082 1126821860 /nfs/dbraw/zinc/82/18/60/1126821860.db2.gz ZLFNXMDAHBRXDP-SOFGYWHQSA-N -1 1 349.228 3.884 20 30 EHEDMM O=C(/C=C/c1cc(Br)cc2c1OCC2)c1ccc([O-])cc1 ZINC000764916410 1127551187 /nfs/dbraw/zinc/55/11/87/1127551187.db2.gz ZHDIPZKPSBZMGV-ZZXKWVIFSA-N -1 1 345.192 3.986 20 30 EHEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000153536404 1121282703 /nfs/dbraw/zinc/28/27/03/1121282703.db2.gz KNWSHRJYYWKVAL-UHFFFAOYSA-N -1 1 332.828 3.620 20 30 EHEDMM COC(=O)c1ccc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)o1 ZINC000124763296 1122295246 /nfs/dbraw/zinc/29/52/46/1122295246.db2.gz GGDVPKQIKRCXPU-NSHDSACASA-N -1 1 344.392 3.570 20 30 EHEDMM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000916883486 1122379119 /nfs/dbraw/zinc/37/91/19/1122379119.db2.gz RVCOKTGXUKAFDJ-GFCCVEGCSA-N -1 1 346.795 3.565 20 30 EHEDMM N#Cc1ccc(F)cc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000130746588 1122991853 /nfs/dbraw/zinc/99/18/53/1122991853.db2.gz 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CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc2n[nH]cc2c1 ZINC001589016829 984998231 /nfs/dbraw/zinc/99/82/31/984998231.db2.gz LBCNWUHWMLQCLX-UHFFFAOYSA-N -1 1 328.759 3.751 20 30 EHEDMM CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001594724980 987225252 /nfs/dbraw/zinc/22/52/52/987225252.db2.gz HHXZJUGBYMAFNR-WFASDCNBSA-N -1 1 328.368 3.510 20 30 EHEDMM CC(C)[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc(F)cc1 ZINC001591030265 991330790 /nfs/dbraw/zinc/33/07/90/991330790.db2.gz HGDLILWJUMZYRP-GOSISDBHSA-N -1 1 326.371 3.882 20 30 EHEDMM CCOc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614357746 1018845782 /nfs/dbraw/zinc/84/57/82/1018845782.db2.gz SEXJMVOZOZEUKZ-IBGZPJMESA-N -1 1 336.391 3.640 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000614367067 1018870267 /nfs/dbraw/zinc/87/02/67/1018870267.db2.gz IURYXODSXGLETF-AWEZNQCLSA-N -1 1 346.173 3.565 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 ZINC000614367397 1018875717 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CCOc1ccccc1C1=CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000442948102 1025615534 /nfs/dbraw/zinc/61/55/34/1025615534.db2.gz UGLYZQYPVCGMMH-UHFFFAOYSA-N -1 1 348.402 3.592 20 30 EHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000016097201 1028638857 /nfs/dbraw/zinc/63/88/57/1028638857.db2.gz SBDYZYRWBJHNDX-UHFFFAOYSA-N -1 1 346.411 3.930 20 30 EHEDMM N#Cc1ccc(CCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445448952 1028782822 /nfs/dbraw/zinc/78/28/22/1028782822.db2.gz MSTSTHJSYMZBRT-UHFFFAOYSA-N -1 1 325.755 3.752 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)ccc1C#N ZINC000446808210 1029805758 /nfs/dbraw/zinc/80/57/58/1029805758.db2.gz JUUAXTSYZTVPPN-UHFFFAOYSA-N -1 1 349.415 3.730 20 30 EHEDMM N#CCc1cccc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)c1 ZINC000536042784 1029890906 /nfs/dbraw/zinc/89/09/06/1029890906.db2.gz ZHJQZRDYTOZPLY-UHFFFAOYSA-N -1 1 342.811 3.532 20 30 EHEDMM C=CCCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000447928595 1030606500 /nfs/dbraw/zinc/60/65/00/1030606500.db2.gz 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C=C[C@](C)(CC)C(=O)OCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000785762720 1133750246 /nfs/dbraw/zinc/75/02/46/1133750246.db2.gz WIMAUFHXSWNERA-LJQANCHMSA-N -1 1 330.380 3.707 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2)ccc1Cl ZINC001185530155 1134104750 /nfs/dbraw/zinc/10/47/50/1134104750.db2.gz VYSNNOPPDWBALY-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cnc(Cl)cc1OC ZINC001188001008 1134410731 /nfs/dbraw/zinc/41/07/31/1134410731.db2.gz CIWVNOHUFUFXLO-UHFFFAOYSA-N -1 1 334.869 3.846 20 30 EHEDMM CCCCCCCCS(=O)(=O)[N-]c1cc(F)c(OC)cc1OC ZINC001188013272 1134416002 /nfs/dbraw/zinc/41/60/02/1134416002.db2.gz SAJPRZIVYNMAGQ-UHFFFAOYSA-N -1 1 347.452 3.945 20 30 EHEDMM CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000775192146 1134501050 /nfs/dbraw/zinc/50/10/50/1134501050.db2.gz OMOBSBGJRLMMKC-HZPDHXFCSA-N -1 1 335.496 3.683 20 30 EHEDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000793403629 1134926418 /nfs/dbraw/zinc/92/64/18/1134926418.db2.gz CLXKDYJSKKSYHC-UHFFFAOYSA-N -1 1 348.399 3.636 20 30 EHEDMM N#C[C@@H]([N-]C(=O)C(F)(F)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000793452358 1134940071 /nfs/dbraw/zinc/94/00/71/1134940071.db2.gz UERFANQSJUTFQC-OAHLLOKOSA-N -1 1 334.753 3.899 20 30 EHEDMM COc1cccc(-c2ccc(C(=O)Nc3ccc(C#N)cc3[O-])cn2)c1 ZINC001192375536 1135007833 /nfs/dbraw/zinc/00/78/33/1135007833.db2.gz ICSDUTAJAROJBA-UHFFFAOYSA-N -1 1 345.358 3.587 20 30 EHEDMM N#Cc1ccc(NC(=O)Oc2ccc(Br)cc2)c([O-])c1 ZINC001194599228 1135290278 /nfs/dbraw/zinc/29/02/78/1135290278.db2.gz BCFYVVPQMPAQLK-UHFFFAOYSA-N -1 1 333.141 3.637 20 30 EHEDMM N#Cc1cccc([O-])c1NC(=O)Oc1ccc(Br)cc1 ZINC001194599422 1135290911 /nfs/dbraw/zinc/29/09/11/1135290911.db2.gz DKRSBPLNXRDMKP-UHFFFAOYSA-N -1 1 333.141 3.637 20 30 EHEDMM C=CCCOc1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001195125629 1135374300 /nfs/dbraw/zinc/37/43/00/1135374300.db2.gz YDZKQVKKEOZEMZ-UHFFFAOYSA-N -1 1 349.390 3.785 20 30 EHEDMM N#Cc1cccc([O-])c1NC(=S)Nc1ccc(Br)cc1 ZINC001196627599 1135590501 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N#CCOc1cc(F)ccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000119951279 1137219894 /nfs/dbraw/zinc/21/98/94/1137219894.db2.gz INNWXSGSERTXSU-UHFFFAOYSA-N -1 1 336.322 3.839 20 30 EHEDMM COCCOCc1cccc(N[C@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866314641 1137344805 /nfs/dbraw/zinc/34/48/05/1137344805.db2.gz BUFIXULTKNFWTP-CQSZACIVSA-N -1 1 326.396 3.600 20 30 EHEDMM C=CC(C)(C)CCNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001148727079 1137432233 /nfs/dbraw/zinc/43/22/33/1137432233.db2.gz GKJBPOGJQBINNW-UHFFFAOYSA-N -1 1 327.380 3.797 20 30 EHEDMM C=CCCc1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)cc1 ZINC000882712900 1137832322 /nfs/dbraw/zinc/83/23/22/1137832322.db2.gz RDXZUQWUQUKIGR-UHFFFAOYSA-N -1 1 341.383 3.575 20 30 EHEDMM O=C([O-])NC[C@@H]1CCC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1O ZINC000740619735 603317602 /nfs/dbraw/zinc/31/76/02/603317602.db2.gz ICBWWVAKYYRDDK-ZPNNYQIHSA-N -1 1 331.199 3.554 20 30 EHEDMM N#Cc1ccc(CN[C@H]2CCc3cc(NC(=O)[O-])ccc32)c(F)c1 ZINC000833971265 605607289 /nfs/dbraw/zinc/60/72/89/605607289.db2.gz CNNYENZJQRJCGV-KRWDZBQOSA-N -1 1 325.343 3.564 20 30 EHEDMM N#Cc1ccc(CN[C@@H]2CCc3cc(NC(=O)[O-])ccc32)c(F)c1 ZINC000833971266 605607593 /nfs/dbraw/zinc/60/75/93/605607593.db2.gz CNNYENZJQRJCGV-QGZVFWFLSA-N -1 1 325.343 3.564 20 30 EHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2ccccc2c1 ZINC000822922083 606387974 /nfs/dbraw/zinc/38/79/74/606387974.db2.gz CLBBDTRJCQVZLO-VQHVLOKHSA-N -1 1 332.388 3.978 20 30 EHEDMM C[C@@H]1Sc2sccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822000723 606392241 /nfs/dbraw/zinc/39/22/41/606392241.db2.gz VEFGTIMOXIVJLL-LOBLAWFCSA-N -1 1 346.462 3.750 20 30 EHEDMM Clc1cccc(Cl)c1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822585753 606837895 /nfs/dbraw/zinc/83/78/95/606837895.db2.gz MQAPBSXPPJDFPC-UHFFFAOYSA-N -1 1 339.211 3.681 20 30 EHEDMM CSc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826230585 608093653 /nfs/dbraw/zinc/09/36/53/608093653.db2.gz AHFSNGOQPFMJIM-QPJJXVBHSA-N -1 1 328.422 3.546 20 30 EHEDMM CSc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826230585 608093654 /nfs/dbraw/zinc/09/36/54/608093654.db2.gz AHFSNGOQPFMJIM-QPJJXVBHSA-N -1 1 328.422 3.546 20 30 EHEDMM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826400556 608093880 /nfs/dbraw/zinc/09/38/80/608093880.db2.gz BFKHVSPVVLNBPA-DUXPYHPUSA-N -1 1 334.763 3.617 20 30 EHEDMM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826400556 608093881 /nfs/dbraw/zinc/09/38/81/608093881.db2.gz BFKHVSPVVLNBPA-DUXPYHPUSA-N -1 1 334.763 3.617 20 30 EHEDMM COc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])c(C)c1OC ZINC000794888555 978826386 /nfs/dbraw/zinc/82/63/86/978826386.db2.gz RCRUYGNMDGYGMY-UHFFFAOYSA-N -1 1 328.368 3.547 20 30 EHEDMM CC[C@](NCc1ccc(C#N)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595299256 980425790 /nfs/dbraw/zinc/42/57/90/980425790.db2.gz NRODKEBKGGFWGV-GOSISDBHSA-N -1 1 328.799 3.691 20 30 EHEDMM Cc1c(C(C)N=Nc2ccc(C(=O)[O-])c(Cl)c2)cnn1C(C)C ZINC001589016516 984995388 /nfs/dbraw/zinc/99/53/88/984995388.db2.gz SXBSFELDYXBRKR-UHFFFAOYSA-N -1 1 334.807 3.960 20 30 EHEDMM Cc1ccc(C[C@H](C#N)Sc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000127047425 1015195942 /nfs/dbraw/zinc/19/59/42/1015195942.db2.gz BJONVIXRSIOEPR-LLVKDONJSA-N -1 1 339.342 3.736 20 30 EHEDMM C[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc2c(c1)CCCC2 ZINC001599841660 988847688 /nfs/dbraw/zinc/84/76/88/988847688.db2.gz BISAQLVMOMTYBO-CQSZACIVSA-N -1 1 334.419 3.986 20 30 EHEDMM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1cc(O)ccc1[O-] ZINC000255060727 1017280430 /nfs/dbraw/zinc/28/04/30/1017280430.db2.gz DGOZREHMZFLQMM-XQRVVYSFSA-N -1 1 342.301 3.662 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NCC2(c3cccs3)CCCCC2)c1 ZINC000614370069 1018866840 /nfs/dbraw/zinc/86/68/40/1018866840.db2.gz LNYIZZJTRXYDCB-UHFFFAOYSA-N -1 1 340.448 3.957 20 30 EHEDMM Cc1ccc([C@@H]2CSCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614369948 1018867147 /nfs/dbraw/zinc/86/71/47/1018867147.db2.gz CQWRPYGNGIXJRC-SFHVURJKSA-N -1 1 338.432 3.503 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 ZINC000614367396 1018874678 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EHEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1[O-] ZINC000442859285 1025555693 /nfs/dbraw/zinc/55/56/93/1025555693.db2.gz WQZOUEHGUIDAFF-FQEVSTJZSA-N -1 1 346.361 3.922 20 30 EHEDMM CCC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1F ZINC000443050465 1025669331 /nfs/dbraw/zinc/66/93/31/1025669331.db2.gz MUWJNHYOWFLPNS-MRXNPFEDSA-N -1 1 330.334 3.813 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)cc1[O-] ZINC000443053346 1025691653 /nfs/dbraw/zinc/69/16/53/1025691653.db2.gz AXPMSFALOXYQCX-KRWDZBQOSA-N -1 1 342.345 3.909 20 30 EHEDMM CC(C)CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCCc2cccnc21 ZINC000443131021 1025743318 /nfs/dbraw/zinc/74/33/18/1025743318.db2.gz QBVUFXUSNBDSMK-SFHVURJKSA-N -1 1 349.434 3.835 20 30 EHEDMM CCOC(=O)c1scnc1/C=C/C(=O)c1c(C)cc(C)cc1[O-] ZINC000799894805 1027865760 /nfs/dbraw/zinc/86/57/60/1027865760.db2.gz FWACAQPPPVEIKM-AATRIKPKSA-N -1 1 331.393 3.538 20 30 EHEDMM COc1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc(Cl)c1[O-] ZINC000135249280 1027897472 /nfs/dbraw/zinc/89/74/72/1027897472.db2.gz UTKRJMIVKUFXFX-JTQLQIEISA-N -1 1 346.770 3.597 20 30 EHEDMM N#Cc1cnc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c(Cl)c1 ZINC000342933010 1028214146 /nfs/dbraw/zinc/21/41/46/1028214146.db2.gz CROMMTNPZFEJCI-UHFFFAOYSA-N -1 1 341.676 3.583 20 30 EHEDMM COC1CCC(O/C(=N\[O-])c2ccccc2Br)CC1 ZINC001223884186 1029588311 /nfs/dbraw/zinc/58/83/11/1029588311.db2.gz DGEWPVFBDNJQMY-PEZBUJJGSA-N -1 1 328.206 3.559 20 30 EHEDMM O=C([O-])c1cccc(NN=Cc2cc(Cl)c(O)cc2Cl)c1 ZINC000758090321 1031207766 /nfs/dbraw/zinc/20/77/66/1031207766.db2.gz QAESDTMFBKUBGX-UHFFFAOYSA-N -1 1 325.151 3.843 20 30 EHEDMM Cc1cc(C#N)ccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000161467662 1031562266 /nfs/dbraw/zinc/56/22/66/1031562266.db2.gz SGTSHPQCGAQWCW-UHFFFAOYSA-N -1 1 331.169 3.587 20 30 EHEDMM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188226545 1034035702 /nfs/dbraw/zinc/03/57/02/1034035702.db2.gz CNRLHLWQVNJOHA-NSHDSACASA-N -1 1 337.404 3.707 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C\c2c(C3CC3)nc3sccn23)c1 ZINC000255713215 1034264872 /nfs/dbraw/zinc/26/48/72/1034264872.db2.gz GHBPESQALLBBFH-ALCCZGGFSA-N -1 1 340.404 3.884 20 30 EHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000475793164 1035963794 /nfs/dbraw/zinc/96/37/94/1035963794.db2.gz FSJOYWDPQCRCEM-UHFFFAOYSA-N -1 1 340.326 3.572 20 30 EHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(C2CCC2)cc1 ZINC000475795916 1036037718 /nfs/dbraw/zinc/03/77/18/1036037718.db2.gz WZTVEGWBVHBPNG-UHFFFAOYSA-N -1 1 326.421 3.821 20 30 EHEDMM CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589158162 1036282755 /nfs/dbraw/zinc/28/27/55/1036282755.db2.gz PIWVCNBSDJPZNH-UHFFFAOYSA-N -1 1 335.190 3.843 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000589197068 1036304538 /nfs/dbraw/zinc/30/45/38/1036304538.db2.gz WZTCVDNXHZWYIJ-MRXNPFEDSA-N -1 1 342.782 3.561 20 30 EHEDMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1cccc(C#N)c1 ZINC000442911305 1036698552 /nfs/dbraw/zinc/69/85/52/1036698552.db2.gz ZAQDEFRVIPAHRT-QMMMGPOBSA-N -1 1 325.315 3.926 20 30 EHEDMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000057126255 1036707207 /nfs/dbraw/zinc/70/72/07/1036707207.db2.gz GPWCUTHGWRMKHH-ZDUSSCGKSA-N -1 1 330.409 3.536 20 30 EHEDMM CC(C)(c1ccc(F)cc1)C1(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000590884656 1037115424 /nfs/dbraw/zinc/11/54/24/1037115424.db2.gz MQIIAVHYTCTGJK-UHFFFAOYSA-N -1 1 338.382 3.643 20 30 EHEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000006553328 1037305038 /nfs/dbraw/zinc/30/50/38/1037305038.db2.gz QUOGJVNOUADICO-UHFFFAOYSA-N -1 1 341.219 3.860 20 30 EHEDMM COc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)cc1OC ZINC000088804914 1037418878 /nfs/dbraw/zinc/41/88/78/1037418878.db2.gz SENHKECBLLLZII-ZDUSSCGKSA-N -1 1 336.347 3.644 20 30 EHEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(COC2CCCCC2)c1 ZINC000416934890 1039247434 /nfs/dbraw/zinc/24/74/34/1039247434.db2.gz FGGPPFOVUSYEMC-QGZVFWFLSA-N -1 1 336.457 3.580 20 30 EHEDMM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614302580 1040971842 /nfs/dbraw/zinc/97/18/42/1040971842.db2.gz FZONQNGFAKKLLC-GFCCVEGCSA-N -1 1 343.452 3.985 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(OC3CCCC3)cc2)c1 ZINC000586840179 1041034709 /nfs/dbraw/zinc/03/47/09/1041034709.db2.gz ZXTGOVCLZHYLGT-UHFFFAOYSA-N -1 1 336.391 3.515 20 30 EHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C)c2ncccc12 ZINC000193127287 1120928157 /nfs/dbraw/zinc/92/81/57/1120928157.db2.gz ALJPXXMEZCDJHC-UHFFFAOYSA-N -1 1 337.404 3.524 20 30 EHEDMM Cc1ccsc1-c1nsc([N-]C(=O)c2sccc2C#N)n1 ZINC000131906174 1128974886 /nfs/dbraw/zinc/97/48/86/1128974886.db2.gz YIZKOEBNEKCYCC-UHFFFAOYSA-N -1 1 332.435 3.761 20 30 EHEDMM C=CCCc1noc(-c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC000496825949 1122187162 /nfs/dbraw/zinc/18/71/62/1122187162.db2.gz DGSRCXFIYIUWQC-UHFFFAOYSA-N -1 1 331.372 3.908 20 30 EHEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000214125891 1129159350 /nfs/dbraw/zinc/15/93/50/1129159350.db2.gz HEIZKHPAGWUFMK-XFSBKJJWSA-N -1 1 343.810 3.778 20 30 EHEDMM Cc1c(Br)ccc(NC(=O)c2cc([O-])cc(C#N)c2)c1F ZINC000619140201 1125290489 /nfs/dbraw/zinc/29/04/89/1125290489.db2.gz DLNDVZZAILKJEC-UHFFFAOYSA-N -1 1 349.159 3.726 20 30 EHEDMM CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619581390 1125367938 /nfs/dbraw/zinc/36/79/38/1125367938.db2.gz QYXAOHAFEGEAQS-UHFFFAOYSA-N -1 1 334.297 3.555 20 30 EHEDMM [O-]c1ccc(C=NNc2ccc(Br)nc2)cc1Cl ZINC000732712564 1130948306 /nfs/dbraw/zinc/94/83/06/1130948306.db2.gz BDSMJBVXLBZXNS-UHFFFAOYSA-N -1 1 326.581 3.649 20 30 EHEDMM O=C(/C=C\c1ccc(Br)cc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000767716038 1133042536 /nfs/dbraw/zinc/04/25/36/1133042536.db2.gz HTSCUVSZKABEIU-YWEYNIOJSA-N -1 1 348.152 3.959 20 30 EHEDMM COc1cc(/C=C2\CCc3cc([O-])ccc3C2=O)ccc1[N+](=O)[O-] ZINC000770573587 1133446584 /nfs/dbraw/zinc/44/65/84/1133446584.db2.gz QUBOTJKQJZUATH-MDWZMJQESA-N -1 1 325.320 3.522 20 30 EHEDMM C[C@H](Oc1cccc(C=NN=c2[nH]c3ccccc3s2)c1)C(=O)[O-] ZINC000746676344 1133993191 /nfs/dbraw/zinc/99/31/91/1133993191.db2.gz CBESZNAPHFFLLW-NSHDSACASA-N -1 1 341.392 3.594 20 30 EHEDMM C[C@H](Oc1cccc(C=[NH+][N-]c2nc3ccccc3s2)c1)C(=O)[O-] ZINC000746676344 1133993196 /nfs/dbraw/zinc/99/31/96/1133993196.db2.gz CBESZNAPHFFLLW-NSHDSACASA-N -1 1 341.392 3.594 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C\c2ncc(C(F)(F)F)s2)c1 ZINC000788356949 1134115584 /nfs/dbraw/zinc/11/55/84/1134115584.db2.gz WURRYQMEKLGMLB-PLNGDYQASA-N -1 1 329.299 3.772 20 30 EHEDMM N#Cc1cccc([N-]S(=O)(=O)c2csc3ccccc32)c1F ZINC001186493751 1134221587 /nfs/dbraw/zinc/22/15/87/1134221587.db2.gz MHKYRAACPQVOAZ-UHFFFAOYSA-N -1 1 332.381 3.713 20 30 EHEDMM COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001188146084 1134433993 /nfs/dbraw/zinc/43/39/93/1134433993.db2.gz JFZXDENKVYUMHZ-UHFFFAOYSA-N -1 1 337.162 3.832 20 30 EHEDMM N#Cc1ccc(NC(=O)c2ccc(Oc3cccnc3)cc2)c([O-])c1 ZINC001188620027 1134489020 /nfs/dbraw/zinc/48/90/20/1134489020.db2.gz PWQDRVIZGKKFLW-UHFFFAOYSA-N -1 1 331.331 3.703 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1 ZINC001189346951 1134567283 /nfs/dbraw/zinc/56/72/83/1134567283.db2.gz BYPLMRPPJXUEAX-UHFFFAOYSA-N -1 1 326.352 3.651 20 30 EHEDMM COc1ccc(-c2noc(C)c2C(=O)[N-]c2occ(C)c2C#N)cc1 ZINC001189776095 1134626240 /nfs/dbraw/zinc/62/62/40/1134626240.db2.gz RSZFEOBTZWODQV-UHFFFAOYSA-N -1 1 337.335 3.684 20 30 EHEDMM Cc1coc(NC(=O)c2ccccc2C(=O)c2ccc([O-])cc2)c1C#N ZINC001191496744 1134874128 /nfs/dbraw/zinc/87/41/28/1134874128.db2.gz FNSTXOJYTDUVSE-UHFFFAOYSA-N -1 1 346.342 3.649 20 30 EHEDMM Cc1cc(O)cc([O-])c1C(=O)Nc1ccccc1-c1ccc(C#N)cn1 ZINC001193937370 1135201182 /nfs/dbraw/zinc/20/11/82/1135201182.db2.gz FZRFMDXOQRMZLJ-UHFFFAOYSA-N -1 1 345.358 3.592 20 30 EHEDMM Cc1sc(Br)cc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001195962295 1135493950 /nfs/dbraw/zinc/49/39/50/1135493950.db2.gz QFTVTZVRZJYPNF-UHFFFAOYSA-N -1 1 337.198 3.649 20 30 EHEDMM CN(CC(F)(F)F)C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196297897 1135544357 /nfs/dbraw/zinc/54/43/57/1135544357.db2.gz PEHXIQAVLUYCJZ-UHFFFAOYSA-N -1 1 334.297 3.565 20 30 EHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NC3(CC4CC4)CC3)c2)c1 ZINC001196330102 1135546800 /nfs/dbraw/zinc/54/68/00/1135546800.db2.gz LSGOCPHYBWQMRV-UHFFFAOYSA-N -1 1 332.403 3.993 20 30 EHEDMM Cc1nc(NC(=O)c2cc([O-])cc(C#N)c2)sc1-c1ccccc1 ZINC000809601718 1135861218 /nfs/dbraw/zinc/86/12/18/1135861218.db2.gz JDXPOQDMPYJIDS-UHFFFAOYSA-N -1 1 335.388 3.948 20 30 EHEDMM COc1cc(C(=O)/C=C\c2ccc([O-])c(Br)c2)ccc1O ZINC000207010789 1135962905 /nfs/dbraw/zinc/96/29/05/1135962905.db2.gz ORIJMVHIYSYJFR-DJWKRKHSSA-N -1 1 349.180 3.765 20 30 EHEDMM C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1ccccc1C(=O)[O-] ZINC000776186333 1136022156 /nfs/dbraw/zinc/02/21/56/1136022156.db2.gz XCUGHNKCFNWPAS-HNNXBMFYSA-N -1 1 337.423 3.695 20 30 EHEDMM COC(=O)c1ccc([O-])cc1Nc1ccc(C(F)(F)F)cc1C#N ZINC001201699707 1136054407 /nfs/dbraw/zinc/05/44/07/1136054407.db2.gz WLNUJBBANKKMLK-UHFFFAOYSA-N -1 1 336.269 3.813 20 30 EHEDMM N#Cc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])c(C(F)(F)F)c1 ZINC000811692321 1136125363 /nfs/dbraw/zinc/12/53/63/1136125363.db2.gz DPDNIHVMKXNDMJ-HYXAFXHYSA-N -1 1 333.265 3.884 20 30 EHEDMM FC(F)(F)c1csc(=NNC2=C[C@@H](C(F)(F)F)OCC2)[n-]1 ZINC000814868212 1136517663 /nfs/dbraw/zinc/51/76/63/1136517663.db2.gz XADLXUHZTNJABP-ZETCQYMHSA-N -1 1 333.257 3.671 20 30 EHEDMM CC(=NNc1cc(C)ccc1F)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814872051 1136518801 /nfs/dbraw/zinc/51/88/01/1136518801.db2.gz CHXBRALKSXXZPU-CYBMUJFWSA-N -1 1 330.359 3.822 20 30 EHEDMM C[C@H](C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)CC(F)(F)F ZINC000823588564 1137105217 /nfs/dbraw/zinc/10/52/17/1137105217.db2.gz YDUWOQQMKUNNQJ-ZETCQYMHSA-N -1 1 331.231 3.761 20 30 EHEDMM N#C[C@H](NC(=O)c1cccc([O-])c1F)c1c(Cl)cccc1Cl ZINC001144002535 1137224472 /nfs/dbraw/zinc/22/44/72/1137224472.db2.gz BQXWNPZJVCQVQF-NSHDSACASA-N -1 1 339.153 3.833 20 30 EHEDMM CSc1cc2c(cc1N[C@H](C)c1cccc(C#N)c1[O-])OCCO2 ZINC000866328448 1137345960 /nfs/dbraw/zinc/34/59/60/1137345960.db2.gz MPVWPBAEHINSJN-LLVKDONJSA-N -1 1 342.420 3.930 20 30 EHEDMM COc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])c(C)cc2C)c(O)c1 ZINC000794941015 1137373704 /nfs/dbraw/zinc/37/37/04/1137373704.db2.gz IJWWFOZLXOEQJC-DAXSKMNVSA-N -1 1 326.348 3.612 20 30 EHEDMM CC(N=Nc1ncccc1F)c1cc(Br)cc(F)c1[O-] ZINC000794991006 1137398916 /nfs/dbraw/zinc/39/89/16/1137398916.db2.gz UZNPMGIQQLWIPV-UHFFFAOYSA-N -1 1 342.143 3.664 20 30 EHEDMM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(OC(C)C)c(C#N)c1 ZINC001148774417 1137434663 /nfs/dbraw/zinc/43/46/63/1137434663.db2.gz CWINKAJCSKZUCY-UHFFFAOYSA-N -1 1 338.363 3.506 20 30 EHEDMM CCOc1nc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)co1 ZINC001274492422 1141140283 /nfs/dbraw/zinc/14/02/83/1141140283.db2.gz NPIBBVHNHJZHAB-VHSXEESVSA-N -1 1 345.424 3.945 20 30 EHEDMM CCCC[C@@H]1CCCC1N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736441089 598437809 /nfs/dbraw/zinc/43/78/09/598437809.db2.gz NEIRXEXCQXPVEZ-LLVKDONJSA-N -1 1 331.424 3.736 20 30 EHEDMM CC(CC1CCCC1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000824394876 607782751 /nfs/dbraw/zinc/78/27/51/607782751.db2.gz ZMRCODDSHLOUMN-UHFFFAOYSA-N -1 1 331.424 3.520 20 30 EHEDMM N#CC(C(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2s1 ZINC000739075580 600056346 /nfs/dbraw/zinc/05/63/46/600056346.db2.gz TXRDVNQUGIJIPY-GFCCVEGCSA-N -1 1 337.360 3.876 20 30 EHEDMM CC(C)N(Cc1ccc(C#N)cc1)Cc1cc(C(=O)[O-])ccc1F ZINC000833496694 605831819 /nfs/dbraw/zinc/83/18/19/605831819.db2.gz QIZNDQSZFAEMDK-UHFFFAOYSA-N -1 1 326.371 3.806 20 30 EHEDMM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826400557 608093747 /nfs/dbraw/zinc/09/37/47/608093747.db2.gz BFKHVSPVVLNBPA-RQOWECAXSA-N -1 1 334.763 3.617 20 30 EHEDMM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826400557 608093748 /nfs/dbraw/zinc/09/37/48/608093748.db2.gz BFKHVSPVVLNBPA-RQOWECAXSA-N -1 1 334.763 3.617 20 30 EHEDMM CC[C@H]1C[C@@H](C)CCC1N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825180851 608749979 /nfs/dbraw/zinc/74/99/79/608749979.db2.gz BBAPQMKZGFBKNB-QWRGUYRKSA-N -1 1 331.424 3.592 20 30 EHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)C2CCCCCC2)o1 ZINC000823963145 946526890 /nfs/dbraw/zinc/52/68/90/946526890.db2.gz WUSUBSDZGYBLIP-UHFFFAOYSA-N -1 1 345.451 3.811 20 30 EHEDMM CCOc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000186816304 1014498058 /nfs/dbraw/zinc/49/80/58/1014498058.db2.gz BZOCUWZXNVTLGZ-APPDUMDISA-N -1 1 336.819 3.647 20 30 EHEDMM C#CC[C@@H]1CCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000849344084 979494725 /nfs/dbraw/zinc/49/47/25/979494725.db2.gz BDFDNAOXWHGKFK-CQSZACIVSA-N -1 1 340.448 3.744 20 30 EHEDMM C#CCN(Cc1cc(C(=O)[O-])ccc1OC)[C@@H]1CCc2ccccc21 ZINC001588469981 983503806 /nfs/dbraw/zinc/50/38/06/983503806.db2.gz XLKVAISKLZOTLF-LJQANCHMSA-N -1 1 335.403 3.516 20 30 EHEDMM C#CCN(Cc1ccccc1)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001588471551 983506649 /nfs/dbraw/zinc/50/66/49/983506649.db2.gz SUJGKQOLGHQNMX-UHFFFAOYSA-N -1 1 330.387 3.568 20 30 EHEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(Cl)ccc1OC(F)F 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CC[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1ccccc1Cl ZINC000443299064 1037715062 /nfs/dbraw/zinc/71/50/62/1037715062.db2.gz IOCPSBRLRDJXQZ-AWEZNQCLSA-N -1 1 344.798 3.505 20 30 EHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000462098278 1038750286 /nfs/dbraw/zinc/75/02/86/1038750286.db2.gz BDERAXOKLRPBBV-UHFFFAOYSA-N -1 1 347.415 3.629 20 30 EHEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000416958334 1039267192 /nfs/dbraw/zinc/26/71/92/1039267192.db2.gz LORHVORCZHFQSK-LBPRGKRZSA-N -1 1 334.363 3.570 20 30 EHEDMM CC(C)(C)c1nc2cc(NC(=O)c3cc([O-])cc(C#N)c3)ccc2o1 ZINC000614294926 1040956125 /nfs/dbraw/zinc/95/61/25/1040956125.db2.gz AVDYGUPZKSAMIN-UHFFFAOYSA-N -1 1 335.363 3.955 20 30 EHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OCCC)cc2)c1 ZINC000511735154 1041492597 /nfs/dbraw/zinc/49/25/97/1041492597.db2.gz PVHMCLBXQBBEEU-UHFFFAOYSA-N -1 1 347.436 3.841 20 30 EHEDMM COC(=O)[C@H]1CC[C@H](Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)CC1 ZINC001167830974 1042985627 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C=CCCCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000771554992 1133574802 /nfs/dbraw/zinc/57/48/02/1133574802.db2.gz AXVJKSASTCTLPL-UHFFFAOYSA-N -1 1 334.416 3.825 20 30 EHEDMM N#Cc1ccc(NC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC001184749540 1133986745 /nfs/dbraw/zinc/98/67/45/1133986745.db2.gz LBHSAEKDLQLPDP-UHFFFAOYSA-N -1 1 332.157 3.670 20 30 EHEDMM N#Cc1ccc(-c2ccccc2NC(=O)c2ccc([O-])cc2F)nc1 ZINC001186337638 1134204072 /nfs/dbraw/zinc/20/40/72/1134204072.db2.gz OPYHWEMEWNXFQJ-UHFFFAOYSA-N -1 1 333.322 