smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cc(F)ccc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000177587447 1020990427 /nfs/dbraw/zinc/99/04/27/1020990427.db2.gz HXDQVJRUSIUBSW-UHFFFAOYSA-N -1 3 341.729 4.258 20 30 EIEDHM [O-]c1c(O)ccc(C=Nc2ccc(CCC(F)(F)F)cc2)c1O ZINC000255226900 1022446137 /nfs/dbraw/zinc/44/61/37/1022446137.db2.gz GFGHPVSQLXQDAG-UHFFFAOYSA-N -1 3 325.286 4.049 20 30 EIEDHM C=CCOc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430594128 1023164891 /nfs/dbraw/zinc/16/48/91/1023164891.db2.gz FWQCVQPWHSFKDB-OAHLLOKOSA-N -1 3 340.448 4.495 20 30 EIEDHM C=CC[C@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000656759363 1023500190 /nfs/dbraw/zinc/50/01/90/1023500190.db2.gz DOVBUXAZPQYUNI-NHYWBVRUSA-N -1 3 328.239 4.407 20 30 EIEDHM C=CC[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000656760678 1023501786 /nfs/dbraw/zinc/50/17/86/1023501786.db2.gz XJDXQGXSCYOREY-XHDPSFHLSA-N -1 3 328.239 4.407 20 30 EIEDHM C=CC[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000656760677 1023502100 /nfs/dbraw/zinc/50/21/00/1023502100.db2.gz XJDXQGXSCYOREY-NHYWBVRUSA-N -1 3 328.239 4.407 20 30 EIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=Cc1ccc(Cl)s1 ZINC000194084646 1023883779 /nfs/dbraw/zinc/88/37/79/1023883779.db2.gz KUNIUXZZOHETLO-WAFBPQNNSA-N -1 3 341.823 4.178 20 30 EIEDHM CCc1cc(C#N)c([N-]C(=O)c2coc(C3CCCCC3)n2)s1 ZINC000548601232 1025698094 /nfs/dbraw/zinc/69/80/94/1025698094.db2.gz BOMNCGLGSNMMFV-UHFFFAOYSA-N -1 3 329.425 4.470 20 30 EIEDHM CC(F)(F)CC(=O)[N-][C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000277468311 1026115971 /nfs/dbraw/zinc/11/59/71/1026115971.db2.gz MGXSQTQFASHSSU-SNVBAGLBSA-N -1 3 347.230 4.053 20 30 EIEDHM C=CCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000426827693 1026584998 /nfs/dbraw/zinc/58/49/98/1026584998.db2.gz JDRFSJZZUGTSGV-GOSISDBHSA-N -1 3 345.826 4.129 20 30 EIEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])s1 ZINC000340440178 1028989523 /nfs/dbraw/zinc/98/95/23/1028989523.db2.gz HFDHTRXJHNNFDW-UHFFFAOYSA-N -1 3 347.421 4.065 20 30 EIEDHM Cc1sc([N-]C(=O)c2ncoc2-c2ccc(C)cc2)c(C#N)c1C ZINC000525117985 1029457710 /nfs/dbraw/zinc/45/77/10/1029457710.db2.gz MXMIJLPEYUXJLQ-UHFFFAOYSA-N -1 3 337.404 4.452 20 30 EIEDHM CCCCCCCCC[C@@H](C)CC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000278758605 1029821257 /nfs/dbraw/zinc/82/12/57/1029821257.db2.gz NKJAKPHPIBBOQR-MRXNPFEDSA-N -1 3 347.503 4.234 20 30 EIEDHM C[C@@H](C/N=C/c1cc(Cl)ccc1[O-])c1nc(-c2ccccc2)no1 ZINC000760227763 1030464462 /nfs/dbraw/zinc/46/44/62/1030464462.db2.gz QTMVYDPLSYWGKB-DQAKUKQTSA-N -1 3 341.798 4.318 20 30 EIEDHM CCOc1ccc(-c2nc(C([O-])=C(C#N)c3ccccn3)cs2)cc1 ZINC000041480727 1031491907 /nfs/dbraw/zinc/49/19/07/1031491907.db2.gz VCSPAYMYBWAPJS-HNNXBMFYSA-N -1 3 349.415 4.094 20 30 EIEDHM Cc1nc(-c2cccs2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000041493151 1031492439 /nfs/dbraw/zinc/49/24/39/1031492439.db2.gz PWDPEBDCRKVJFV-LLVKDONJSA-N -1 3 325.418 4.065 20 30 EIEDHM CCCCCCCCC[C@@H](C)CC(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000280119068 1035159993 /nfs/dbraw/zinc/15/99/93/1035159993.db2.gz FNPASGHCXVWILN-MRXNPFEDSA-N -1 3 347.503 4.234 20 30 EIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(F)c4ccccc4c3)nc1-2 ZINC000345497509 1035241184 /nfs/dbraw/zinc/24/11/84/1035241184.db2.gz YRNMHCUWHRAPET-HNNXBMFYSA-N -1 3 344.349 4.049 20 30 EIEDHM CCC(CC)n1nc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cc1C ZINC000345662123 1035280299 /nfs/dbraw/zinc/28/02/99/1035280299.db2.gz LYCOIIUDAUWBQU-OAHLLOKOSA-N -1 3 349.438 4.227 20 30 EIEDHM C=C(C)[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)c(F)c1 ZINC000501016582 