3.717 20 30 EHEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189347490 1134568468 /nfs/dbraw/zinc/56/84/68/1134568468.db2.gz HUZMGLKXYVIWJP-UHFFFAOYSA-N -1 1 326.352 3.651 20 30 EHEDMM C=C(C)Cc1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001190216026 1134672037 /nfs/dbraw/zinc/67/20/37/1134672037.db2.gz FCDXRLUWNPFCSU-UHFFFAOYSA-N -1 1 333.391 3.949 20 30 EHEDMM N#Cc1ccc(NC(=O)Nc2ccccc2OC(F)(F)F)c([O-])c1 ZINC001190683650 1134738880 /nfs/dbraw/zinc/73/88/80/1134738880.db2.gz KFPPVBZJTBZNSW-UHFFFAOYSA-N -1 1 337.257 3.806 20 30 EHEDMM C[Si](C)(C)C#Cc1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170315349 1134745668 /nfs/dbraw/zinc/74/56/68/1134745668.db2.gz VSSMZEMNHCFYMV-UHFFFAOYSA-N -1 1 339.467 3.622 20 30 EHEDMM N#Cc1c([O-])csc1NC(=O)Nc1ccc(OC(F)F)cc1 ZINC001192147931 1134970014 /nfs/dbraw/zinc/97/00/14/1134970014.db2.gz FPJYMHOZHDNSJT-UHFFFAOYSA-N -1 1 325.296 3.571 20 30 EHEDMM O=C([N-]c1ccnc(F)c1F)c1c(F)cc(C(F)(F)F)cc1F ZINC001131210454 1135636909 /nfs/dbraw/zinc/63/69/09/1135636909.db2.gz JZPKISRYGYSMIK-UHFFFAOYSA-N -1 1 338.182 3.909 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C#N ZINC001201287271 1136000881 /nfs/dbraw/zinc/00/08/81/1136000881.db2.gz CRVHFARLTAWDPH-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C#N ZINC001201287272 1136001088 /nfs/dbraw/zinc/00/10/88/1136001088.db2.gz CSPSKEALYWMULH-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM C=CC(C)(C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000858668606 1136985546 /nfs/dbraw/zinc/98/55/46/1136985546.db2.gz ZNCPQLGWSFCMSE-UHFFFAOYSA-N -1 1 341.249 3.556 20 30 EHEDMM CCCCCCC[C@@H](C)CNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001136343162 1136994916 /nfs/dbraw/zinc/99/49/16/1136994916.db2.gz OZWCBEKNUNAGTG-CYBMUJFWSA-N -1 1 334.489 3.744 20 30 EHEDMM C[C@@H]1CCCCCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000844581794 1137236025 /nfs/dbraw/zinc/23/60/25/1137236025.db2.gz VPEOBAQFZCJOOT-LLVKDONJSA-N -1 1 330.436 3.655 20 30 EHEDMM Cc1cn2c(/C=C\C(=O)c3ccc4nc([O-])oc4c3)c(C)nc2s1 ZINC000794713337 1137242595 /nfs/dbraw/zinc/24/25/95/1137242595.db2.gz MKFBBNMLXKPZDF-WAYWQWQTSA-N -1 1 339.376 3.756 20 30 EHEDMM O=C(CC(F)(F)C(F)(F)F)[N-]C1(C(F)(F)F)CCCCC1 ZINC000865743715 1137308088 /nfs/dbraw/zinc/30/80/88/1137308088.db2.gz GGJGSQAPDQYNDU-UHFFFAOYSA-N -1 1 327.215 3.956 20 30 EHEDMM N#Cc1ccccc1OC1CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144559916 1137309633 /nfs/dbraw/zinc/30/96/33/1137309633.db2.gz RMXWIDHSCJVZEP-UHFFFAOYSA-N -1 1 344.361 3.585 20 30 EHEDMM C#C[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccc(F)cc1 ZINC000794893505 1137325404 /nfs/dbraw/zinc/32/54/04/1137325404.db2.gz IHBGWTWBAIIPLC-CQSZACIVSA-N -1 1 337.272 3.654 20 30 EHEDMM N#CC1(c2ccccc2F)CCN(Cc2sccc2C(=O)[O-])CC1 ZINC001144685827 1137330046 /nfs/dbraw/zinc/33/00/46/1137330046.db2.gz ZNHTWCRYWWSYGX-UHFFFAOYSA-N -1 1 344.411 3.643 20 30 EHEDMM Cc1cc(N2CCOCC2)ccc1N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866314740 1137344764 /nfs/dbraw/zinc/34/47/64/1137344764.db2.gz GPXFETXMRUQCRQ-OAHLLOKOSA-N -1 1 337.423 3.582 20 30 EHEDMM N#Cc1ccc(-c2ccccc2NC(=O)c2cccc(O)c2[O-])cc1 ZINC001148218746 1137419905 /nfs/dbraw/zinc/41/99/05/1137419905.db2.gz KAIVERPAOSTGAH-UHFFFAOYSA-N -1 1 330.343 3.889 20 30 EHEDMM C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877843247 1137693015 /nfs/dbraw/zinc/69/30/15/1137693015.db2.gz KDNUAGPGHHKLIF-MRXNPFEDSA-N -1 1 332.762 3.937 20 30 EHEDMM C[C@H](CCOc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000073048741 1138110492 /nfs/dbraw/zinc/11/04/92/1138110492.db2.gz GIICVMMQABGUSE-SECBINFHSA-N -1 1 328.294 3.517 20 30 EHEDMM C[C@H](CCc1cccc(F)c1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000079720824 1138157748 /nfs/dbraw/zinc/15/77/48/1138157748.db2.gz GMKOMEOTBGSOQL-MRVPVSSYSA-N -1 1 330.285 3.820 20 30 EHEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000051266361 214086306 /nfs/dbraw/zinc/08/63/06/214086306.db2.gz FBDAXTBOWKDAPP-WDSKDSINSA-N -1 1 330.232 3.780 20 30 EHEDMM CC(C)COc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826905416 601301840 /nfs/dbraw/zinc/30/18/40/601301840.db2.gz JJHZDJFXXCLFMT-LJQANCHMSA-N -1 1 338.407 3.509 20 30 EHEDMM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826475416 609369839 /nfs/dbraw/zinc/36/98/39/609369839.db2.gz FUVONPSWUXPEOB-KTKRTIGZSA-N -1 1 347.403 3.622 20 30 EHEDMM CC[C@@H]1CCC[C@H](CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC000825193810 947113217 /nfs/dbraw/zinc/11/32/17/947113217.db2.gz NWZFKNBOUIEGKT-NEPJUHHUSA-N -1 1 331.424 3.592 20 30 EHEDMM 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1021224200 /nfs/dbraw/zinc/22/42/00/1021224200.db2.gz LEKZTLBNEYZEMY-GFCCVEGCSA-N -1 1 348.399 3.675 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1OC(C)C ZINC000427249769 1021256878 /nfs/dbraw/zinc/25/68/78/1021256878.db2.gz LQFUWBGIZBHCLD-UHFFFAOYSA-N -1 1 348.399 3.594 20 30 EHEDMM N#C[C@]1(NC(=O)c2cc3ccccc3cc2[O-])CCc2ccccc2C1 ZINC000436877414 1021329290 /nfs/dbraw/zinc/32/92/90/1021329290.db2.gz GFJIDYYMWPVYIF-QFIPXVFZSA-N -1 1 342.398 3.726 20 30 EHEDMM COc1cc(C(=O)NCC2(OC)CCC(C)CC2)cc(Cl)c1[O-] ZINC000331047558 1022732968 /nfs/dbraw/zinc/73/29/68/1022732968.db2.gz JAUXAEJWOWAZSA-UHFFFAOYSA-N -1 1 341.835 3.954 20 30 EHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000438757715 1022972502 /nfs/dbraw/zinc/97/25/02/1022972502.db2.gz SSORZCDIFWOKAJ-UHFFFAOYSA-N -1 1 347.415 3.629 20 30 EHEDMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)c1 ZINC000170975735 1024066315 /nfs/dbraw/zinc/06/63/15/1024066315.db2.gz JBHANSLONLQHSH-UHFFFAOYSA-N -1 1 332.450 3.802 20 30 EHEDMM N#Cc1ccc(F)c(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000126996910 1024750015 /nfs/dbraw/zinc/75/00/15/1024750015.db2.gz HOBYBTMXEUMTHY-UHFFFAOYSA-N -1 1 329.278 3.504 20 30 EHEDMM C=CCn1c(C)cc(C(=O)CSc2nc(CC)c(C)c(=O)[n-]2)c1C ZINC000514873785 1024832615 /nfs/dbraw/zinc/83/26/15/1024832615.db2.gz SPWLRKCKLONSDQ-UHFFFAOYSA-N -1 1 345.468 3.632 20 30 EHEDMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435721699 1025105335 /nfs/dbraw/zinc/10/53/35/1025105335.db2.gz JLMZYLOWAJEZKB-UHFFFAOYSA-N -1 1 346.477 3.573 20 30 EHEDMM N#Cc1ccc(C(=O)NC2c3ccccc3Oc3ccccc32)cc1[O-] ZINC000442960227 1025621113 /nfs/dbraw/zinc/62/11/13/1025621113.db2.gz GZSBAZXQGBHDDH-UHFFFAOYSA-N -1 1 342.354 3.889 20 30 EHEDMM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCCc2cccnc21 ZINC000443123322 1025737507 /nfs/dbraw/zinc/73/75/07/1025737507.db2.gz KDSREGXVFWEFJZ-KRWDZBQOSA-N -1 1 335.407 3.589 20 30 EHEDMM N#Cc1ccc(C(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)cc1[O-] ZINC000338294471 1026009283 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N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1Cl ZINC000603778972 1033919045 /nfs/dbraw/zinc/91/90/45/1033919045.db2.gz FZLZEPGVJXKXQU-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601643722 1034646370 /nfs/dbraw/zinc/64/63/70/1034646370.db2.gz GNEJOYORPRPIBQ-QGZVFWFLSA-N -1 1 340.810 3.654 20 30 EHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 ZINC000443403073 1035636500 /nfs/dbraw/zinc/63/65/00/1035636500.db2.gz MMNNQRUSPACJKP-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM CC[C@H](C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc2ccccc2[nH]1 ZINC000442723675 1036209860 /nfs/dbraw/zinc/20/98/60/1036209860.db2.gz SVMNRWUBAKCULN-KPZWWZAWSA-N -1 1 348.406 3.657 20 30 EHEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc(Cl)nc2Cl)c1 ZINC000761481321 1036264704 /nfs/dbraw/zinc/26/47/04/1036264704.db2.gz WXXVLJRPZILAKV-RJRFIUFISA-N -1 1 338.146 3.688 20 30 EHEDMM Cc1ccc2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)ccc2n1 ZINC000190914973 1036303774 /nfs/dbraw/zinc/30/37/74/1036303774.db2.gz RIQGBXZATHSJHD-INIZCTEOSA-N -1 1 338.370 3.977 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1[O-] ZINC000442949124 1036763769 /nfs/dbraw/zinc/76/37/69/1036763769.db2.gz ZAOOTIIDNKEFFO-HIFRSBDPSA-N -1 1 346.308 3.569 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NC2(Cc3ccc(Cl)cc3)CCC2)c1 ZINC000590410464 1036865620 /nfs/dbraw/zinc/86/56/20/1036865620.db2.gz QAMLDBDEYOMJCM-UHFFFAOYSA-N -1 1 340.810 3.812 20 30 EHEDMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@@H](C)c3cccc(C#N)c3)[nH][n-]2)c1 ZINC000462543105 1037097108 /nfs/dbraw/zinc/09/71/08/1037097108.db2.gz IKJPPJBJHJTCAK-ZDUSSCGKSA-N -1 1 348.381 3.560 20 30 EHEDMM N#CC1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCCCC1 ZINC000040215487 1037638761 /nfs/dbraw/zinc/63/87/61/1037638761.db2.gz CWZHVKSPFTXPFR-UHFFFAOYSA-N -1 1 339.269 3.560 20 30 EHEDMM CC(C)(C)c1cc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)no1 ZINC000764307219 1127476646 /nfs/dbraw/zinc/47/66/46/1127476646.db2.gz OYUNVLMOQKKAQR-UHFFFAOYSA-N -1 1 348.746 3.658 20 30 EHEDMM N#Cc1nc(NCc2cccc(Br)c2[O-])ccc1Cl ZINC000764935413 1127555830 /nfs/dbraw/zinc/55/58/30/1127555830.db2.gz TUBOACJOOLEBSX-UHFFFAOYSA-N -1 1 338.592 3.687 20 30 EHEDMM C#CC[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccccc1 ZINC000765234696 1127586303 /nfs/dbraw/zinc/58/63/03/1127586303.db2.gz WSMHFIBBVTWIDK-HNNXBMFYSA-N -1 1 344.208 3.649 20 30 EHEDMM Fc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cc1 ZINC000916368409 1122137386 /nfs/dbraw/zinc/13/73/86/1122137386.db2.gz DRTOXBWDIVISCO-UHFFFAOYSA-N -1 1 344.440 3.880 20 30 EHEDMM COc1ccc(-c2n[nH]cc2C=C2Oc3cc([O-])cc(C)c3C2=O)cc1 ZINC000920069322 1123282656 /nfs/dbraw/zinc/28/26/56/1123282656.db2.gz YCDZUBJKBGWPRX-IUXPMGMMSA-N -1 1 348.358 3.716 20 30 EHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(SC)c2)c1 ZINC000509074968 1129719946 /nfs/dbraw/zinc/71/99/46/1129719946.db2.gz NDZCKUJFPGOVRX-UHFFFAOYSA-N -1 1 335.450 3.774 20 30 EHEDMM COc1cc(C#N)ccc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000766063708 1130166647 /nfs/dbraw/zinc/16/66/47/1130166647.db2.gz ZXRKZHIEISVIBW-CMDGGOBGSA-N -1 1 348.811 3.633 20 30 EHEDMM COc1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)cc1OCCCC#N ZINC000187230566 1132459310 /nfs/dbraw/zinc/45/93/10/1132459310.db2.gz JLASLYHGTBQGAB-MHWRWJLKSA-N -1 1 349.386 3.906 20 30 EHEDMM O=C1c2ccc([O-])cc2OC1=Cc1c[nH]nc1-c1c(F)cccc1F ZINC000768493022 1133148485 /nfs/dbraw/zinc/14/84/85/1133148485.db2.gz KFGBXFUEBFJFPA-GIDUJCDVSA-N -1 1 340.285 3.677 20 30 EHEDMM CC(C)c1ccc(C(=O)Nc2ccc(F)cc2OCC#N)c([O-])c1 ZINC000769993918 1133374508 /nfs/dbraw/zinc/37/45/08/1133374508.db2.gz NSTLEAGUAZEQCG-UHFFFAOYSA-N -1 1 328.343 3.809 20 30 EHEDMM N#CCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1F ZINC001186327589 1134195622 /nfs/dbraw/zinc/19/56/22/1134195622.db2.gz RBEGEDIZJGHEKA-UHFFFAOYSA-N -1 1 332.762 3.741 20 30 EHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)c1 ZINC001188588070 1134485839 /nfs/dbraw/zinc/48/58/39/1134485839.db2.gz ZHCXJSAOLYYKHX-UHFFFAOYSA-N -1 1 341.791 3.845 20 30 EHEDMM N#Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC001189948405 1134641047 /nfs/dbraw/zinc/64/10/47/1134641047.db2.gz AIKQJJFQGWNSCM-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM COc1cc(C(=O)NC(C)(C)c2ccc(C#N)cc2)cc(Cl)c1[O-] ZINC001191156137 1134804253 /nfs/dbraw/zinc/80/42/53/1134804253.db2.gz RBKKCXADTWXODD-UHFFFAOYSA-N -1 1 344.798 3.591 20 30 EHEDMM N#Cc1ccc(NC(=O)c2cccc(Oc3ccccc3)n2)c([O-])c1 ZINC001191143078 1134810193 /nfs/dbraw/zinc/81/01/93/1134810193.db2.gz WICPACLJJHXUPW-UHFFFAOYSA-N -1 1 331.331 3.703 20 30 EHEDMM Cc1cc(C)c(C(=O)/C=C/c2cnnn2Cc2ccccc2)c([O-])c1 ZINC000792907465 1134818966 /nfs/dbraw/zinc/81/89/66/1134818966.db2.gz VKMPMRCOPRUIFI-CMDGGOBGSA-N -1 1 333.391 3.545 20 30 EHEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 ZINC001191969179 1134952828 /nfs/dbraw/zinc/95/28/28/1134952828.db2.gz KAAILUZRPBNSAX-UHFFFAOYSA-N -1 1 337.400 3.631 20 30 EHEDMM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(C#N)cc1C(F)(F)F ZINC001192099507 1134970679 /nfs/dbraw/zinc/97/06/79/1134970679.db2.gz XIPWLBYVPPHWHF-UHFFFAOYSA-N -1 1 348.280 3.738 20 30 EHEDMM CSc1nc(Cl)c(C(=O)[N-]c2ccsc2C#N)c(Cl)n1 ZINC001192617778 1135040588 /nfs/dbraw/zinc/04/05/88/1135040588.db2.gz BHEHWPGLOUODMT-UHFFFAOYSA-N -1 1 345.236 3.691 20 30 EHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3ccccc3O)c2)c1 ZINC001196317995 1135545241 /nfs/dbraw/zinc/54/52/41/1135545241.db2.gz AGPSOFGTAVOAES-UHFFFAOYSA-N -1 1 330.343 3.889 20 30 EHEDMM CC(C)C[C@@](C)(C#N)NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196329266 1135546254 /nfs/dbraw/zinc/54/62/54/1135546254.db2.gz UGDMNKOEBJAXIL-NRFANRHFSA-N -1 1 347.418 3.989 20 30 EHEDMM CSc1nc(Cl)c(/C=N/[O-])c(N[C@H]2CCCC(F)(F)C2)n1 ZINC001158333234 1135697357 /nfs/dbraw/zinc/69/73/57/1135697357.db2.gz RLRKVSSMRIZKPX-OCWHJVETSA-N -1 1 336.795 3.650 20 30 EHEDMM CCC(=NNc1ccccc1C(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000812442120 1136208677 /nfs/dbraw/zinc/20/86/77/1136208677.db2.gz QGXVJDYHTYUVFZ-UHFFFAOYSA-N -1 1 328.368 3.628 20 30 EHEDMM C#C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(F)cc1 ZINC000812793945 1136251414 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EHEDMM CCc1nocc1C([O-])=C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000860473311 1137061986 /nfs/dbraw/zinc/06/19/86/1137061986.db2.gz WHIKMTFQOVUFFY-SWLSCSKDSA-N -1 1 339.395 3.712 20 30 EHEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NC[C@H]2CC23CC3)cc1 ZINC000863088275 1137169731 /nfs/dbraw/zinc/16/97/31/1137169731.db2.gz CNDMYFVZTXAPIW-CQSZACIVSA-N -1 1 341.436 3.685 20 30 EHEDMM C=CCC(C)(C)C(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001144072733 1137234957 /nfs/dbraw/zinc/23/49/57/1137234957.db2.gz FNDQINORDSKSEE-UHFFFAOYSA-N -1 1 328.206 3.704 20 30 EHEDMM COc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])c(Br)c1 ZINC000794699339 1137236677 /nfs/dbraw/zinc/23/66/77/1137236677.db2.gz FBFORXBBMLVTSS-ZZXKWVIFSA-N -1 1 349.180 3.765 20 30 EHEDMM CC(C)[C@@H](Cc1ccccc1)NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844591294 1137238077 /nfs/dbraw/zinc/23/80/77/1137238077.db2.gz FYPRXAYLKQPDCP-HXUWFJFHSA-N -1 1 348.450 3.556 20 30 EHEDMM N#Cc1ccc(O[C@@H]2CCCN(Cc3cc(F)c([O-])cc3F)C2)cc1 ZINC001144663268 1137325060 /nfs/dbraw/zinc/32/50/60/1137325060.db2.gz BDXFFOZWAJRNPX-MRXNPFEDSA-N -1 1 344.361 3.585 20 30 EHEDMM COCCOc1ccc(N[C@H](C)c2cccc(C#N)c2[O-])cc1F ZINC000866316613 1137345354 /nfs/dbraw/zinc/34/53/54/1137345354.db2.gz RQJDKARUUQTDPZ-GFCCVEGCSA-N -1 1 330.359 3.601 20 30 EHEDMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc([C@H](C)C#N)cc3)cc2)[n-]1 ZINC001148337946 1137422659 /nfs/dbraw/zinc/42/26/59/1137422659.db2.gz RAJRKPNKJKXWDN-CYBMUJFWSA-N -1 1 346.390 3.679 20 30 EHEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000186437142 1140202609 /nfs/dbraw/zinc/20/26/09/1140202609.db2.gz GDKYELMLTNZMTB-MRVPVSSYSA-N -1 1 341.647 3.617 20 30 EHEDMM CC[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CC[C@@H]1c1ccccc1 ZINC000188606061 523254061 /nfs/dbraw/zinc/25/40/61/523254061.db2.gz MYZMLNGJXKHKSC-KXBFYZLASA-N -1 1 334.419 3.920 20 30 EHEDMM CC(C)CC[C@H]1CCCC1N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000735796871 598437710 /nfs/dbraw/zinc/43/77/10/598437710.db2.gz JDYCEOPLGDXEIK-GFCCVEGCSA-N -1 1 345.451 3.982 20 30 EHEDMM CC(C)Oc1ccccc1[C@H](C)N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827063233 601296756 /nfs/dbraw/zinc/29/67/56/601296756.db2.gz XZYZYPWYZYHRTG-LIRRHRJNSA-N -1 1 338.407 3.822 20 30 EHEDMM CCc1nc(C)c(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)s1 ZINC000756906202 604630368 /nfs/dbraw/zinc/63/03/68/604630368.db2.gz UKDKTMDQNHISRI-UHFFFAOYSA-N -1 1 333.413 3.557 20 30 EHEDMM CC(=NNc1ccccc1C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000812445999 605098841 /nfs/dbraw/zinc/09/88/41/605098841.db2.gz JFDJPVNRHUVTLN-UHFFFAOYSA-N -1 1 344.321 3.966 20 30 EHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)[C@@H](C)c2ccccc2)o1 ZINC000819782880 606033707 /nfs/dbraw/zinc/03/37/07/606033707.db2.gz QUXFOPGTADROLX-LLVKDONJSA-N -1 1 339.403 3.570 20 30 EHEDMM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000824142507 608091698 /nfs/dbraw/zinc/09/16/98/608091698.db2.gz VSBSPUPWNUVACU-PLNGDYQASA-N -1 1 345.453 3.578 20 30 EHEDMM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000824142507 608091699 /nfs/dbraw/zinc/09/16/99/608091699.db2.gz VSBSPUPWNUVACU-PLNGDYQASA-N -1 1 345.453 3.578 20 30 EHEDMM O=C(C=Cc1cc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400212 608093815 /nfs/dbraw/zinc/09/38/15/608093815.db2.gz SHNJMHYMFPVXFL-DAFODLJHSA-N -1 1 334.763 3.617 20 30 EHEDMM O=C(C=Cc1cc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400212 608093816 /nfs/dbraw/zinc/09/38/16/608093816.db2.gz SHNJMHYMFPVXFL-DAFODLJHSA-N -1 1 334.763 3.617 20 30 EHEDMM O=C(C=Cc1cccc2ccccc12)c1ccc(-c2nnn[n-]2)s1 ZINC000826400681 608093934 /nfs/dbraw/zinc/09/39/34/608093934.db2.gz FBGAHFLYDLOAKA-HJWRWDBZSA-N -1 1 332.388 3.978 20 30 EHEDMM O=C(C=Cc1cccc2ccccc12)c1ccc(-c2nn[n-]n2)s1 ZINC000826400681 608093935 /nfs/dbraw/zinc/09/39/35/608093935.db2.gz FBGAHFLYDLOAKA-HJWRWDBZSA-N -1 1 332.388 3.978 20 30 EHEDMM CC1=CCC[C@@H](C)[C@H]1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000824851532 608289299 /nfs/dbraw/zinc/28/92/99/608289299.db2.gz AAFCGMSVVAKAIA-NEPJUHHUSA-N -1 1 343.435 3.542 20 30 EHEDMM CC(C)C[C@@H](C)CC(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000824390479 609516369 /nfs/dbraw/zinc/51/63/69/609516369.db2.gz AKVWBWJVWMTNFN-LLVKDONJSA-N -1 1 333.440 3.838 20 30 EHEDMM Cc1cc(-n2c(C)cc(C=NNc3ccccc3C(=O)[O-])c2C)no1 ZINC000812445752 978869938 /nfs/dbraw/zinc/86/99/38/978869938.db2.gz YRMUYCSTYIQMTI-UHFFFAOYSA-N -1 1 338.367 3.535 20 30 EHEDMM C=C(C)CN(C)Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000902489788 980908102 /nfs/dbraw/zinc/90/81/02/980908102.db2.gz OZAPJMPSZCODIH-UHFFFAOYSA-N -1 1 325.408 3.972 20 30 EHEDMM C[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1cccc(C#N)c1 ZINC000610366759 1018532753 /nfs/dbraw/zinc/53/27/53/1018532753.db2.gz VJZOVXPSYBQSCR-SNVBAGLBSA-N -1 1 345.196 3.517 20 30 EHEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(OC2CCCC2)cc1 ZINC000047436863 1018971644 /nfs/dbraw/zinc/97/16/44/1018971644.db2.gz MWUPQCRMZQWQFD-UHFFFAOYSA-N -1 1 340.305 3.781 20 30 EHEDMM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182875539 1019765308 /nfs/dbraw/zinc/76/53/08/1019765308.db2.gz QXCSICLIHQQVKS-UHFFFAOYSA-N -1 1 330.771 3.713 20 30 EHEDMM CC(=Cc1ccc(SC(F)F)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000588611136 1032966953 /nfs/dbraw/zinc/96/69/53/1032966953.db2.gz OJFRNHVSEBYTJA-VQHVLOKHSA-N -1 1 333.363 3.825 20 30 EHEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000437279879 1021706513 /nfs/dbraw/zinc/70/65/13/1021706513.db2.gz YQZLDHRQJYLSIQ-SWLSCSKDSA-N -1 1 347.201 3.857 20 30 EHEDMM CC(C)(C#N)c1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000593948776 1033124029 /nfs/dbraw/zinc/12/40/29/1033124029.db2.gz PQYAFCRGNRHSJI-KRWDZBQOSA-N -1 1 344.361 3.681 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(OCC(F)(F)F)c2)n1 ZINC000431270526 1024343893 /nfs/dbraw/zinc/34/38/93/1024343893.db2.gz RLRNFBMESOLKEY-GFCCVEGCSA-N -1 1 340.326 3.883 20 30 EHEDMM N#CCn1c(C(=O)Nc2ccc([O-])c(Cl)c2)cc2ccccc21 ZINC000611566268 1024661734 /nfs/dbraw/zinc/66/17/34/1024661734.db2.gz GCZROULNBSWNSV-UHFFFAOYSA-N -1 1 325.755 3.776 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)ccc1C#N ZINC000435719976 1025103933 /nfs/dbraw/zinc/10/39/33/1025103933.db2.gz SLPRZZKFRCFNQG-UHFFFAOYSA-N -1 1 344.436 3.593 20 30 EHEDMM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000176696123 1026729716 /nfs/dbraw/zinc/72/97/16/1026729716.db2.gz OBJCHHOOQBXJBI-MDZDMXLPSA-N -1 1 346.383 3.509 20 30 EHEDMM COc1cccc(/C=C2/Cc3cc([O-])ccc3C2=O)c1OC(F)F ZINC000588535293 1026787940 /nfs/dbraw/zinc/78/79/40/1026787940.db2.gz ZVWQOEKJCWUZTL-GHXNOFRVSA-N -1 1 332.302 3.825 20 30 EHEDMM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000272351974 1029429195 /nfs/dbraw/zinc/42/91/95/1029429195.db2.gz DENWQORFMQAUPI-LLVKDONJSA-N -1 1 341.285 3.662 20 30 EHEDMM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)o1 ZINC000075536142 1030441542 /nfs/dbraw/zinc/44/15/42/1030441542.db2.gz OPNMAJNVODNWMO-IONNQARKSA-N -1 1 328.294 3.761 20 30 EHEDMM O=C(c1c(F)ccc([O-])c1F)N(O)Cc1cccc2ccccc21 ZINC000904152757 1031797704 /nfs/dbraw/zinc/79/77/04/1031797704.db2.gz UIEZIXUWYFQFRY-UHFFFAOYSA-N -1 1 329.302 3.855 20 30 EHEDMM CCCc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)s1 ZINC000173968844 1033636707 /nfs/dbraw/zinc/63/67/07/1033636707.db2.gz VKMDYMUSIIPZQO-AWEZNQCLSA-N -1 1 341.436 3.619 20 30 EHEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3[O-])cn2)c1 ZINC000603621703 1033810612 /nfs/dbraw/zinc/81/06/12/1033810612.db2.gz UZLCYSGJJKRBHC-UHFFFAOYSA-N -1 1 331.331 3.703 20 30 EHEDMM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188455826 1034479089 /nfs/dbraw/zinc/47/90/89/1034479089.db2.gz GXSWUALLUGKNIC-GFCCVEGCSA-N -1 1 328.799 3.620 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000589170626 1036269017 /nfs/dbraw/zinc/26/90/17/1036269017.db2.gz UFTUKNNYDYTBOT-UHFFFAOYSA-N -1 1 336.366 3.723 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(COCc3ccco3)c2)c1 ZINC000589170517 1036269217 /nfs/dbraw/zinc/26/92/17/1036269217.db2.gz OPFKKNPZBWWRQV-UHFFFAOYSA-N -1 1 348.358 3.826 20 30 EHEDMM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000589171833 1036272230 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EHEDMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000108250866 1038529589 /nfs/dbraw/zinc/52/95/89/1038529589.db2.gz MVSXSMNOBSCLHK-UHFFFAOYSA-N -1 1 332.450 3.802 20 30 EHEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)c1ccccc1n2CC ZINC000462083722 1038741004 /nfs/dbraw/zinc/74/10/04/1038741004.db2.gz LXSKPWYCBGGCMQ-AWEZNQCLSA-N -1 1 341.436 3.858 20 30 EHEDMM N#CC1(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCC1 ZINC000416673038 1038889493 /nfs/dbraw/zinc/88/94/93/1038889493.db2.gz SUDJYHYAACKFEF-UHFFFAOYSA-N -1 1 340.857 3.527 20 30 EHEDMM N#C[C@]1(C(=O)Nc2cccc([O-])c2Br)CC2CCC1CC2 ZINC000908718462 1040588507 /nfs/dbraw/zinc/58/85/07/1040588507.db2.gz YPLSIDNKEIXZFQ-CLIRUNRCSA-N -1 1 349.228 3.813 20 30 EHEDMM N#C[C@@]1(C(=O)Nc2cccc([O-])c2Br)CC2CCC1CC2 ZINC000908718463 1040589195 /nfs/dbraw/zinc/58/91/95/1040589195.db2.gz YPLSIDNKEIXZFQ-PRDDCLIZSA-N -1 1 349.228 3.813 20 30 EHEDMM CCOc1nc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)co1 ZINC000613945281 1043028040 /nfs/dbraw/zinc/02/80/40/1043028040.db2.gz RIFOAFZWFCNWBB-NSHDSACASA-N -1 1 331.397 3.720 20 30 EHEDMM CC(N=Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C(=O)[O-])c1 ZINC000764690933 1127522286 /nfs/dbraw/zinc/52/22/86/1127522286.db2.gz VSSGXENKBCKUOB-UHFFFAOYSA-N -1 1 333.731 3.783 20 30 EHEDMM CC(=O)c1ccc(C#N)cc1NCc1cccc(Br)c1[O-] ZINC000764934822 1127555783 /nfs/dbraw/zinc/55/57/83/1127555783.db2.gz NBVRKRUATDIMIR-UHFFFAOYSA-N -1 1 345.196 3.841 20 30 EHEDMM C=CCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000338677600 1128493140 /nfs/dbraw/zinc/49/31/40/1128493140.db2.gz NPGHSVUVHYPVJU-UHFFFAOYSA-N -1 1 348.399 3.531 20 30 EHEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c2ccccc12 ZINC000055558128 1128523031 /nfs/dbraw/zinc/52/30/31/1128523031.db2.gz QULVVEWWJHZLGU-UHFFFAOYSA-N -1 1 338.388 3.521 20 30 EHEDMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1CC ZINC000193355395 1120772163 /nfs/dbraw/zinc/77/21/63/1120772163.db2.gz BEQOUMVOMPBZRI-UHFFFAOYSA-N -1 1 328.437 3.678 20 30 EHEDMM COc1cc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cc(Cl)c1OC ZINC000915988694 1122012630 /nfs/dbraw/zinc/01/26/30/1122012630.db2.gz BQSWGWZFFMYXIC-NSIKDUERSA-N -1 1 346.766 3.987 20 30 EHEDMM COc1cc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)ccc1OC(F)F ZINC000915988933 1122013748 /nfs/dbraw/zinc/01/37/48/1122013748.db2.gz OIXOPDCIVZVNDA-VIZOYTHASA-N -1 1 348.301 3.927 20 30 EHEDMM [O-]c1ccc(C=NNc2ccc(F)cc2F)cc1Br ZINC000916250917 1122110875 /nfs/dbraw/zinc/11/08/75/1122110875.db2.gz RAIYBOYGYSXVKW-UHFFFAOYSA-N -1 1 327.128 3.879 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cn3cc(Cl)ccc3n1)O2 ZINC000920754376 1123420385 /nfs/dbraw/zinc/42/03/85/1123420385.db2.gz DUCWHQJACOOFPX-LHHJGKSTSA-N -1 1 326.739 3.618 20 30 EHEDMM O=C([O-])c1ccccc1N=NCc1ccc(OCC(F)(F)F)cc1 ZINC000921256054 1123495117 /nfs/dbraw/zinc/49/51/17/1123495117.db2.gz KIPPOVNMXQVADC-UHFFFAOYSA-N -1 1 338.285 3.772 20 30 EHEDMM CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000064374072 1123586084 /nfs/dbraw/zinc/58/60/84/1123586084.db2.gz KXHDEVDLRZWBBY-UHFFFAOYSA-N -1 1 344.436 3.784 20 30 EHEDMM CCCC=CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000735203903 1131316734 /nfs/dbraw/zinc/31/67/34/1131316734.db2.gz MAQYWTQKLKWQHN-GXWOQWCDSA-N -1 1 341.436 3.808 20 30 EHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC000619620948 1125374635 /nfs/dbraw/zinc/37/46/35/1125374635.db2.gz IZPAVHJPYCHPMX-UHFFFAOYSA-N -1 1 330.384 3.570 20 30 EHEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccccc1F ZINC000154288737 1129546823 /nfs/dbraw/zinc/54/68/23/1129546823.db2.gz SJINJHCNCQQZBV-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM N#Cc1cnn(-c2cccc(Cl)c2)c1Nc1cccc([O-])c1F ZINC001212547232 1130350438 /nfs/dbraw/zinc/35/04/38/1130350438.db2.gz JIHKLAJLEJTUDV-UHFFFAOYSA-N -1 1 328.734 3.986 20 30 EHEDMM N#CC1(c2ccc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)cc2)CC1 ZINC000347929822 1131090878 /nfs/dbraw/zinc/09/08/78/1131090878.db2.gz FWKLPUMHKQMVFZ-UHFFFAOYSA-N -1 1 344.374 3.590 20 30 EHEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1c([O-])cccc1Cl ZINC000769735677 1133340232 /nfs/dbraw/zinc/34/02/32/1133340232.db2.gz NEKXWALKIAASLM-UHFFFAOYSA-N -1 1 328.799 3.968 20 30 EHEDMM CC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C1CCCCC1 ZINC000769812717 1133350427 /nfs/dbraw/zinc/35/04/27/1133350427.db2.gz OYXCTVXUNAFUIX-UHFFFAOYSA-N -1 1 330.436 3.655 20 30 EHEDMM CC[C@@H]1CCCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1 ZINC000769813354 1133350733 /nfs/dbraw/zinc/35/07/33/1133350733.db2.gz UJOQSOFOCNZALU-LLVKDONJSA-N -1 1 330.436 3.655 20 30 EHEDMM C[C@H](Oc1cccc(CN=Nc2cccc(Cl)c2F)c1)C(=O)[O-] ZINC000746679334 1134000109 /nfs/dbraw/zinc/00/01/09/1134000109.db2.gz DDBGBAZCPUWITG-JTQLQIEISA-N -1 1 336.750 3.777 20 30 EHEDMM CC(=NNc1ccc(C(F)(F)F)cn1)c1cc(C(=O)[O-])ccc1C ZINC000788408511 1134123565 /nfs/dbraw/zinc/12/35/65/1134123565.db2.gz RCXRXDNQDAITKP-UHFFFAOYSA-N -1 1 337.301 3.943 20 30 EHEDMM COc1cc(OC)c(NC(=O)Nc2ccc(C#N)cc2[O-])cc1Cl ZINC001187406734 1134332412 /nfs/dbraw/zinc/33/24/12/1134332412.db2.gz ZUTCZMPXZIVTTI-UHFFFAOYSA-N -1 1 347.758 3.578 20 30 EHEDMM Cc1ccc(C(C)C)c([O-])c1C(=O)Nc1nc2ncccc2cc1C#N ZINC001188166962 1134435535 /nfs/dbraw/zinc/43/55/35/1134435535.db2.gz GZLBSKWNTPSTKG-UHFFFAOYSA-N -1 1 346.390 3.891 20 30 EHEDMM C=CCC1(S(=O)(=O)[N-]c2ccccc2Oc2cccnc2)CC1 ZINC001190805417 1134753421 /nfs/dbraw/zinc/75/34/21/1134753421.db2.gz KPUUJYLUHCDOFF-UHFFFAOYSA-N -1 1 330.409 3.724 20 30 EHEDMM N#CCOc1ccccc1Nc1ccc(F)c(Br)c1[O-] ZINC001212602923 1134771564 /nfs/dbraw/zinc/77/15/64/1134771564.db2.gz YXCMVVMHEYWMHM-UHFFFAOYSA-N -1 1 337.148 3.940 20 30 EHEDMM Cc1ccc2nc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[nH]c2c1 ZINC000793664945 1134978279 /nfs/dbraw/zinc/97/82/79/1134978279.db2.gz BYVOLXHKSYPOBW-UHFFFAOYSA-N -1 1 330.731 3.889 20 30 EHEDMM CCCCOC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001193672487 1135170022 /nfs/dbraw/zinc/17/00/22/1135170022.db2.gz DJHWNJRVLQXBBT-LICLKQGHSA-N -1 1 346.412 3.570 20 30 EHEDMM CCOc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)cc1F ZINC000806558790 1135459526 /nfs/dbraw/zinc/45/95/26/1135459526.db2.gz MCLVWKHKMNZNQO-XVNBXDOJSA-N -1 1 330.311 3.524 20 30 EHEDMM CC(C)C[C@](C)(C#N)NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196329267 1135546370 /nfs/dbraw/zinc/54/63/70/1135546370.db2.gz UGDMNKOEBJAXIL-OAQYLSRUSA-N -1 1 347.418 3.989 20 30 EHEDMM Cc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1F ZINC001196690418 1135602290 /nfs/dbraw/zinc/60/22/90/1135602290.db2.gz PAPJAKVMQZYKBG-UHFFFAOYSA-N -1 1 342.754 3.599 20 30 EHEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1ncc(-c2ccccc2)cn1 ZINC001197250102 1135665298 /nfs/dbraw/zinc/66/52/98/1135665298.db2.gz ICRCXJKDBZIMMS-UHFFFAOYSA-N -1 1 336.301 3.546 20 30 EHEDMM CCc1ccc([C@H](C#N)[N-]C(=O)C(F)(F)c2ccccc2F)cc1 ZINC000809258828 1135811329 /nfs/dbraw/zinc/81/13/29/1135811329.db2.gz IOAWPIJZYWAHQR-INIZCTEOSA-N -1 1 332.325 3.861 20 30 EHEDMM N#Cc1oc2ccccc2c1[N-]C(=O)c1cnccc1OC(F)F ZINC001199378873 1135901945 /nfs/dbraw/zinc/90/19/45/1135901945.db2.gz UIIMJDBWSZYSRG-UHFFFAOYSA-N -1 1 329.262 3.553 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3sccc32)cc1C#N ZINC001201319751 1136007328 /nfs/dbraw/zinc/00/73/28/1136007328.db2.gz IKPRJOXZWXSSMO-UHFFFAOYSA-N -1 1 328.418 3.882 20 30 EHEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1c(C)c2ccccc2n1C ZINC000814886833 1136520422 /nfs/dbraw/zinc/52/04/22/1136520422.db2.gz DZGFRPGEIKXAGF-UHFFFAOYSA-N -1 1 337.379 3.640 20 30 EHEDMM O=C(/C=C/c1cccc(NC(=O)C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000011285253 1136819899 /nfs/dbraw/zinc/81/98/99/1136819899.db2.gz ARZONVONUNGJTK-RUDMXATFSA-N -1 1 335.281 3.789 20 30 EHEDMM CC(C)[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000822913200 1137079266 /nfs/dbraw/zinc/07/92/66/1137079266.db2.gz TUTYDWKHLAISRL-ZDUSSCGKSA-N -1 1 345.187 3.595 20 30 EHEDMM Cc1cc(N2CCOCC2)ccc1N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866314738 1137344881 /nfs/dbraw/zinc/34/48/81/1137344881.db2.gz GPXFETXMRUQCRQ-HNNXBMFYSA-N -1 1 337.423 3.582 20 30 EHEDMM CC(C)(NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc(C#N)cc1 ZINC001148799868 1137435170 /nfs/dbraw/zinc/43/51/70/1137435170.db2.gz ZAHHWQYDUFITDN-UHFFFAOYSA-N -1 1 348.324 3.948 20 30 EHEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC[C@H](C)CCC#N)c1 ZINC000877570052 1137681537 /nfs/dbraw/zinc/68/15/37/1137681537.db2.gz FHLZZFXTHGEYCF-LLVKDONJSA-N -1 1 327.350 3.525 20 30 EHEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC[C@@H](C)CCC#N)c1 ZINC000877570053 1137681544 /nfs/dbraw/zinc/68/15/44/1137681544.db2.gz FHLZZFXTHGEYCF-NSHDSACASA-N -1 1 327.350 3.525 20 30 EHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC000337161273 1138482631 /nfs/dbraw/zinc/48/26/31/1138482631.db2.gz UJKJCNQXJOOORN-UHFFFAOYSA-N -1 1 330.384 3.570 20 30 EHEDMM CC(CCC1CCCC1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000735985178 598936124 /nfs/dbraw/zinc/93/61/24/598936124.db2.gz JSPXEDVTSRULGP-UHFFFAOYSA-N -1 1 345.451 3.910 20 30 EHEDMM C=CCCCN(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736102134 600262739 /nfs/dbraw/zinc/26/27/39/600262739.db2.gz BCRQXXJMRSGJPU-UHFFFAOYSA-N -1 1 345.226 3.528 20 30 EHEDMM CC(C)Oc1ccccc1[C@H](C)N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736493394 600594062 /nfs/dbraw/zinc/59/40/62/600594062.db2.gz UDTYPQZRMRIKHB-LIRRHRJNSA-N -1 1 338.407 3.822 20 30 EHEDMM C[C@@H](Oc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1)C(=O)[O-] ZINC000833541662 605120258 /nfs/dbraw/zinc/12/02/58/605120258.db2.gz SBQYFABAECKREN-DNVCBOLYSA-N -1 1 338.407 3.673 20 30 EHEDMM CC(C)(C(=O)[O-])[C@H](NCc1ccc(F)cc1C#N)c1ccccc1 ZINC000833413983 605182812 /nfs/dbraw/zinc/18/28/12/605182812.db2.gz KJGTYWZRZRSYRH-QGZVFWFLSA-N -1 1 326.371 3.639 20 30 EHEDMM CC(=NNc1cccc(C(=O)[O-])c1)c1[nH]c(-c2ccccc2)nc1C ZINC000833387106 605594891 /nfs/dbraw/zinc/59/48/91/605594891.db2.gz NYCZHLZNSNDXIC-UHFFFAOYSA-N -1 1 334.379 3.919 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(-n3cccn3)c2)n1 ZINC000080460334 1032067547 /nfs/dbraw/zinc/06/75/47/1032067547.db2.gz HPGUFNGBVGBGSY-OAHLLOKOSA-N -1 1 336.420 3.942 20 30 EHEDMM C=CCOC[C@@H](NCc1sc2c(cccc2Cl)c1C)C(=O)[O-] ZINC000901808694 980530194 /nfs/dbraw/zinc/53/01/94/980530194.db2.gz KNGRHBQYUNXIHT-CYBMUJFWSA-N -1 1 339.844 3.609 20 30 EHEDMM C#CCN(Cc1cc(C(=O)[O-])ccc1OC)[C@H]1CCCc2ccccc21 ZINC001588469677 983502945 /nfs/dbraw/zinc/50/29/45/983502945.db2.gz MLIDVKKKQICFPG-FQEVSTJZSA-N -1 1 349.430 3.906 20 30 EHEDMM C=CCC[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC001588777041 984154967 /nfs/dbraw/zinc/15/49/67/984154967.db2.gz SAJCSFOJJBZHPL-AWEZNQCLSA-N -1 1 349.390 3.950 20 30 EHEDMM CC(C)(C(=O)[O-])[C@H](NCc1cccc(F)c1C#N)c1ccccc1 ZINC001589600994 987424614 /nfs/dbraw/zinc/42/46/14/987424614.db2.gz DFBIBWHTMDOPIX-QGZVFWFLSA-N -1 1 326.371 3.639 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000016101156 1015588723 /nfs/dbraw/zinc/58/87/23/1015588723.db2.gz XZQVOXYXYCVLCO-UHFFFAOYSA-N -1 1 327.192 3.666 20 30 EHEDMM C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593208213 994220893 /nfs/dbraw/zinc/22/08/93/994220893.db2.gz HAEJLTCHTUQXOR-JSGCOSHPSA-N -1 1 329.425 3.927 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000589438930 1016727449 /nfs/dbraw/zinc/72/74/49/1016727449.db2.gz HNFISIUDLRBZMA-UHFFFAOYSA-N -1 1 339.363 3.721 20 30 EHEDMM Cc1ccc2oc(C([O-])=C(C#N)c3nc4cccc(C)c4[nH]3)cc2n1 ZINC000340246716 1016782767 /nfs/dbraw/zinc/78/27/67/1016782767.db2.gz WCSIUZMNOWRQIE-GFCCVEGCSA-N -1 1 330.347 3.811 20 30 EHEDMM N#Cc1cccc(OCCCCC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001625893734 1018610497 /nfs/dbraw/zinc/61/04/97/1018610497.db2.gz LNDSCAVXZNMCBH-UHFFFAOYSA-N -1 1 346.333 3.730 20 30 EHEDMM N#CC(=C([O-])C=Cc1cccc(OC2CCCC2)c1)c1ccncn1 ZINC000760340141 1032877913 /nfs/dbraw/zinc/87/79/13/1032877913.db2.gz LXPRJAHHKMPNCQ-GFOMBABLSA-N -1 1 333.391 3.688 20 30 EHEDMM N#C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc(F)cc1 ZINC000436797197 1021240218 /nfs/dbraw/zinc/24/02/18/1021240218.db2.gz YUQVBXWMPSQSIN-CYBMUJFWSA-N -1 1 338.260 3.545 20 30 EHEDMM COc1cccc(/C=C\C(=O)c2cc(O)ccc2[O-])c1OC(F)F ZINC000255345114 1021322315 /nfs/dbraw/zinc/32/23/15/1021322315.db2.gz LMDAWZSMCRYIGJ-ALCCZGGFSA-N -1 1 336.290 3.604 20 30 EHEDMM 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CCc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1Cl ZINC000586749816 1040996494 /nfs/dbraw/zinc/99/64/94/1040996494.db2.gz RGZJTQKQNZSGIZ-UHFFFAOYSA-N -1 1 334.828 3.769 20 30 EHEDMM N#CC(=C([O-])c1cc(Br)cs1)c1nc2ccccc2[nH]1 ZINC000194585550 1127462874 /nfs/dbraw/zinc/46/28/74/1127462874.db2.gz XHDPIZGVYISKMA-SECBINFHSA-N -1 1 346.209 3.877 20 30 EHEDMM C=CCC1([N-]S(=O)(=O)c2ccc(Br)o2)CCCCC1 ZINC001655339403 1120084386 /nfs/dbraw/zinc/08/43/86/1120084386.db2.gz BMCUPLQQQQHZBL-UHFFFAOYSA-N -1 1 348.262 3.599 20 30 EHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C)c2ncccc12 ZINC000193126813 1120929219 /nfs/dbraw/zinc/92/92/19/1120929219.db2.gz BFQNPNWGIAJRBG-UHFFFAOYSA-N -1 1 337.404 3.524 20 30 EHEDMM N#CCN(Cn1c(CCC2CCCC2)n[n-]c1=S)C1CCCC1 ZINC000153428282 1121075215 /nfs/dbraw/zinc/07/52/15/1121075215.db2.gz QXJQKLJBXSNEQR-UHFFFAOYSA-N -1 1 333.505 3.789 20 30 EHEDMM C=CCOc1ccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cc1OC ZINC000915988878 1122013763 /nfs/dbraw/zinc/01/37/63/1122013763.db2.gz MGNBUWZWGKRUKF-ZDLGFXPLSA-N -1 1 338.359 3.890 20 30 EHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2-c2ccccc2)c(=O)o1 ZINC000917517679 1122624692 /nfs/dbraw/zinc/62/46/92/1122624692.db2.gz VSIFWEIMNIDWCE-SGWGQVFISA-N -1 1 332.355 3.582 20 30 EHEDMM COc1cccc(-c2n[nH]cc2C=C2Oc3cc([O-])cc(C)c3C2=O)c1 ZINC000918713615 1122894681 /nfs/dbraw/zinc/89/46/81/1122894681.db2.gz LOVONOCOZKYTHW-CAOOACKPSA-N -1 1 348.358 3.716 20 30 EHEDMM C=CCCS(=O)(=O)[N-]c1cc(Br)ccc1OC(C)C ZINC000135382803 1123606267 /nfs/dbraw/zinc/60/62/67/1123606267.db2.gz PRDJZLGKCVKWCK-UHFFFAOYSA-N -1 1 348.262 3.554 20 30 EHEDMM CC(C)CCn1ncc(NC(=O)c2cc([O-])cc(C#N)c2)c1C(C)C ZINC000617172199 1124098726 /nfs/dbraw/zinc/09/87/26/1124098726.db2.gz PSENVIHXFDEZKA-UHFFFAOYSA-N -1 1 340.427 3.882 20 30 EHEDMM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000067946047 1129324243 /nfs/dbraw/zinc/32/42/43/1129324243.db2.gz BFCJFOOYWVQMQH-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM N#Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1[O-] ZINC000329147116 1129592667 /nfs/dbraw/zinc/59/26/67/1129592667.db2.gz AUDJGPBFNPGZHD-GUDVDZBRSA-N -1 1 332.403 3.672 20 30 EHEDMM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)c1OC ZINC000347749263 1129682388 /nfs/dbraw/zinc/68/23/88/1129682388.db2.gz WARVIDIMSRTJAU-ZDUSSCGKSA-N -1 1 336.347 3.644 20 30 EHEDMM CC(=Nn1cc(Br)cn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766025017 1129825430 /nfs/dbraw/zinc/82/54/30/1129825430.db2.gz HANGCHZHHSXCTL-UHFFFAOYSA-N -1 1 349.015 3.930 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3[nH]c(=O)oc3c2)n1 ZINC000673813667 1129857036 /nfs/dbraw/zinc/85/70/36/1129857036.db2.gz GHHGRWMYRZPJJE-SNVBAGLBSA-N -1 1 327.365 3.603 20 30 EHEDMM COc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC000730151857 1130679894 /nfs/dbraw/zinc/67/98/94/1130679894.db2.gz RNDCRRNROGKIGS-MDXIRLPMSA-N -1 1 343.310 3.832 20 30 EHEDMM