1035349421 /nfs/dbraw/zinc/34/94/21/1035349421.db2.gz UEHOIYSVVDNKAK-INIZCTEOSA-N -1 3 337.753 4.371 20 30 EIEDHM Cc1sc([N-]C(=O)c2cc(-c3ccccc3F)on2)c(C#N)c1C ZINC000604110129 1037213706 /nfs/dbraw/zinc/21/37/06/1037213706.db2.gz HJGWPSBEKLXDBG-UHFFFAOYSA-N -1 3 341.367 4.283 20 30 EIEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3coc(C4CC4)n3)sc2[C@H](C)C1 ZINC000590999748 1037250384 /nfs/dbraw/zinc/25/03/84/1037250384.db2.gz CFCRPTQGCNQTTD-NXEZZACHSA-N -1 3 341.436 4.423 20 30 EIEDHM N#CC(=C([O-])c1ccc2c(c1)CCC2)c1nc2cc(F)ccc2s1 ZINC000592974087 1037884588 /nfs/dbraw/zinc/88/45/88/1037884588.db2.gz NEZFWRKWFJHRGN-HNNXBMFYSA-N -1 3 336.391 4.414 20 30 EIEDHM COc1cc(/C=C2/CCOc3ccc(F)cc3C2=O)cc(Cl)c1[O-] ZINC000210276519 1038648616 /nfs/dbraw/zinc/64/86/16/1038648616.db2.gz ANCZZSLYGZXSJM-WDZFZDKYSA-N -1 3 348.757 4.242 20 30 EIEDHM CCCCCCCCc1nnc([N-]C(=O)c2oc(C)nc2C)s1 ZINC000174198300 1038866062 /nfs/dbraw/zinc/86/60/62/1038866062.db2.gz YXNSJOXOBLQWGA-UHFFFAOYSA-N -1 3 336.461 4.298 20 30 EIEDHM CCOc1cc(/C=C\C(=O)c2cnn(C3CCC3)c2)cc(Cl)c1[O-] ZINC000899406848 1039099169 /nfs/dbraw/zinc/09/91/69/1039099169.db2.gz NUDCVUMJEQSRFU-SREVYHEPSA-N -1 3 346.814 4.262 20 30 EIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccsc2)cc1 ZINC000128603098 1039832021 /nfs/dbraw/zinc/83/20/21/1039832021.db2.gz JNOXKRYYLJUKFP-MRXNPFEDSA-N -1 3 326.421 4.052 20 30 EIEDHM C[C@@H](CC(F)(F)F)C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000457694007 1040226734 /nfs/dbraw/zinc/22/67/34/1040226734.db2.gz IIWAHBTWJZKPIE-WKEGUHRASA-N -1 3 349.221 4.273 20 30 EIEDHM N#CC(=C([O-])c1ccc2ccc(Cl)cc2n1)c1nc2ccccc2[nH]1 ZINC000083937569 1040485046 /nfs/dbraw/zinc/48/50/46/1040485046.db2.gz ONHPJFIZWSFJLE-CYBMUJFWSA-N -1 3 346.777 4.255 20 30 EIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)c(C)o2)cc1 ZINC000128765550 1040607888 /nfs/dbraw/zinc/60/78/88/1040607888.db2.gz XAZABECWHZHGJY-SJKOYZFVSA-N -1 3 338.407 4.371 20 30 EIEDHM N#CC(=C([O-])c1ccc(SC2CC2)cc1)c1cnc2ccccc2n1 ZINC000483216357 1040771019 /nfs/dbraw/zinc/77/10/19/1040771019.db2.gz URIXPZJJAMHNPZ-INIZCTEOSA-N -1 3 345.427 4.374 20 30 EIEDHM CC(C)(C#N)c1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436825470 1041504293 /nfs/dbraw/zinc/50/42/93/1041504293.db2.gz KVDNOELEYBGECF-UHFFFAOYSA-N -1 3 334.419 4.324 20 30 EIEDHM COc1cc(C(=O)/C=C/c2ccc(C(F)(F)F)s2)ccc1[O-] ZINC000761476625 1042663984 /nfs/dbraw/zinc/66/39/84/1042663984.db2.gz JAZGYXFDOSDWSI-ZZXKWVIFSA-N -1 3 328.311 4.377 20 30 EIEDHM Cc1ccn(C)c1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000190663539 1042882046 /nfs/dbraw/zinc/88/20/46/1042882046.db2.gz BAFOMAKNVJIJBI-NSHDSACASA-N -1 3 329.812 4.087 20 30 EIEDHM COc1ccc(C[C@@H](C)/N=C/c2cc(Cl)ccc2[O-])cc1OC ZINC000730148207 1043457324 /nfs/dbraw/zinc/45/73/24/1043457324.db2.gz ZTZLIOKLZNYSGS-ZICWZVMQSA-N -1 3 333.815 4.113 20 30 EIEDHM C=CCOc1ccc(CNC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000804140517 1044724731 /nfs/dbraw/zinc/72/47/31/1044724731.db2.gz MMKBPBDNZMCKDQ-UHFFFAOYSA-N -1 3 339.416 4.102 20 30 EIEDHM COc1cc(C/N=C\c2cc(Cl)ccc2[O-])ccc1OC(C)C ZINC000914835446 1044804462 /nfs/dbraw/zinc/80/44/62/1044804462.db2.gz KXSLFFALHGOQNS-JAIQZWGSSA-N -1 3 333.815 4.461 20 30 EIEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])c1ccc(C#N)cc1 ZINC000915112846 1045109675 /nfs/dbraw/zinc/10/96/75/1045109675.db2.gz IJUKARZWEKKHJC-ORPVNXHJSA-N -1 3 329.197 4.206 20 30 EIEDHM N#C[C@@H]([N-]C(=O)C1(C(F)(F)F)CC1)c1cccc(Cl)c1Cl ZINC000611249397 1045265640 /nfs/dbraw/zinc/26/56/40/1045265640.db2.gz UKADJWDBBPGMEN-SECBINFHSA-N -1 3 337.128 4.017 20 30 EIEDHM Cc1ccc(F)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000193770109 1045466566 /nfs/dbraw/zinc/46/65/66/1045466566.db2.gz LKVCWMNWFJNFAO-CYBMUJFWSA-N -1 3 343.308 4.369 20 30 EIEDHM C=C(C)C[C@@H](C)C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000767700760 1045605187 /nfs/dbraw/zinc/60/51/87/1045605187.db2.gz IEHJOMHSLPWQHK-MWLCHTKSSA-N -1 3 334.441 4.220 20 30 EIEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(OC2CCCC2)c1 ZINC000066620405 1045729198 /nfs/dbraw/zinc/72/91/98/1045729198.db2.gz TZWGECVRGSVYBY-UHFFFAOYSA-N -1 3 338.367 4.022 20 30 EIEDHM C=CCN(Cc1cccs1)Cc1cccc(Br)c1[O-] ZINC000768199087 1045738698 /nfs/dbraw/zinc/73/86/98/1045738698.db2.gz YOCFJQRDVXNRQN-UHFFFAOYSA-N -1 3 338.270 4.404 20 30 EIEDHM COc1cc(CN=Nc2nccc3sccc32)cc(Cl)c1[O-] ZINC000915978882 1045851941 /nfs/dbraw/zinc/85/19/41/1045851941.db2.gz GJEZOVPELRANGQ-UHFFFAOYSA-N -1 3 333.800 4.110 20 30 EIEDHM COc1cc([C@H](C)/N=C\c2cc(Cl)ccc2[O-])cc(OC)c1OC ZINC000915979680 1045851949 /nfs/dbraw/zinc/85/19/49/1045851949.db2.gz RRMWHGQUFROKEL-ASKIBSTCSA-N -1 3 349.814 4.252 20 30 EIEDHM COc1cc(C(=O)/C=C\c2ccc(OC)c3ccccc23)ccc1[O-] ZINC000915983828 1045856746 /nfs/dbraw/zinc/85/67/46/1045856746.db2.gz BDEBUIFPZYLUFX-YFHOEESVSA-N -1 3 334.371 4.459 20 30 EIEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1c([O-])cccc1Cl ZINC000769549758 1046017189 /nfs/dbraw/zinc/01/71/89/1046017189.db2.gz VNHZLBWWYKJTSW-CRAIPNDOSA-N -1 3 326.827 4.317 20 30 EIEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000769549735 1046017899 /nfs/dbraw/zinc/01/78/99/1046017899.db2.gz UUYAHSRMXKQWGK-QZTJIDSGSA-N -1 3 326.827 4.317 20 30 EIEDHM N#CC(=C([O-])c1coc(Br)c1)c1ccc2ccccc2n1 ZINC000916848744 1046374071 /nfs/dbraw/zinc/37/40/71/1046374071.db2.gz PIKPNMLNJLSJJF-GFCCVEGCSA-N -1 3 341.164 4.080 20 30 EIEDHM Cc1ccc(N(CCC#N)C(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000786843211 1046878908 /nfs/dbraw/zinc/87/89/08/1046878908.db2.gz GCUREGGQRQLQIJ-UHFFFAOYSA-N -1 3 340.398 4.109 20 30 EIEDHM CCOc1ccc(N=Cc2cc(Br)ccc2[O-])cc1F ZINC000917558744 1046969945 /nfs/dbraw/zinc/96/99/45/1046969945.db2.gz XBIBLUVZWLTNKW-UHFFFAOYSA-N -1 3 338.176 4.443 20 30 EIEDHM COc1cc(/C=C/C(=O)c2ccc(C#N)cc2Cl)cc(Cl)c1[O-] ZINC000788359307 1047174976 /nfs/dbraw/zinc/17/49/76/1047174976.db2.gz AUZFFBWORCZLBY-HWKANZROSA-N -1 3 348.185 4.475 20 30 EIEDHM CCOc1cc(/C=C2/Cc3ccc(OC)cc3C2=O)cc(Cl)c1[O-] ZINC000747441036 1047565425 /nfs/dbraw/zinc/56/54/25/1047565425.db2.gz QQMPSZIPDUIPIA-MLPAPPSSSA-N -1 3 344.794 4.275 20 30 EIEDHM Cc1cccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1[O-] ZINC000108239738 1047795811 /nfs/dbraw/zinc/79/58/11/1047795811.db2.gz DZHRMIPYGUWZCU-LBPRGKRZSA-N -1 3 326.421 4.205 20 30 EIEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000815109794 1048350322 /nfs/dbraw/zinc/35/03/22/1048350322.db2.gz MQKLHNDCWHZPJA-JTQLQIEISA-N -1 3 337.288 4.016 20 30 EIEDHM COc1cc(/C=C2/COc3c(C)cccc3C2=O)cc(Cl)c1[O-] ZINC000920067367 1048413935 /nfs/dbraw/zinc/41/39/35/1048413935.db2.gz WXZFCEABTLWNAK-SDQBBNPISA-N -1 3 330.767 4.021 20 30 EIEDHM COc1cc(C(=O)/C=C/c2ccc3c(c2)CCC(C)(C)O3)ccc1[O-] ZINC000920243363 1048613681 /nfs/dbraw/zinc/61/36/81/1048613681.db2.gz IRVLHKGZHOWPCG-QPJJXVBHSA-N -1 3 338.403 4.401 20 30 EIEDHM CC(C)(C)C=CC(=O)C(C#N)=C([O-])c1sccc1Br ZINC000845846639 1048738066 /nfs/dbraw/zinc/73/80/66/1048738066.db2.gz IPMGXXQHGQBNOA-OTQAPUNGSA-N -1 3 340.242 4.004 20 30 EIEDHM CC(C)(C)C=CC([O-])=C(C#N)C(=O)c1sccc1Br ZINC000845846639 1048738078 /nfs/dbraw/zinc/73/80/78/1048738078.db2.gz IPMGXXQHGQBNOA-OTQAPUNGSA-N -1 3 340.242 4.004 20 30 EIEDHM CCCCCCCC[C@@H](C)C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000824149911 1049901906 /nfs/dbraw/zinc/90/19/06/1049901906.db2.gz CFAFWGRIYMKZBU-CQSZACIVSA-N -1 3 335.492 4.229 20 30 EIEDHM CCC(CC)(C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000075194826 1050509275 /nfs/dbraw/zinc/50/92/75/1050509275.db2.gz YVBGRDNMTBLMSO-UHFFFAOYSA-N -1 3 326.322 4.170 20 30 EIEDHM CCC(CC)(C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000075194826 1050509290 /nfs/dbraw/zinc/50/92/90/1050509290.db2.gz YVBGRDNMTBLMSO-UHFFFAOYSA-N -1 3 326.322 4.170 20 30 EIEDHM CCCCCCCCS(=O)(=O)[N-]c1csc2cnccc12 ZINC001187994623 1050668268 /nfs/dbraw/zinc/66/82/68/1050668268.db2.gz PIICBAVHFWLGJF-UHFFFAOYSA-N -1 3 326.487 4.399 20 30 EIEDHM Cc1ccc([O-])c(NC(=O)c2ccc(-c3ccc(C#N)c(F)c3)cc2)n1 ZINC001188696168 1050825415 /nfs/dbraw/zinc/82/54/15/1050825415.db2.gz GOZQLSDSERPZPB-UHFFFAOYSA-N -1 3 347.349 4.026 20 30 EIEDHM C=CCC1(S(=O)(=O)[N-]c2c(F)cccc2OC(CC)CC)CC1 ZINC001190815250 1051281207 /nfs/dbraw/zinc/28/12/07/1051281207.db2.gz HJJLXTWJPZIBFZ-UHFFFAOYSA-N -1 3 341.448 4.244 20 30 EIEDHM N#Cc1cc(NC(=O)C2c3ccccc3-c3ccccc32)ccc1[O-] ZINC001181914335 1051351364 /nfs/dbraw/zinc/35/13/64/1051351364.db2.gz FZDWIQFYSWRURF-UHFFFAOYSA-N -1 3 326.355 4.015 20 30 EIEDHM N#Cc1cnoc1[N-]c1c(F)cc(OCc2ccccc2)cc1F ZINC001175147828 1051414939 /nfs/dbraw/zinc/41/49/39/1051414939.db2.gz ZUFYAEUULGMRQH-UHFFFAOYSA-N -1 3 327.290 4.147 20 30 EIEDHM N#Cc1cc(Br)cc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268745 1051504137 /nfs/dbraw/zinc/50/41/37/1051504137.db2.gz SFUFCVPEXUHVPA-UHFFFAOYSA-N -1 3 325.112 4.048 20 30 EIEDHM C=CCCCCN1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001175483995 1051612376 /nfs/dbraw/zinc/61/23/76/1051612376.db2.gz GSNUGQJTDUEBOB-CQSZACIVSA-N -1 3 340.389 4.015 20 30 EIEDHM CCCCCCC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001192830013 1051815458 /nfs/dbraw/zinc/81/54/58/1051815458.db2.gz SMRRQECNVKJCSQ-UHFFFAOYSA-N -1 3 338.498 4.059 20 30 EIEDHM CC(C)Cc1ncc(C(=O)N([O-])CCCCc2ccccc2)s1 ZINC001184305239 1051982493 /nfs/dbraw/zinc/98/24/93/1051982493.db2.gz ATNQOJSFYXXIHK-UHFFFAOYSA-N -1 3 332.469 4.196 20 30 EIEDHM COc1cccc(C(=O)N([O-])Cc2ccccc2Cl)c1OC(C)C ZINC001184283465 1051988508 /nfs/dbraw/zinc/98/85/08/1051988508.db2.gz LCEDECNKYUMTGN-UHFFFAOYSA-N -1 3 349.814 4.167 20 30 EIEDHM O=C(c1ncoc1-c1ccccc1)N([O-])CCCCc1ccccc1 ZINC001184293306 1051990296 /nfs/dbraw/zinc/99/02/96/1051990296.db2.gz NNMHGTZJHQCAPX-UHFFFAOYSA-N -1 3 336.391 4.196 20 30 EIEDHM O=C(Cc1coc2cc(F)ccc12)N([O-])CCCCc1ccccc1 ZINC001184293497 1051990730 /nfs/dbraw/zinc/99/07/30/1051990730.db2.gz VXGIIQGSDMSZLH-UHFFFAOYSA-N -1 3 341.382 4.355 20 30 EIEDHM N#Cc1ccc([O-])c(Nc2cccc3c2cnn3[C@@H]2CCCCO2)c1 ZINC001176318336 1052023358 /nfs/dbraw/zinc/02/33/58/1052023358.db2.gz WUQDMWSKDUYJGH-IBGZPJMESA-N -1 3 334.379 4.056 20 30 EIEDHM CC(C)Oc1ccc(C(=O)[N-]c2c(C#N)oc3ccccc32)c(F)c1 ZINC001195773612 1053476826 /nfs/dbraw/zinc/47/68/26/1053476826.db2.gz CAOLCAMXATUPMG-UHFFFAOYSA-N -1 3 338.338 4.483 20 30 EIEDHM N#Cc1ccc2c(c1)CC[C@H]2/N=C\c1cc(Br)ccc1[O-] ZINC000775739658 1053745874 /nfs/dbraw/zinc/74/58/74/1053745874.db2.gz IPKUWMROCANDED-HSGPEQJXSA-N -1 3 341.208 4.133 20 30 EIEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cccc(Br)c1 ZINC000794925782 1053754124 /nfs/dbraw/zinc/75/41/24/1053754124.db2.gz 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C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001212483567 1043469773 /nfs/dbraw/zinc/46/97/73/1043469773.db2.gz WYGMWBKYARAJNQ-RYUDHWBXSA-N -1 3 333.906 4.123 20 30 EIEDHM Cc1nc2cc(N=Cc3cc(Br)ccc3[O-])ccc2o1 ZINC000730547099 1043553659 /nfs/dbraw/zinc/55/36/59/1043553659.db2.gz NUTWHVDMENNAJT-UHFFFAOYSA-N -1 3 331.169 4.355 20 30 EIEDHM Cc1ccc(COc2cccc(N=Cc3ccc(O)c([O-])c3O)c2)cc1 ZINC000731937763 1043851672 /nfs/dbraw/zinc/85/16/72/1043851672.db2.gz NFQOFJJMTAQUAF-UHFFFAOYSA-N -1 3 349.386 