COc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC000730151856 1130680004 /nfs/dbraw/zinc/68/00/04/1130680004.db2.gz RNDCRRNROGKIGS-FKVCUQLRSA-N -1 1 343.310 3.832 20 30 EHEDMM COc1ccc(OC(F)F)c(/C=C2\Oc3cc([O-])cc(C)c3C2=O)c1 ZINC000732926760 1130970889 /nfs/dbraw/zinc/97/08/89/1130970889.db2.gz UNOKMXOZWKYWGJ-CHHVJCJISA-N -1 1 348.301 3.927 20 30 EHEDMM C=CCOc1ccccc1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744677817 1132139784 /nfs/dbraw/zinc/13/97/84/1132139784.db2.gz PFOUQEFUYGOGDR-UHFFFAOYSA-N -1 1 340.375 3.559 20 30 EHEDMM Cc1cncc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)c1 ZINC001174753789 1132467023 /nfs/dbraw/zinc/46/70/23/1132467023.db2.gz VBHKLLQEKULJGD-DJKKODMXSA-N -1 1 337.408 3.669 20 30 EHEDMM O=C([O-])c1cc(NN=Cc2cc(-c3ccccc3)[nH]n2)ccc1Cl ZINC000767743605 1133046387 /nfs/dbraw/zinc/04/63/87/1133046387.db2.gz QJFXTZYMSFSNED-UHFFFAOYSA-N -1 1 340.770 3.874 20 30 EHEDMM CC(C)Cc1ccc([C@H](C)C(=O)N([O-])C(=N)c2ccccc2N)cc1 ZINC001180904479 1133426305 /nfs/dbraw/zinc/42/63/05/1133426305.db2.gz WHSJGQKIRFOWHZ-AWEZNQCLSA-N -1 1 339.439 3.814 20 30 EHEDMM C[C@@H](Cc1ccccc1)c1cc(C(=O)Nc2ccc(C#N)cc2[O-])n[nH]1 ZINC001185008910 1134013625 /nfs/dbraw/zinc/01/36/25/1134013625.db2.gz AFSUJQYBOSUEHT-ZDUSSCGKSA-N -1 1 346.390 3.585 20 30 EHEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1C ZINC001185836041 1134139276 /nfs/dbraw/zinc/13/92/76/1134139276.db2.gz DQKKLKJQCBSGPT-UHFFFAOYSA-N -1 1 338.791 3.768 20 30 EHEDMM C=CCC1(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)CCCC1 ZINC001190263874 1134674023 /nfs/dbraw/zinc/67/40/23/1134674023.db2.gz BPFNWIXYZYTTDJ-UHFFFAOYSA-N -1 1 329.412 3.688 20 30 EHEDMM N#Cc1ccc(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2)o1 ZINC001170321652 1134747132 /nfs/dbraw/zinc/74/71/32/1134747132.db2.gz BRWBIXYQTAZYCB-UHFFFAOYSA-N -1 1 334.331 3.524 20 30 EHEDMM COc1ccc2c(c1)C(=O)/C(=C\c1ccc([O-])c(Br)c1)C2 ZINC000747440631 1135599173 /nfs/dbraw/zinc/59/91/73/1135599173.db2.gz MEUQBDWUSIVJGF-SDQBBNPISA-N -1 1 345.192 3.986 20 30 EHEDMM CC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC001251301595 1135695343 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CCCCCCCC[C@H](C)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854341972 1136609151 /nfs/dbraw/zinc/60/91/51/1136609151.db2.gz CBDKWEXJXMVOLU-AWEZNQCLSA-N -1 1 337.464 3.868 20 30 EHEDMM C=C(C)C(C)(C)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000819558443 1136952384 /nfs/dbraw/zinc/95/23/84/1136952384.db2.gz WTEPKPWYTRGWFR-UHFFFAOYSA-N -1 1 342.361 3.714 20 30 EHEDMM CCc1nocc1C([O-])=C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000860473310 1137062011 /nfs/dbraw/zinc/06/20/11/1137062011.db2.gz WHIKMTFQOVUFFY-IUODEOHRSA-N -1 1 339.395 3.712 20 30 EHEDMM Cc1nc(SCCCOc2ccc(C#N)cc2)[n-]c(=O)c1C1CC1 ZINC000865373435 1137278279 /nfs/dbraw/zinc/27/82/79/1137278279.db2.gz URMNSLMGGDABLW-UHFFFAOYSA-N -1 1 341.436 3.801 20 30 EHEDMM N#CC(C(=O)c1cccc2c[nH]nc21)=C([O-])c1cc2c(s1)CCCC2 ZINC000845837196 1137314556 /nfs/dbraw/zinc/31/45/56/1137314556.db2.gz GIUXOXKNMHSSLZ-CQSZACIVSA-N -1 1 349.415 3.709 20 30 EHEDMM COC(=O)N(C)Cc1ccc(N[C@H](C)c2cccc(C#N)c2[O-])cc1 ZINC000866318532 1137345322 /nfs/dbraw/zinc/34/53/22/1137345322.db2.gz ASENXPZHRVIOAY-CYBMUJFWSA-N -1 1 339.395 3.635 20 30 EHEDMM Cc1ccc(N2CCOC2=O)cc1N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866332630 1137346421 /nfs/dbraw/zinc/34/64/21/1137346421.db2.gz DZWQDWLRJHJLTQ-CYBMUJFWSA-N -1 1 337.379 3.702 20 30 EHEDMM Cc1ccc(N2CCOC2=O)cc1N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866332631 1137346502 /nfs/dbraw/zinc/34/65/02/1137346502.db2.gz DZWQDWLRJHJLTQ-ZDUSSCGKSA-N -1 1 337.379 3.702 20 30 EHEDMM C=C[C@@H](C)O[N-]C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000846555502 1137355339 /nfs/dbraw/zinc/35/53/39/1137355339.db2.gz RYRAYHQCBGSXIA-LLVKDONJSA-N -1 1 329.318 3.530 20 30 EHEDMM C[C@H]1CCC(C)(C)CC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000884430249 1137959743 /nfs/dbraw/zinc/95/97/43/1137959743.db2.gz JSBUWXRFBWCXPS-NSHDSACASA-N -1 1 344.463 3.901 20 30 EHEDMM N#Cc1ccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)s1 ZINC000134514294 1137959757 /nfs/dbraw/zinc/95/97/57/1137959757.db2.gz REKMMCAHKVGKRQ-GORDUTHDSA-N -1 1 334.194 3.984 20 30 EHEDMM CC(C)CCN(CCC#N)C(=O)c1ccc(Br)cc1[O-] ZINC000094107563 1138244012 /nfs/dbraw/zinc/24/40/12/1138244012.db2.gz MBMXJLCEDNMMDN-UHFFFAOYSA-N -1 1 339.233 3.557 20 30 EHEDMM CCc1cccc2c(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)c[nH]c21 ZINC000825723018 608093411 /nfs/dbraw/zinc/09/34/11/608093411.db2.gz QPFAWZIQUBWQBF-VOTSOKGWSA-N -1 1 349.419 3.868 20 30 EHEDMM CCc1cccc2c(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)c[nH]c21 ZINC000825723018 608093412 /nfs/dbraw/zinc/09/34/12/608093412.db2.gz QPFAWZIQUBWQBF-VOTSOKGWSA-N -1 1 349.419 3.868 20 30 EHEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(C[S@@](C)=O)c2)n1 ZINC000080455469 1032068575 /nfs/dbraw/zinc/06/85/75/1032068575.db2.gz WEHXCNOOOKUVCJ-FATZIPQQSA-N -1 1 346.477 3.635 20 30 EHEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccccc1C(F)(F)F ZINC000756898793 978700624 /nfs/dbraw/zinc/70/06/24/978700624.db2.gz CGGMWFWGOXPXLG-UHFFFAOYSA-N -1 1 338.285 3.858 20 30 EHEDMM N#Cc1ccc(Oc2cccc(NC(=O)c3cncc([O-])c3)c2)cc1 ZINC000339925447 1015952305 /nfs/dbraw/zinc/95/23/05/1015952305.db2.gz ZHXAYHVAIBFELJ-UHFFFAOYSA-N -1 1 331.331 3.703 20 30 EHEDMM CC[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000614370592 1018883952 /nfs/dbraw/zinc/88/39/52/1018883952.db2.gz QQLRJEHWCVNPBT-OXJNMPFZSA-N -1 1 334.419 3.920 20 30 EHEDMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593189223 1032799549 /nfs/dbraw/zinc/79/95/49/1032799549.db2.gz YCENQURWUPOHOX-UHFFFAOYSA-N -1 1 328.437 3.905 20 30 EHEDMM CCCNc1ccc(C#N)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000340679335 1019201649 /nfs/dbraw/zinc/20/16/49/1019201649.db2.gz CSNIUGGCGHHUIE-UHFFFAOYSA-N -1 1 329.787 3.991 20 30 EHEDMM [O-]c1ccc(C=NNCCCOc2ccccc2)cc1Br ZINC000729147461 1019205487 /nfs/dbraw/zinc/20/54/87/1019205487.db2.gz CKKYIUISIOBEHY-UHFFFAOYSA-N -1 1 349.228 3.547 20 30 EHEDMM N#CC(=C([O-])C=Cc1cccc(OC2CCCC2)c1)c1ccncn1 ZINC000760340138 1032878993 /nfs/dbraw/zinc/87/89/93/1032878993.db2.gz LXPRJAHHKMPNCQ-BLGFXRMMSA-N -1 1 333.391 3.688 20 30 EHEDMM N#CC(=C([O-])C=Cc1cccc(OC2CCCC2)c1)c1ccncn1 ZINC000760340140 1032879724 /nfs/dbraw/zinc/87/97/24/1032879724.db2.gz LXPRJAHHKMPNCQ-CNZFZVQHSA-N -1 1 333.391 3.688 20 30 EHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000439623246 1021605672 /nfs/dbraw/zinc/60/56/72/1021605672.db2.gz GOGZLEYHWSHHSP-UHFFFAOYSA-N -1 1 343.452 3.716 20 30 EHEDMM C=CC[C@H](NCc1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000426818619 1023065385 /nfs/dbraw/zinc/06/53/85/1023065385.db2.gz VXXBJPYPYHLUSF-ZDUSSCGKSA-N -1 1 328.393 3.675 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1F ZINC000427118908 1023230785 /nfs/dbraw/zinc/23/07/85/1023230785.db2.gz COHTWPYAAXHUKS-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000610897224 1023840431 /nfs/dbraw/zinc/84/04/31/1023840431.db2.gz NMFLSCZKLAASTN-UHFFFAOYSA-N -1 1 337.404 3.524 20 30 EHEDMM N#CC(=C([O-])c1c[nH]nc1-c1ccoc1)c1nccc2ccccc21 ZINC000434644816 1024233697 /nfs/dbraw/zinc/23/36/97/1024233697.db2.gz HKCDJUQZHHNHKZ-HNNXBMFYSA-N -1 1 328.331 3.708 20 30 EHEDMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000282060579 1024488248 /nfs/dbraw/zinc/48/82/48/1024488248.db2.gz SBUMMHNSKZDEHU-UHFFFAOYSA-N -1 1 343.452 3.764 20 30 EHEDMM C[C@@H]1C[C@]1(NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000505764822 1025431322 /nfs/dbraw/zinc/43/13/22/1025431322.db2.gz FCYGKGXYHKXTTN-ADLMAVQZSA-N -1 1 326.783 3.582 20 30 EHEDMM CC(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1F ZINC000443042392 1025673796 /nfs/dbraw/zinc/67/37/96/1025673796.db2.gz CCBRDZLWNOQQRX-QGZVFWFLSA-N -1 1 330.334 3.669 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)nc(C(F)F)n3C)n1 ZINC000342628287 1026518679 /nfs/dbraw/zinc/51/86/79/1026518679.db2.gz FSUYNPWBTHUAJQ-SNVBAGLBSA-N -1 1 346.362 3.766 20 30 EHEDMM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3nccs3)c2C)n1 ZINC000122763352 1026720584 /nfs/dbraw/zinc/72/05/84/1026720584.db2.gz OPZSHMVATQTDBP-CYBMUJFWSA-N -1 1 342.449 3.806 20 30 EHEDMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000324819574 1028490776 /nfs/dbraw/zinc/49/07/76/1028490776.db2.gz RRJDESYLOZAOJD-AWEZNQCLSA-N -1 1 344.436 3.845 20 30 EHEDMM N#Cc1c([N-]C(=O)c2c(F)cc(C#N)cc2F)sc2c1CCC2 ZINC000445763067 1029114287 /nfs/dbraw/zinc/11/42/87/1029114287.db2.gz CMOHSFAXKJBECF-UHFFFAOYSA-N -1 1 329.331 3.511 20 30 EHEDMM C=CCOc1cc(OC)ccc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000155667387 1029604522 /nfs/dbraw/zinc/60/45/22/1029604522.db2.gz KRLJZILBTWFLRB-AWEZNQCLSA-N -1 1 328.393 3.515 20 30 EHEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1scnc1C1CC1 ZINC000179341630 1029867605 /nfs/dbraw/zinc/86/76/05/1029867605.db2.gz LKAPRHHESBKEBY-GFCCVEGCSA-N -1 1 345.811 3.635 20 30 EHEDMM Cc1cc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1C#N ZINC000447291762 1030075649 /nfs/dbraw/zinc/07/56/49/1030075649.db2.gz HGFNRSQZMWLZRV-UHFFFAOYSA-N -1 1 325.315 3.673 20 30 EHEDMM CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000447860720 1030554284 /nfs/dbraw/zinc/55/42/84/1030554284.db2.gz JBWYDXOZGGYHAV-SFHVURJKSA-N -1 1 326.371 3.872 20 30 EHEDMM C=C(C)[C@H](CC(=O)Nc1cc(C)cc(Br)c1[O-])OCC ZINC000482721297 1030670298 /nfs/dbraw/zinc/67/02/98/1030670298.db2.gz HFYSFGZPQZBHRI-ZDUSSCGKSA-N -1 1 342.233 3.773 20 30 EHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000179028296 1031460060 /nfs/dbraw/zinc/46/00/60/1031460060.db2.gz KXVSNXQTXPWOBC-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000176692685 1031475154 /nfs/dbraw/zinc/47/51/54/1031475154.db2.gz SKYONQQZMQYKJX-UHFFFAOYSA-N -1 1 348.399 3.618 20 30 EHEDMM C#CCCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2F)cc1 ZINC000904045875 1031664144 /nfs/dbraw/zinc/66/41/44/1031664144.db2.gz QOKBAXOFPIXXIY-IBGZPJMESA-N -1 1 341.382 3.533 20 30 EHEDMM CC(C)(C)OCc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000187951992 1031784371 /nfs/dbraw/zinc/78/43/71/1031784371.db2.gz GPMSCQQYUQCCLT-UHFFFAOYSA-N -1 1 338.407 3.509 20 30 EHEDMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1C ZINC000177843460 1035413586 /nfs/dbraw/zinc/41/35/86/1035413586.db2.gz JURMKBXOPMYESN-CYBMUJFWSA-N -1 1 330.771 3.765 20 30 EHEDMM CCCCOc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475808239 1036253329 /nfs/dbraw/zinc/25/33/29/1036253329.db2.gz FZWUIUDZRCGYMP-UHFFFAOYSA-N -1 1 344.436 3.732 20 30 EHEDMM CCCOc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000589168811 1036268694 /nfs/dbraw/zinc/26/86/94/1036268694.db2.gz FMTTVJGZTXRCIX-UHFFFAOYSA-N -1 1 330.771 3.958 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)NCCCCOc2ccc(Cl)cc2)c1 ZINC000589158525 1036283221 /nfs/dbraw/zinc/28/32/21/1036283221.db2.gz HTVDTOCLUDOFMQ-UHFFFAOYSA-N -1 1 344.798 3.506 20 30 EHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475811301 1036297568 /nfs/dbraw/zinc/29/75/68/1036297568.db2.gz QZLQMKBSXBVZMW-UHFFFAOYSA-N -1 1 342.420 3.508 20 30 EHEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000160768148 1037580478 /nfs/dbraw/zinc/58/04/78/1037580478.db2.gz RLVIWFAMMSJAHN-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000485396885 1039010323 /nfs/dbraw/zinc/01/03/23/1039010323.db2.gz ZVYKNWVKAWTLDP-UHFFFAOYSA-N -1 1 347.415 3.547 20 30 EHEDMM C=C[C@H](CCC(=O)[O-])NCc1cc(Cl)ccc1Br ZINC000417604388 1040054861 /nfs/dbraw/zinc/05/48/61/1040054861.db2.gz BRHFMIHCRGZXBW-LLVKDONJSA-N -1 1 332.625 3.612 20 30 EHEDMM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)sc2nccc(C)c12 ZINC000489883047 1040218624 /nfs/dbraw/zinc/21/86/24/1040218624.db2.gz IKWAKRRDGUNXDJ-CYBMUJFWSA-N -1 1 336.420 3.810 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000587197443 1041112896 /nfs/dbraw/zinc/11/28/96/1041112896.db2.gz NJTDVTSEULWRMK-VAMGGRTRSA-N -1 1 332.403 3.672 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1Cl ZINC000321874650 1042340918 /nfs/dbraw/zinc/34/09/18/1042340918.db2.gz PCTXMJVJNLGRLK-UHFFFAOYSA-N -1 1 346.839 3.891 20 30 EHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)C)cc2)n1 ZINC000067895522 1042968561 /nfs/dbraw/zinc/96/85/61/1042968561.db2.gz TVOFERMPSCONRH-CQSZACIVSA-N -1 1 342.420 3.933 20 30 EHEDMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055558747 1128523281 /nfs/dbraw/zinc/52/32/81/1128523281.db2.gz FNFJOHKXNGJPDD-UHFFFAOYSA-N -1 1 341.219 3.974 20 30 EHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000303555408 1128682321 /nfs/dbraw/zinc/68/23/21/1128682321.db2.gz MIYTWMAJJUFTGA-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000303826978 1128699708 /nfs/dbraw/zinc/69/97/08/1128699708.db2.gz KWIHOXCXGOQQGC-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM CCSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000032059607 1120857020 /nfs/dbraw/zinc/85/70/20/1120857020.db2.gz DYJXNFDZUBOAPN-UHFFFAOYSA-N -1 1 330.416 3.565 20 30 EHEDMM C=CCn1c(SC[C@H](C)C(=O)c2ccc([O-])cc2)nnc1C1CC1 ZINC000915820995 1121657907 /nfs/dbraw/zinc/65/79/07/1121657907.db2.gz ACNHWUNMPZBLDB-LBPRGKRZSA-N -1 1 343.452 3.658 20 30 EHEDMM COCCn1c(C)cc(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000916259507 1122104889 /nfs/dbraw/zinc/10/48/89/1122104889.db2.gz LNPMLZXTOYGRCS-UHFFFAOYSA-N -1 1 349.818 3.549 20 30 EHEDMM CC(=NNc1nc2ccccc2s1)c1cccc(OCC(=O)[O-])c1 ZINC000916246631 1122108635 /nfs/dbraw/zinc/10/86/35/1122108635.db2.gz NUVXRSQBDLSWEV-UHFFFAOYSA-N -1 1 341.392 3.596 20 30 EHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc(OCC(F)(F)F)cc1 ZINC000921266312 1123502397 /nfs/dbraw/zinc/50/23/97/1123502397.db2.gz XMVPOERWKWDIHB-VIZOYTHASA-N -1 1 336.265 3.950 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc(C(F)(F)F)c1 ZINC000616960188 1124059714 /nfs/dbraw/zinc/05/97/14/1124059714.db2.gz IQBGJBAPIGRDPO-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM O=C(CCCc1cc(F)ccc1F)Nc1n[n-]c(C(F)(F)F)n1 ZINC000090394276 1124907851 /nfs/dbraw/zinc/90/78/51/1124907851.db2.gz SKLRBDAAMLYTNC-UHFFFAOYSA-N -1 1 334.248 3.713 20 30 EHEDMM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc2ccccc2c1[O-] ZINC000618790176 1125201553 /nfs/dbraw/zinc/20/15/53/1125201553.db2.gz XJSCMLTYRFQUDG-IBGZPJMESA-N -1 1 328.371 3.834 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC000619555950 1125365349 /nfs/dbraw/zinc/36/53/49/1125365349.db2.gz QFNQTQCVKUSMQV-VQTJNVASSA-N -1 1 328.371 3.703 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)cc1[O-] ZINC000333354963 1129725216 /nfs/dbraw/zinc/72/52/16/1129725216.db2.gz SKPCJQDWZBSVPF-JOCHJYFZSA-N -1 1 346.430 3.774 20 30 EHEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)c2c([O-])cccc2Cl)c1 ZINC000733809806 1131080362 /nfs/dbraw/zinc/08/03/62/1131080362.db2.gz HXTBLKUTZWJGSH-CYBMUJFWSA-N -1 1 344.798 3.657 20 30 EHEDMM CSc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1C#N ZINC001155244464 1131680839 /nfs/dbraw/zinc/68/08/39/1131680839.db2.gz GNJHGYGPKMDIKM-UHFFFAOYSA-N -1 1 332.812 3.569 20 30 EHEDMM CCOC(=O)C1(CNc2cc(/C=N/[O-])cc(C(F)(F)F)c2)CCC1 ZINC001169562038 1132786608 /nfs/dbraw/zinc/78/66/08/1132786608.db2.gz WPBNMFWAVDTQFJ-ZVBGSRNCSA-N -1 1 344.333 3.659 20 30 EHEDMM N#Cc1ccc(C2=CCN(C(=O)c3c([O-])cccc3Cl)CC2)cc1 ZINC000768535584 1133152175 /nfs/dbraw/zinc/15/21/75/1133152175.db2.gz AOHOQFPKMPWXPN-UHFFFAOYSA-N -1 1 338.794 3.847 20 30 EHEDMM C=C(F)C(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1C ZINC001180115609 1133333609 /nfs/dbraw/zinc/33/36/09/1133333609.db2.gz FFQJRASNYWRIBA-UHFFFAOYSA-N -1 1 345.214 3.729 20 30 EHEDMM C=CC[S@](=O)(=NC(=O)c1ccc([O-])c(CC)c1)c1ccccc1 ZINC001180150813 1133339416 /nfs/dbraw/zinc/33/94/16/1133339416.db2.gz RDDNMSVZBBABPN-HSZRJFAPSA-N -1 1 329.421 3.808 20 30 EHEDMM CC1=CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC(C)(C)C1 ZINC000769807420 1133349681 /nfs/dbraw/zinc/34/96/81/1133349681.db2.gz MCYNNRCQGRUOGE-UHFFFAOYSA-N -1 1 342.447 3.821 20 30 EHEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000769931941 1133369039 /nfs/dbraw/zinc/36/90/39/1133369039.db2.gz GCAORZLZYAJBOJ-ZBFHGGJFSA-N -1 1 340.810 3.958 20 30 EHEDMM COc1ccccc1C1(CC(=O)Nc2ccc(C#N)cc2[O-])CCC1 ZINC001184988789 1134016812 /nfs/dbraw/zinc/01/68/12/1134016812.db2.gz JMFHPCNYMIROKO-UHFFFAOYSA-N -1 1 336.391 3.723 20 30 EHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)c(C)cc2C)ccc1Cl ZINC001185531552 1134104642 /nfs/dbraw/zinc/10/46/42/1134104642.db2.gz DALCDZFFOWHRQY-UHFFFAOYSA-N -1 1 334.828 3.938 20 30 EHEDMM CCc1cc(NC(=O)c2ncc(C(F)(F)F)[n-]2)cc(CC)c1C#N ZINC001188288797 1134445308 /nfs/dbraw/zinc/44/53/08/1134445308.db2.gz MJBSENUPUQCSNV-UHFFFAOYSA-N -1 1 336.317 3.677 20 30 EHEDMM CCc1cc(NC(=O)c2nc(C(F)(F)F)c[n-]2)cc(CC)c1C#N ZINC001188288797 1134445310 /nfs/dbraw/zinc/44/53/10/1134445310.db2.gz MJBSENUPUQCSNV-UHFFFAOYSA-N -1 1 336.317 3.677 20 30 EHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1C#N ZINC001189385608 1134577887 /nfs/dbraw/zinc/57/78/87/1134577887.db2.gz MMLQUCUCTIEPED-UHFFFAOYSA-N -1 1 340.379 3.960 20 30 EHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)cc1 ZINC001189949001 1134641015 /nfs/dbraw/zinc/64/10/15/1134641015.db2.gz WRIFAYCFHPUXRL-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM COc1cc(C(=O)Nc2ccc([C@@H](C)C#N)cc2)cc(Cl)c1[O-] ZINC001191147953 1134802124 /nfs/dbraw/zinc/80/21/24/1134802124.db2.gz WAHGDMVUUGWGNE-JTQLQIEISA-N -1 1 330.771 3.934 20 30 EHEDMM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1F ZINC001191696714 1134908575 /nfs/dbraw/zinc/90/85/75/1134908575.db2.gz HJRZTLSRNATGLN-UHFFFAOYSA-N -1 1 348.399 3.630 20 30 EHEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(F)c(C#N)c(F)c2)c1 ZINC001195158950 1135384095 /nfs/dbraw/zinc/38/40/95/1135384095.db2.gz ISZMUXBPVFMLBT-UHFFFAOYSA-N -1 1 336.363 3.761 20 30 EHEDMM C[C@H](NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)c1ccncc1 ZINC001196298623 1135544409 /nfs/dbraw/zinc/54/44/09/1135544409.db2.gz YKDUAUKPWQACHC-AWEZNQCLSA-N -1 1 343.386 3.817 20 30 EHEDMM CN(Cc1cncs1)C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196318664 1135545129 /nfs/dbraw/zinc/54/51/29/1135545129.db2.gz JNDPSTHLWMEEBV-UHFFFAOYSA-N -1 1 349.415 3.660 20 30 EHEDMM C#CC1(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)CCCCC1 ZINC001196328425 1135546176 /nfs/dbraw/zinc/54/61/76/1135546176.db2.gz INCWBDQUSQYHIX-UHFFFAOYSA-N -1 1 344.414 3.997 20 30 EHEDMM CC(C)(C)[C@H]1CCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000807971355 1135593666 /nfs/dbraw/zinc/59/36/66/1135593666.db2.gz RTWOFJMXWJBVPY-NSHDSACASA-N -1 1 330.436 3.511 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(C3SCCS3)c2)c1 ZINC000776319997 1136153801 /nfs/dbraw/zinc/15/38/01/1136153801.db2.gz JSPHEUNHSNGYNL-UHFFFAOYSA-N -1 1 342.445 3.995 20 30 EHEDMM C#C[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1ccc(Cl)cc1 ZINC000812351823 1136197155 /nfs/dbraw/zinc/19/71/55/1136197155.db2.gz APVYWGOBRDSSKW-CQSZACIVSA-N -1 1 334.753 3.626 20 30 EHEDMM Cc1cc2ccccc2nc1N=NCc1ccc(OCCC(=O)[O-])cc1 ZINC000776784616 1136663131 /nfs/dbraw/zinc/66/31/31/1136663131.db2.gz MAXJXQDZUQTFQZ-UHFFFAOYSA-N -1 1 349.390 3.843 20 30 EHEDMM N#C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1c(Cl)cccc1Cl ZINC001136630378 1137074197 /nfs/dbraw/zinc/07/41/97/1137074197.db2.gz PAIOYVHXYIWROX-GFCCVEGCSA-N -1 1 339.153 3.833 20 30 EHEDMM C[C@@H](Nc1cccc(CN2CCCC2=O)c1)c1cccc(C#N)c1[O-] ZINC000866315845 1137345000 /nfs/dbraw/zinc/34/50/00/1137345000.db2.gz MPPPYPHAEPHFIC-CQSZACIVSA-N -1 1 335.407 3.559 20 30 EHEDMM N#Cc1cccc2c1CC[C@H]2NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148799072 1137435196 /nfs/dbraw/zinc/43/51/96/1137435196.db2.gz HVFXCWBRYPTNOG-OAHLLOKOSA-N -1 1 346.308 3.700 20 30 EHEDMM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000331886968 1137924533 /nfs/dbraw/zinc/92/45/33/1137924533.db2.gz IIWZFRFOJCAAMG-RTBURBONSA-N -1 1 334.419 3.981 20 30 EHEDMM C[C@@H]1CCCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC1 ZINC000884430700 1137959705 /nfs/dbraw/zinc/95/97/05/1137959705.db2.gz ZGTHKSNNLRMLOK-LLVKDONJSA-N -1 1 330.436 3.655 20 30 EHEDMM C[C@H]1CCCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC1 ZINC000884430701 1137959733 /nfs/dbraw/zinc/95/97/33/1137959733.db2.gz ZGTHKSNNLRMLOK-NSHDSACASA-N -1 1 330.436 3.655 20 30 EHEDMM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000885252369 1137992797 /nfs/dbraw/zinc/99/27/97/1137992797.db2.gz AXGQGYZLGUUEAN-SFHVURJKSA-N -1 1 326.421 3.563 20 30 EHEDMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000337753606 1138659610 /nfs/dbraw/zinc/65/96/10/1138659610.db2.gz GYKJRKIUOQNZDL-UHFFFAOYSA-N -1 1 338.841 3.734 20 30 EHEDMM C=CCCSc1nc2c(c(-c3ccco3)c1-c1nn[n-]n1)CCC2 ZINC000735416397 598824115 /nfs/dbraw/zinc/82/41/15/598824115.db2.gz ILWKEEIROOAXHF-UHFFFAOYSA-N -1 1 339.424 3.679 20 30 EHEDMM CCCC[C@@H]1CCCC1N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000736441792 598437453 /nfs/dbraw/zinc/43/74/53/598437453.db2.gz UTFABTDXOKWHAK-GFCCVEGCSA-N -1 1 345.451 3.811 20 30 EHEDMM CC(C)Oc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000824334272 608092459 /nfs/dbraw/zinc/09/24/59/608092459.db2.gz UEMOIMJIHOZMOC-VOTSOKGWSA-N -1 1 340.408 3.612 20 30 EHEDMM CC(C)Oc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824334272 608092460 /nfs/dbraw/zinc/09/24/60/608092460.db2.gz UEMOIMJIHOZMOC-VOTSOKGWSA-N -1 1 340.408 3.612 20 30 EHEDMM N#Cc1ccc(CN2CCC[C@H](CCC(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000595878676 953773123 /nfs/dbraw/zinc/77/31/23/953773123.db2.gz MVXSNKBXITYNFG-GFCCVEGCSA-N -1 1 340.345 3.654 20 30 EHEDMM CC[C@](NCc1ccc(C#N)cc1F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595299581 980428726 /nfs/dbraw/zinc/42/87/26/980428726.db2.gz YWZCAWMIUICCSD-GOSISDBHSA-N -1 1 346.789 3.830 20 30 EHEDMM C=CCOc1ccc(CN=Nc2cccc(F)c2C(=O)[O-])cc1OC ZINC001588874950 984450080 /nfs/dbraw/zinc/45/00/80/984450080.db2.gz LUYDABUXBVLKJO-UHFFFAOYSA-N -1 1 344.342 3.543 20 30 EHEDMM CC(N=Nc1cccc(F)c1C(=O)[O-])c1c(Cl)nc2ccccn21 ZINC001589017203 985001368 /nfs/dbraw/zinc/00/13/68/985001368.db2.gz BMGHPRHRINGRMT-UHFFFAOYSA-N -1 1 346.749 3.661 20 30 EHEDMM C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000189917257 1016773882 /nfs/dbraw/zinc/77/38/82/1016773882.db2.gz LRQZOOOHQBELKB-NSHDSACASA-N -1 1 348.324 3.816 20 30 EHEDMM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614363286 1018855678 /nfs/dbraw/zinc/85/56/78/1018855678.db2.gz SPDJNPNHJCNVFK-NSHDSACASA-N -1 1 337.404 3.707 20 30 EHEDMM COc1ccc(/C=C\C(=O)c2ccc([O-])cc2)c(Br)c1O ZINC000761013943 1032810830 /nfs/dbraw/zinc/81/08/30/1032810830.db2.gz VACWSVVMKNUWPS-YWEYNIOJSA-N -1 1 349.180 3.765 20 30 EHEDMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000513388170 1019597399 /nfs/dbraw/zinc/59/73/99/1019597399.db2.gz CGQWOIFXQKAPQK-CQSZACIVSA-N -1 1 344.436 3.845 20 30 EHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1C1CC1 ZINC000427305514 1021300778 /nfs/dbraw/zinc/30/07/78/1021300778.db2.gz UPVUETDWHPXNSR-UHFFFAOYSA-N -1 1 330.384 3.684 20 30 EHEDMM CS[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C(C)(C)C ZINC000330805966 1022680073 /nfs/dbraw/zinc/68/00/73/1022680073.db2.gz HOOVGGWUEVDKCK-LLVKDONJSA-N -1 1 339.505 3.870 20 30 EHEDMM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1ccoc1 ZINC000126590477 1022897038 /nfs/dbraw/zinc/89/70/38/1022897038.db2.gz QJXLXBWXYGDYSH-GFCCVEGCSA-N -1 1 336.319 3.555 20 30 EHEDMM COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1OC(F)F ZINC000255404984 1023342951 /nfs/dbraw/zinc/34/29/51/1023342951.db2.gz BSBRVPMJUJKLQL-DJWKRKHSSA-N -1 1 336.290 3.604 20 30 EHEDMM C=CCCS(=O)(=O)[N-]c1cccnc1Oc1cccc(C)c1C ZINC000431179976 1023391292 /nfs/dbraw/zinc/39/12/92/1023391292.db2.gz NZFNIZQBWVRMEA-UHFFFAOYSA-N -1 1 332.425 3.809 20 30 EHEDMM CCOc1ccc(NC(=S)NN=C(C)c2ccc(F)cc2[O-])cc1 ZINC000727777735 1025124692 /nfs/dbraw/zinc/12/46/92/1025124692.db2.gz VKESREQAVNEHAT-UHFFFAOYSA-N -1 1 347.415 3.641 20 30 EHEDMM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442980737 1025644059 /nfs/dbraw/zinc/64/40/59/1025644059.db2.gz SBPNVGDEIMAXAA-INIZCTEOSA-N -1 1 328.799 3.668 20 30 EHEDMM N#Cc1ccc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)cc1[O-] ZINC000443298457 1025892073 /nfs/dbraw/zinc/89/20/73/1025892073.db2.gz SVJOAVZMDLFAMF-UHFFFAOYSA-N -1 1 338.794 3.847 20 30 EHEDMM N#CCc1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000048830158 1027754718 /nfs/dbraw/zinc/75/47/18/1027754718.db2.gz AVHRKNHSSWSRLY-CQSZACIVSA-N -1 1 329.281 3.657 20 30 EHEDMM