4.441 20 30 EIEDHM Cc1ccccc1COc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000732621350 1043972278 /nfs/dbraw/zinc/97/22/78/1043972278.db2.gz GXDLPYCZZGMJJL-UHFFFAOYSA-N -1 3 349.386 4.441 20 30 EIEDHM COC(=O)CCCOc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000732713378 1043983480 /nfs/dbraw/zinc/98/34/80/1043983480.db2.gz AZZDVHQVGLJUML-UHFFFAOYSA-N -1 3 347.798 4.128 20 30 EIEDHM CCCCCCCCCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000914469377 1044092088 /nfs/dbraw/zinc/09/20/88/1044092088.db2.gz 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1045972330 /nfs/dbraw/zinc/97/23/30/1045972330.db2.gz ZEIIICBHKHGYLV-UHFFFAOYSA-N -1 3 341.155 4.269 20 30 EIEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1c([O-])cccc1Cl ZINC000769549761 1046014924 /nfs/dbraw/zinc/01/49/24/1046014924.db2.gz VNHZLBWWYKJTSW-YJBOKZPZSA-N -1 3 326.827 4.317 20 30 EIEDHM [O-]c1ccc(Br)cc1C=Nc1cccc2ncccc12 ZINC000916658751 1046170580 /nfs/dbraw/zinc/17/05/80/1046170580.db2.gz AAQDWLOCOOUHSB-UHFFFAOYSA-N -1 3 327.181 4.454 20 30 EIEDHM CCO[C@H](C/N=C/c1cc(Br)ccc1[O-])c1ccccc1 ZINC000772156172 1046584343 /nfs/dbraw/zinc/58/43/43/1046584343.db2.gz WQPDAZMHOKGLAU-HDZGYNCQSA-N -1 3 348.240 4.351 20 30 EIEDHM COc1ccc2cc([C@H](C)C(=O)Nc3ccc([O-])c(C#N)c3)ccc2c1 ZINC001143743993 1048181964 /nfs/dbraw/zinc/18/19/64/1048181964.db2.gz GKNDYXSBEJAXMJ-ZDUSSCGKSA-N -1 3 346.386 4.168 20 30 EIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(-n2cccn2)cc1 ZINC000844151651 1048202675 /nfs/dbraw/zinc/20/26/75/1048202675.db2.gz AXDUOXFFLLAYAD-PKVLTRFUSA-N -1 3 334.350 4.100 20 30 EIEDHM COc1ccc2c(c1F)C/C(=C/c1cc(Cl)c([O-])c(OC)c1)C2=O ZINC000809156911 1048241264 /nfs/dbraw/zinc/24/12/64/1048241264.db2.gz OYJFGPWZMFXCBQ-YHYXMXQVSA-N -1 3 348.757 4.024 20 30 EIEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1c([O-])cccc1Cl ZINC000809705475 1048488935 /nfs/dbraw/zinc/48/89/35/1048488935.db2.gz UIMOYMXNFXZSIE-UHFFFAOYSA-N -1 3 333.863 4.401 20 30 EIEDHM C=CCC(F)(F)C(=O)[N-]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000815709161 1048589080 /nfs/dbraw/zinc/58/90/80/1048589080.db2.gz SSBYLQXZLYJMOI-UHFFFAOYSA-N -1 3 333.300 4.412 20 30 EIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])C(F)=CC3CCCCC3)nc21 ZINC000815954566 1048655507 /nfs/dbraw/zinc/65/55/07/1048655507.db2.gz FTIWHQLZFCNHFU-QTNMRXCUSA-N -1 3 325.387 4.481 20 30 EIEDHM C[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000920941683 1048816155 /nfs/dbraw/zinc/81/61/55/1048816155.db2.gz LINGFZBCZAAGDM-LNOXHEFASA-N -1 3 342.826 4.353 20 30 EIEDHM C=C[C@](C)(CCOC)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810705844 1048855105 /nfs/dbraw/zinc/85/51/05/1048855105.db2.gz HIFANHHPAHWUPN-OAHLLOKOSA-N -1 3 327.833 4.268 20 30 EIEDHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000846943576 1048956265 /nfs/dbraw/zinc/95/62/65/1048956265.db2.gz ZMAWUEXNZCOJPH-QGZVFWFLSA-N -1 3 338.398 4.010 20 30 EIEDHM COc1cc(C(=O)/C=C/C=C\c2ccc(F)cc2)c(OC)cc1[O-] ZINC000747694172 1049022255 /nfs/dbraw/zinc/02/22/55/1049022255.db2.gz UCJBQLIHUBAHRD-CIIODKQPSA-N -1 3 328.339 4.001 20 30 EIEDHM N#Cc1cccc(COC(=O)c2cc3cc(Cl)sc3[n-]2)c1F ZINC000811394049 1049050637 /nfs/dbraw/zinc/05/06/37/1049050637.db2.gz JEOGYBZJBXQSEX-UHFFFAOYSA-N -1 3 334.759 4.251 20 30 EIEDHM N#CCOc1ccc(COC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000811393522 1049050942 /nfs/dbraw/zinc/05/09/42/1049050942.db2.gz LPMZBJKGVIEGMW-UHFFFAOYSA-N -1 3 346.795 4.142 20 30 EIEDHM Cc1cccc([O-])c1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001147391257 1049145334 /nfs/dbraw/zinc/14/53/34/1049145334.db2.gz WBMGHDXOIOKBIZ-UHFFFAOYSA-N -1 3 348.427 4.231 20 30 EIEDHM Cc1nc(C#N)c([N-]C(=O)c2sc3cc(F)ccc3c2Cl)o1 ZINC001147984817 1049254256 /nfs/dbraw/zinc/25/42/56/1049254256.db2.gz WBNVOZSHSJTCKT-UHFFFAOYSA-N -1 3 335.747 4.114 20 30 EIEDHM CCCCCCCC[C@H](CC)n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001172504958 1049924084 /nfs/dbraw/zinc/92/40/84/1049924084.db2.gz JVWHFWBZLLDGRS-NSHDSACASA-N -1 3 338.477 4.085 20 30 EIEDHM CCCCCCCCS(=O)(=O)[N-]c1cc(F)c(F)c(F)c1F ZINC001188013001 1050677638 /nfs/dbraw/zinc/67/76/38/1050677638.db2.gz NGMDJKJDRCBGQM-UHFFFAOYSA-N -1 3 341.370 4.345 20 30 EIEDHM Cc1noc([N-]C(=O)Nc2ccc(OCc3ccccc3)cc2)c1C#N ZINC001189139539 1050915258 /nfs/dbraw/zinc/91/52/58/1050915258.db2.gz VBYDQNKBMJTUIT-UHFFFAOYSA-N -1 3 348.362 4.078 20 30 EIEDHM C#CCN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCc2ccccc21 ZINC001180295938 1050959758 /nfs/dbraw/zinc/95/97/58/1050959758.db2.gz COHGKBDTNMOOAN-SFHVURJKSA-N -1 3 329.802 4.307 20 30 EIEDHM C=CCN(C(=O)c1cccc(OC(F)(F)F)c1[O-])C1CCCCC1 ZINC001189762256 1051057845 /nfs/dbraw/zinc/05/78/45/1051057845.db2.gz GSDGATUFAKBFGT-UHFFFAOYSA-N -1 3 343.345 4.252 20 30 EIEDHM [O-]c1c(O)ccc(C=Nc2cc(Cl)cc(C(F)(F)F)c2)c1O ZINC000773905313 1051169768 /nfs/dbraw/zinc/16/97/68/1051169768.db2.gz GVKMRQUPPZVLGR-UHFFFAOYSA-N -1 3 331.677 4.226 20 30 EIEDHM N#Cc1cnn(-c2cccc(Cl)c2)c1Nc1c(F)cc([O-])cc1F ZINC001175098879 1051344492 /nfs/dbraw/zinc/34/44/92/1051344492.db2.gz RHTZIVIINOPYKY-UHFFFAOYSA-N -1 3 346.724 4.125 20 30 EIEDHM CCCCCCCNC(=O)Nc1ccc([O-])c(Br)c1 ZINC001191104826 1051353039 /nfs/dbraw/zinc/35/30/39/1051353039.db2.gz UPHSQUNFFDJWAZ-UHFFFAOYSA-N -1 3 329.238 4.247 20 30 EIEDHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C#N)cc2)cc1 ZINC001191248521 1051411070 /nfs/dbraw/zinc/41/10/70/1051411070.db2.gz FCJJMHKTRQBEKO-HNNXBMFYSA-N -1 3 342.464 4.457 20 30 EIEDHM N#Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)c(F)c2)ccc1[O-] ZINC001182689366 1051674438 /nfs/dbraw/zinc/67/44/38/1051674438.db2.gz QYEVQBMRSCNMGL-UHFFFAOYSA-N -1 3 346.361 4.251 20 30 EIEDHM C[C@@H](C(=O)Nc1ccc([O-])c(C#N)c1)c1ccc(F)c2ccccc21 ZINC001183506698 1051858253 /nfs/dbraw/zinc/85/82/53/1051858253.db2.gz URJPLIUGUANSJY-GFCCVEGCSA-N -1 3 334.350 4.298 20 30 EIEDHM N#Cc1ccc(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)cc1 ZINC001184045852 1051945110 /nfs/dbraw/zinc/94/51/10/1051945110.db2.gz RUPSXBYMRFKGDY-UHFFFAOYSA-N -1 3 344.817 4.436 20 30 EIEDHM O=C(c1ccnc(C2CC2)c1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184236308 1051976918 /nfs/dbraw/zinc/97/69/18/1051976918.db2.gz WSLFUSZLRRDKKF-UHFFFAOYSA-N -1 3 337.206 4.297 20 30 EIEDHM CC(=O)c1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cs1 ZINC001184235354 1051977109 /nfs/dbraw/zinc/97/71/09/1051977109.db2.gz JNSKIYDKCFJADU-UHFFFAOYSA-N -1 3 344.219 4.289 20 30 EIEDHM O=C(Cc1cccc(F)c1F)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184235717 1051977357 /nfs/dbraw/zinc/97/73/57/1051977357.db2.gz NHDVOWSTQAQXHX-UHFFFAOYSA-N -1 3 346.160 4.232 20 30 EIEDHM Cc1cc(C)c(CC(=O)N([O-])CCCCc2ccccc2)c(C)c1 ZINC001184293141 1051989510 /nfs/dbraw/zinc/98/95/10/1051989510.db2.gz GTGWSOKHRLDDGI-UHFFFAOYSA-N -1 3 325.452 4.395 20 30 EIEDHM N#Cc1cc2cccnc2nc1[N-]C(=O)c1cc(Cl)c(Cl)s1 ZINC001195170106 1053316434 /nfs/dbraw/zinc/31/64/34/1053316434.db2.gz WODPJFNFKFWONV-UHFFFAOYSA-N -1 3 349.202 4.122 20 30 EIEDHM COc1cc(C(=O)/C=C/C=C/c2ccc(F)c(F)c2)c(OC)cc1[O-] ZINC000794702140 1053322382 /nfs/dbraw/zinc/32/23/82/1053322382.db2.gz NBWZDEFJIXMOAE-GGWOSOGESA-N -1 3 346.329 4.140 20 30 EIEDHM COc1cc(C(=O)/C=C\c2ccc(C(C)C)c([N+](=O)[O-])c2)ccc1[O-] ZINC000205667999 1053597631 /nfs/dbraw/zinc/59/76/31/1053597631.db2.gz LROZSRZTCLFGKZ-YVMONPNESA-N -1 3 341.363 4.329 20 30 EIEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cccc(OC(F)F)c1 