N#Cc1ccc(OCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445452449 1028818449 /nfs/dbraw/zinc/81/84/49/1028818449.db2.gz CWCUMLQLEMPLKS-UHFFFAOYSA-N -1 1 327.727 3.546 20 30 EHEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447793459 1030492502 /nfs/dbraw/zinc/49/25/02/1030492502.db2.gz CHBHXHSWBORLKS-UHFFFAOYSA-N -1 1 344.289 3.517 20 30 EHEDMM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000447860719 1030552873 /nfs/dbraw/zinc/55/28/73/1030552873.db2.gz JBWYDXOZGGYHAV-GOSISDBHSA-N -1 1 326.371 3.872 20 30 EHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c(Cl)c1 ZINC000169252788 1034193689 /nfs/dbraw/zinc/19/36/89/1034193689.db2.gz AKGDLYLGPQFTGU-UHFFFAOYSA-N -1 1 345.182 3.805 20 30 EHEDMM C[C@H]1SCCN(C(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccccc1 ZINC000188438150 1034462988 /nfs/dbraw/zinc/46/29/88/1034462988.db2.gz DQIWASRCHHHZTM-ACJLOTCBSA-N -1 1 338.432 3.583 20 30 EHEDMM CC(C)C[C@@H](C#N)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC001267479688 1034695317 /nfs/dbraw/zinc/69/53/17/1034695317.db2.gz NSUBXUPCDKNVCE-LBPRGKRZSA-N -1 1 345.187 3.595 20 30 EHEDMM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000450978976 1035009468 /nfs/dbraw/zinc/00/94/68/1035009468.db2.gz NGHDNJQVDWDFMA-NSHDSACASA-N -1 1 342.873 3.771 20 30 EHEDMM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451022939 1035020250 /nfs/dbraw/zinc/02/02/50/1035020250.db2.gz DDQAPKOKSGACMF-CQSZACIVSA-N -1 1 340.857 3.525 20 30 EHEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000173004279 1035524970 /nfs/dbraw/zinc/52/49/70/1035524970.db2.gz SHZJDWVGGUGERO-UHFFFAOYSA-N -1 1 340.326 3.686 20 30 EHEDMM COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])c(Cl)c1OC ZINC000255893298 1036219838 /nfs/dbraw/zinc/21/98/38/1036219838.db2.gz LCGFCQSHJOWKHC-UTCJRWHESA-N -1 1 334.755 3.665 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3c(Cl)c(Cl)ccc3C2)c1 ZINC000589175771 1036272367 /nfs/dbraw/zinc/27/23/67/1036272367.db2.gz VCCBBQZCEAIOHY-UHFFFAOYSA-N -1 1 347.201 3.769 20 30 EHEDMM COc1cccc(C=C2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000589189579 1036298306 /nfs/dbraw/zinc/29/83/06/1036298306.db2.gz GSTGGVIYPQZRSH-UHFFFAOYSA-N -1 1 348.402 3.592 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC000589189322 1036299934 /nfs/dbraw/zinc/29/99/34/1036299934.db2.gz JZBSISALLIMAJC-JOCHJYFZSA-N -1 1 346.430 3.774 20 30 EHEDMM C=CCNC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000190948717 1036309815 /nfs/dbraw/zinc/30/98/15/1036309815.db2.gz VBPRDEVJZKMZTO-UHFFFAOYSA-N -1 1 345.786 3.605 20 30 EHEDMM N#Cc1c([N-]C(=O)c2c(F)cc(C#N)cc2F)sc2c1CCCC2 ZINC000176249458 1036789085 /nfs/dbraw/zinc/78/90/85/1036789085.db2.gz UPHJTFRZLSDHKY-UHFFFAOYSA-N -1 1 343.358 3.901 20 30 EHEDMM C=CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000177495610 1036857321 /nfs/dbraw/zinc/85/73/21/1036857321.db2.gz ZUOPZWGTDCVAAE-UHFFFAOYSA-N -1 1 344.436 3.782 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2CCc2ccccc2)cc1[O-] ZINC000443061844 1036861214 /nfs/dbraw/zinc/86/12/14/1036861214.db2.gz WAVRHBVMRFNLFF-IBGZPJMESA-N -1 1 334.419 3.891 20 30 EHEDMM N#CCc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000029966986 1037521728 /nfs/dbraw/zinc/52/17/28/1037521728.db2.gz JWSCDBMYHSATQX-UHFFFAOYSA-N -1 1 340.326 3.572 20 30 EHEDMM N#CC(=C([O-])c1ccc(N2CCCC2)nc1)c1nc2ccccc2s1 ZINC000122870305 1038008625 /nfs/dbraw/zinc/00/86/25/1038008625.db2.gz LEZVODLJLDJPEC-AWEZNQCLSA-N -1 1 348.431 3.782 20 30 EHEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000416531216 1038741742 /nfs/dbraw/zinc/74/17/42/1038741742.db2.gz NVKQRQCNXKLHKT-UHFFFAOYSA-N -1 1 342.873 3.773 20 30 EHEDMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000585722732 1043011641 /nfs/dbraw/zinc/01/16/41/1043011641.db2.gz NRUPLIOAYJXXSA-UHFFFAOYSA-N -1 1 328.437 3.985 20 30 EHEDMM C=CC[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccncc1 ZINC000764279320 1127473260 /nfs/dbraw/zinc/47/32/60/1127473260.db2.gz JJUUJTFAMONVEM-AWEZNQCLSA-N -1 1 347.212 3.597 20 30 EHEDMM O=C(/C=C/c1sccc1Br)c1cc(O)ccc1[O-] ZINC000764917644 1127551278 /nfs/dbraw/zinc/55/12/78/1127551278.db2.gz YBNXGUKWOWQKEH-ONEGZZNKSA-N -1 1 325.183 3.818 20 30 EHEDMM N#CC(=C([O-])c1ccc2oc(=O)[nH]c2c1)c1nc2ccccc2s1 ZINC000347603125 1128130737 /nfs/dbraw/zinc/13/07/37/1128130737.db2.gz XJKVPNNHGWINND-SNVBAGLBSA-N -1 1 335.344 3.633 20 30 EHEDMM N#Cc1ccc(CN(C(=O)c2ccc(Cl)cc2[O-])C2CC2)cc1 ZINC000193238902 1120996717 /nfs/dbraw/zinc/99/67/17/1120996717.db2.gz JHOCNVQORHVALD-UHFFFAOYSA-N -1 1 326.783 3.722 20 30 EHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cnn(-c2ccc(Cl)cc2)c1 ZINC000915988237 1122012006 /nfs/dbraw/zinc/01/20/06/1122012006.db2.gz RKWQDLXQUUZMON-REZTVBANSA-N -1 1 338.750 3.848 20 30 EHEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cccs1 ZINC000916368791 1122137242 /nfs/dbraw/zinc/13/72/42/1122137242.db2.gz NUEORVZGJGMTAM-UHFFFAOYSA-N -1 1 332.479 3.803 20 30 EHEDMM Fc1cccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c1 ZINC000916368635 1122137309 /nfs/dbraw/zinc/13/73/09/1122137309.db2.gz KVUAVBXHEZVUKP-UHFFFAOYSA-N -1 1 344.440 3.880 20 30 EHEDMM O=C(Cn1ccc2ccc(Cl)cc21)Nc1nc(-c2ccco2)n[nH]1 ZINC000065044807 1122355898 /nfs/dbraw/zinc/35/58/98/1122355898.db2.gz SQJZQJITLHNNKO-UHFFFAOYSA-N -1 1 341.758 3.961 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cnc(-c3ccccc3)nc1)O2 ZINC000917145457 1122537697 /nfs/dbraw/zinc/53/76/97/1122537697.db2.gz AZFBAVYZVKNZMS-CAOOACKPSA-N -1 1 330.343 3.774 20 30 EHEDMM [O-]c1ccc(C=NN2C(=S)N=NC2c2cccs2)cc1Cl ZINC000921256144 1123495101 /nfs/dbraw/zinc/49/51/01/1123495101.db2.gz HYQFWGPZFQRANO-UHFFFAOYSA-N -1 1 336.829 3.537 20 30 EHEDMM N#Cc1ccc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1[O-] ZINC000615461873 1123807368 /nfs/dbraw/zinc/80/73/68/1123807368.db2.gz VQHSVNRUJAZXJE-KRWDZBQOSA-N -1 1 345.402 3.765 20 30 EHEDMM C[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000615500498 1123811628 /nfs/dbraw/zinc/81/16/28/1123811628.db2.gz JRAGXFOTXABJHY-NSHDSACASA-N -1 1 348.324 3.816 20 30 EHEDMM C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000619582575 1125368056 /nfs/dbraw/zinc/36/80/56/1125368056.db2.gz KNHIGGVIWPAUQD-ZUZCIYMTSA-N -1 1 326.318 3.613 20 30 EHEDMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000391868074 1129689938 /nfs/dbraw/zinc/68/99/38/1129689938.db2.gz CJIWBMDWHNHMBY-UHFFFAOYSA-N -1 1 328.437 3.792 20 30 EHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc(Br)cc1F ZINC000733805197 1131080682 /nfs/dbraw/zinc/08/06/82/1131080682.db2.gz GZKBOAJKJSRYDA-LHHJGKSTSA-N -1 1 335.128 3.910 20 30 EHEDMM COc1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)c(OC(F)F)c1 ZINC000187224776 1131638672 /nfs/dbraw/zinc/63/86/72/1131638672.db2.gz NCNJGRUJOWMVSD-SDQBBNPISA-N -1 1 332.302 3.825 20 30 EHEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c([O-])cccc1Cl ZINC000745189475 1132211696 /nfs/dbraw/zinc/21/16/96/1132211696.db2.gz PDFDULMEEKEVTR-UHFFFAOYSA-N -1 1 346.770 3.782 20 30 EHEDMM COc1cc(C#N)ccc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000768893248 1133198156 /nfs/dbraw/zinc/19/81/56/1133198156.db2.gz YERZCJKEWCTRJE-BQYQJAHWSA-N -1 1 348.811 3.633 20 30 EHEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1c([O-])cccc1Cl ZINC000769713939 1133333424 /nfs/dbraw/zinc/33/34/24/1133333424.db2.gz CZWJDRCXOVFHSU-UHFFFAOYSA-N -1 1 331.799 3.883 20 30 EHEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(C)(C)C#N)c1 ZINC001185828773 1134138386 /nfs/dbraw/zinc/13/83/86/1134138386.db2.gz IVCYJUHQPFZGLP-UHFFFAOYSA-N -1 1 332.400 3.736 20 30 EHEDMM [O-]c1ccc(Cl)c(F)c1C=NNCc1cccc2cccnc21 ZINC000790157489 1134376345 /nfs/dbraw/zinc/37/63/45/1134376345.db2.gz CPHWHFIBXYQQOU-UHFFFAOYSA-N -1 1 329.762 3.857 20 30 EHEDMM CC(C)(C)c1cnc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)s1 ZINC000790599656 1134440879 /nfs/dbraw/zinc/44/08/79/1134440879.db2.gz AMPNNANJKICWKH-SREVYHEPSA-N -1 1 331.393 3.741 20 30 EHEDMM CCOc1c(F)cc(C(=O)Nc2ccc(C#N)cc2[O-])cc1Cl ZINC001190748361 1134746175 /nfs/dbraw/zinc/74/61/75/1134746175.db2.gz OVDBUJKAWMFCMC-UHFFFAOYSA-N -1 1 334.734 3.707 20 30 EHEDMM CC(C)(C)c1cc(C(=O)Nc2[nH]cnc2C#N)c([O-])c(C(C)(C)C)c1 ZINC001190955909 1134776681 /nfs/dbraw/zinc/77/66/81/1134776681.db2.gz BNBPZZRQBKJAKC-UHFFFAOYSA-N -1 1 340.427 3.834 20 30 EHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(N3CCCCCC3)cc2)c1 ZINC000792704951 1134783291 /nfs/dbraw/zinc/78/32/91/1134783291.db2.gz PVHNISOWHRXGEF-UHFFFAOYSA-N -1 1 335.407 3.897 20 30 EHEDMM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C#N)cc(OC)c2)cc1 ZINC001191254571 1134825750 /nfs/dbraw/zinc/82/57/50/1134825750.db2.gz XGUCBICOHBTFCZ-UHFFFAOYSA-N -1 1 344.436 3.710 20 30 EHEDMM N#C[C@H]([N-]C(=O)C(F)(F)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000793452354 1134940776 /nfs/dbraw/zinc/94/07/76/1134940776.db2.gz UERFANQSJUTFQC-HNNXBMFYSA-N -1 1 334.753 3.899 20 30 EHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(Oc2ccc(Cl)cc2)c1 ZINC001193158977 1135111335 /nfs/dbraw/zinc/11/13/35/1135111335.db2.gz XSUWRQIGQYJQFH-NSHDSACASA-N -1 1 336.800 3.786 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C#N)c2)c2ccccc12 ZINC001193865325 1135198535 /nfs/dbraw/zinc/19/85/35/1135198535.db2.gz ZIQIDTLMCNQGIE-UHFFFAOYSA-N -1 1 338.388 3.526 20 30 EHEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(OC)c(OC)c2C)c1 ZINC000806573656 1135463965 /nfs/dbraw/zinc/46/39/65/1135463965.db2.gz PBRYRHWKQVRTPM-VMPITWQZSA-N -1 1 328.364 3.623 20 30 EHEDMM Cc1ncc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)nc1C ZINC001196309578 1135540765 /nfs/dbraw/zinc/54/07/65/1135540765.db2.gz YZASHQMSWGXCEU-UHFFFAOYSA-N -1 1 344.374 3.590 20 30 EHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1C#N ZINC001201323853 1136007820 /nfs/dbraw/zinc/00/78/20/1136007820.db2.gz OGPBUFMLSBEZPU-UHFFFAOYSA-N -1 1 330.384 3.684 20 30 EHEDMM O=C([N-]CCCc1cccc(C(F)(F)F)c1)C(F)(F)C(F)F ZINC000749357604 1136059697 /nfs/dbraw/zinc/05/96/97/1136059697.db2.gz WIVSNEIUPNUIJA-UHFFFAOYSA-N -1 1 331.231 3.655 20 30 EHEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1nccc2ccccc21 ZINC000811645973 1136116519 /nfs/dbraw/zinc/11/65/19/1136116519.db2.gz GOGGOVSYTQUAJZ-UHFFFAOYSA-N -1 1 335.363 3.778 20 30 EHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccccc1-c1ccnn1C)O2 ZINC000814188406 1136420200 /nfs/dbraw/zinc/42/02/00/1136420200.db2.gz KFOSBWQIXFVJMO-ZDLGFXPLSA-N -1 1 332.359 3.717 20 30 EHEDMM CC(N=Nc1cc(F)c(F)cc1F)c1ccc(C(=O)[O-])c(F)c1 ZINC000776770084 1136659199 /nfs/dbraw/zinc/65/91/99/1136659199.db2.gz MUZZDTRKMDBMOY-UHFFFAOYSA-N -1 1 326.249 3.777 20 30 EHEDMM N#C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC001136673114 1137087650 /nfs/dbraw/zinc/08/76/50/1137087650.db2.gz JZUWMMMXSVEXJM-CQSZACIVSA-N -1 1 338.260 3.545 20 30 EHEDMM C=C(C)CO[N-]C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C ZINC000846537214 1137355867 /nfs/dbraw/zinc/35/58/67/1137355867.db2.gz DFTBZHXHLCDTGA-UHFFFAOYSA-N -1 1 347.846 3.617 20 30 EHEDMM N#Cc1ccc(OCCNc2cc(/C=N/[O-])cc(C(F)(F)F)c2)cc1 ZINC001171484324 1137491000 /nfs/dbraw/zinc/49/10/00/1137491000.db2.gz NZYLSKBUJXHWAD-FOKLQQMPSA-N -1 1 349.312 3.876 20 30 EHEDMM N#CCCC[C@@H]([NH2+]Cc1nnc(-c2ccccc2O)o1)c1ccccc1 ZINC000878648439 1137723645 /nfs/dbraw/zinc/72/36/45/1137723645.db2.gz OBSPIDDCLABJFG-QGZVFWFLSA-N -1 1 348.406 3.967 20 30 EHEDMM CC(C)(C)[S@@](=O)Cc1cccc(/N=C/c2ccc(O)c([O-])c2O)c1 ZINC000115961354 1137924054 /nfs/dbraw/zinc/92/40/54/1137924054.db2.gz CNZKMPZYNIUMBR-PEHFAQBGSA-N -1 1 347.436 3.601 20 30 EHEDMM C=CC1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000571769278 600829286 /nfs/dbraw/zinc/82/92/86/600829286.db2.gz XVABDGKWJCESFJ-UHFFFAOYSA-N -1 1 328.437 3.906 20 30 EHEDMM N#Cc1cc(F)ccc1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000833069838 604783601 /nfs/dbraw/zinc/78/36/01/604783601.db2.gz UXNCLTHVBFAKLK-UHFFFAOYSA-N -1 1 326.371 3.564 20 30 EHEDMM CSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821979821 606389120 /nfs/dbraw/zinc/38/91/20/606389120.db2.gz YRJMQKJWMAZHTI-VURMDHGXSA-N -1 1 328.422 3.546 20 30 EHEDMM C[C@@H]1Sc2sccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822000722 606392389 /nfs/dbraw/zinc/39/23/89/606392389.db2.gz VEFGTIMOXIVJLL-FSEMZKDTSA-N -1 1 346.462 3.750 20 30 EHEDMM