ZINC000794933373 1053793054 /nfs/dbraw/zinc/79/30/54/1053793054.db2.gz ILXZVAOMMLAOLE-GQCTYLIASA-N -1 3 326.245 4.168 20 30 EIEDHM COc1cccc2cc(C(=O)/C=C/c3c(F)ccc([O-])c3F)oc21 ZINC000794938170 1053799665 /nfs/dbraw/zinc/79/96/65/1053799665.db2.gz LGUYVXOWPFDBIS-FNORWQNLSA-N -1 3 330.286 4.321 20 30 EIEDHM N#Cc1ccc([O-])c(Nc2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC001201315255 1054752576 /nfs/dbraw/zinc/75/25/76/1054752576.db2.gz UWMRCEZKBNBDGE-UHFFFAOYSA-N -1 3 329.359 4.260 20 30 EIEDHM S=c1[n-]c2ccccc2nc1N=NC1CCCC12CCOCC2 ZINC000863124836 1055149474 /nfs/dbraw/zinc/14/94/74/1055149474.db2.gz FNKJWIUONPOGQD-UHFFFAOYSA-N -1 3 328.441 4.041 20 30 EIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccsc2)cc1 ZINC000131515261 1055243418 /nfs/dbraw/zinc/24/34/18/1055243418.db2.gz VHTDPRUNJNBNJT-BLLLJJGKSA-N -1 3 326.421 4.223 20 30 EIEDHM Cc1ncc(CO)c(/C=N\[C@@H](CC(C)C)c2ccc(Cl)cc2)c1[O-] ZINC000741466420 1058222373 /nfs/dbraw/zinc/22/23/73/1058222373.db2.gz QLWJNNULYOUMAD-NLIBPXKJSA-N -1 3 346.858 4.448 20 30 EIEDHM CCOc1cc(C=NNc2cccc(F)c2F)cc(Cl)c1[O-] ZINC000743441262 1059009098 /nfs/dbraw/zinc/00/90/98/1059009098.db2.gz FPOAELKJWFKVAA-UHFFFAOYSA-N -1 3 326.730 4.169 20 30 EIEDHM C[C@@H](/N=C/c1cc(Br)ccc1[O-])c1cccc(C#N)c1 ZINC000743501006 1059027059 /nfs/dbraw/zinc/02/70/59/1059027059.db2.gz BBDADOXUDHSSTE-VURRPDKYSA-N -1 3 329.197 4.206 20 30 EIEDHM [O-]c1ccc(Br)cc1/C=N/Cc1cccc2cccnc21 ZINC000745012833 1059689841 /nfs/dbraw/zinc/68/98/41/1059689841.db2.gz OPDZLSOSTBVFLS-YBFXNURJSA-N -1 3 341.208 4.322 20 30 EIEDHM COc1cc(/C=C2\CCOc3ccccc3C2=O)cc(Cl)c1[O-] ZINC000102971208 1060421623 /nfs/dbraw/zinc/42/16/23/1060421623.db2.gz XBVBQXCDHJPZKR-XYOKQWHBSA-N -1 3 330.767 4.103 20 30 EIEDHM COc1cc(C(=O)/C=C\c2coc(-c3ccc(C)cc3)n2)ccc1[O-] ZINC000255116803 1020986442 /nfs/dbraw/zinc/98/64/42/1020986442.db2.gz AUVYYYMDVONKRS-NTMALXAHSA-N -1 3 335.359 4.260 20 30 EIEDHM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3cnc(C4CC4)o3)sc21 ZINC000891172945 1021454470 /nfs/dbraw/zinc/45/44/70/1021454470.db2.gz KACUYNJQVLUIAS-VHSXEESVSA-N -1 3 341.436 4.423 20 30 EIEDHM C=CC[C@@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccccc1 ZINC000580690641 1022381611 /nfs/dbraw/zinc/38/16/11/1022381611.db2.gz DWSPTJQYHNESAN-CQSZACIVSA-N -1 3 346.224 4.453 20 30 EIEDHM CC(C)c1csc(C(C#N)=C([O-])c2cccc(N3CCCC3)c2)n1 ZINC000659115231 1022845436 /nfs/dbraw/zinc/84/54/36/1022845436.db2.gz SWCHSCWSQJCYOU-MRXNPFEDSA-N -1 3 339.464 4.357 20 30 EIEDHM CCOC(=O)N(C)c1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000255296396 1023058113 /nfs/dbraw/zinc/05/81/13/1023058113.db2.gz SCFLUWCHELWODN-UHFFFAOYSA-N -1 3 332.787 4.389 20 30 EIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(C(C)(C)C)s1 ZINC000121304326 1023091738 /nfs/dbraw/zinc/09/17/38/1023091738.db2.gz HEYSXMMUPPGCSY-GFCCVEGCSA-N -1 3 337.448 4.422 20 30 EIEDHM C=CC[C@H]1CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000656760380 1023501724 /nfs/dbraw/zinc/50/17/24/1023501724.db2.gz SQSKUKVXSXIDTK-XHDPSFHLSA-N -1 3 328.239 4.407 20 30 EIEDHM O=C(CCC(F)F)[N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000684472739 1023882237 /nfs/dbraw/zinc/88/22/37/1023882237.db2.gz DZFYEJVKSYLCPF-LLVKDONJSA-N -1 3 349.221 4.470 20 30 EIEDHM O=C(Nc1cccc([O-])c1F)c1ccc(C#Cc2ccccc2)cc1 ZINC000535658160 1024394987 /nfs/dbraw/zinc/39/49/87/1024394987.db2.gz MPRXZTHGHSCKKS-UHFFFAOYSA-N -1 3 331.346 4.183 20 30 EIEDHM CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccc([O-])c(F)c1 ZINC000728429767 1025368100 /nfs/dbraw/zinc/36/81/00/1025368100.db2.gz OXWUANULTDWVEC-UHFFFAOYSA-N -1 3 342.292 4.309 20 30 EIEDHM C[C@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)c2c([O-])cccc21 ZINC000548635003 1025873529 /nfs/dbraw/zinc/87/35/29/1025873529.db2.gz CUSASLLNTPGHRO-NSHDSACASA-N -1 3 326.783 4.071 20 30 EIEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC001299760314 1026883069 /nfs/dbraw/zinc/88/30/69/1026883069.db2.gz XNJZQJGKHWDYFM-GFCCVEGCSA-N -1 3 336.416 4.312 20 30 EIEDHM N#CCSCCCSc1nnc([N-]c2ccccc2F)s1 ZINC000075075484 1027540306 /nfs/dbraw/zinc/54/03/06/1027540306.db2.gz PMCLFGUZNAWGIU-UHFFFAOYSA-N -1 3 340.474 4.160 20 30 EIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C2CCC2)cc1 ZINC000278358958 1028988864 /nfs/dbraw/zinc/98/88/64/1028988864.db2.gz IQBYCQUEGPPISH-UHFFFAOYSA-N -1 3 349.434 4.115 20 30 EIEDHM CC(C)(C)c1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1ccccn1 ZINC000151175826 1029279523 /nfs/dbraw/zinc/27/95/23/1029279523.db2.gz XIJCNJNVBVXIIF-INIZCTEOSA-N -1 3 344.418 4.055 20 30 EIEDHM O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc([O-])c2ccccc2c1 ZINC000329549959 1029350405 /nfs/dbraw/zinc/35/04/05/1029350405.db2.gz FIPZFFCSKDBTHX-QXAKKESOSA-N -1 3 337.419 4.198 20 30 EIEDHM CC(C)(C)c1cc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)no1 ZINC000091208247 1029887534 /nfs/dbraw/zinc/88/75/34/1029887534.db2.gz RXPZAJLJRYQSQI-UHFFFAOYSA-N -1 3 331.441 4.455 20 30 EIEDHM C[C@H]1CN(c2ccc(N=Cc3cc(Cl)ccc3[O-])cc2)CCO1 ZINC000255613196 1030558900 /nfs/dbraw/zinc/55/89/00/1030558900.db2.gz BPJSBEZXSSCEBB-ZDUSSCGKSA-N -1 3 330.815 4.021 20 30 EIEDHM CC1(C)Cc2cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)ccc2O1 ZINC000647380313 1030913281 /nfs/dbraw/zinc/91/32/81/1030913281.db2.gz BQEMRLQMMJVSTJ-AWEZNQCLSA-N -1 3 338.432 4.224 20 30 EIEDHM CC(C)c1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccc(F)cc1 ZINC000041481257 1031493202 /nfs/dbraw/zinc/49/32/02/1031493202.db2.gz OPFUSSNKUNAGDC-MRXNPFEDSA-N -1 3 348.381 4.020 20 30 EIEDHM CC1(C)CCc2sc([N-]C(=O)c3c(F)cccc3F)c(C#N)c21 ZINC000906259150 1036189041 /nfs/dbraw/zinc/18/90/41/1036189041.db2.gz CZTYJFLFIQTHSH-UHFFFAOYSA-N -1 3 332.375 4.374 20 30 EIEDHM N#CC1(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CCCCC1 ZINC000598699494 1036749824 /nfs/dbraw/zinc/74/98/24/1036749824.db2.gz JPEKGRWBEHPFHT-UHFFFAOYSA-N -1 3 349.394 4.021 20 30 EIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc4cccc(C)c4o3)nc21 ZINC000605363402 1037769852 /nfs/dbraw/zinc/76/98/52/1037769852.db2.gz XRUHSSMJOFWFPD-CQSZACIVSA-N -1 3 329.359 4.416 20 30 EIEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C(C)(C)C#N)cc2)CC)n1 ZINC000594540363 1038366735 /nfs/dbraw/zinc/36/67/35/1038366735.db2.gz MNKXLJIAFLZICR-FOWTUZBSSA-N -1 3 335.451 4.474 20 30 EIEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)oc1C ZINC000128737019 1040518505 /nfs/dbraw/zinc/51/85/05/1040518505.db2.gz LSJUKAKSPJQICA-INIZCTEOSA-N -1 3 332.359 4.011 20 30 EIEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(-c2ccccc2F)o1 ZINC000127963070 1040698315 /nfs/dbraw/zinc/69/83/15/1040698315.db2.gz SUXHHPGUMFMGEY-HNNXBMFYSA-N -1 3 348.333 4.047 20 30 EIEDHM O=C(CCCC(F)(F)F)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000505450732 1040949796 /nfs/dbraw/zinc/94/97/96/1040949796.db2.gz HQYWDTADGSHEAA-LLVKDONJSA-N -1 3 349.221 4.417 20 30 EIEDHM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc(C)c1F ZINC000464413065 1041989485 /nfs/dbraw/zinc/98/94/85/1041989485.db2.gz YBICTDOXAZBJMD-CYBMUJFWSA-N -1 3 336.288 4.346 20 30 EIEDHM CC(C)Oc1ccccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464421296 1042008424 /nfs/dbraw/zinc/00/84/24/1042008424.db2.gz PQLDKFBINLJYJV-AWEZNQCLSA-N -1 3 348.324 4.378 20 30 EIEDHM CC(=NNCc1ccc(C(F)(F)F)cc1)c1ccc([O-])cc1F ZINC000729933209 1043406597 /nfs/dbraw/zinc/40/65/97/1043406597.db2.gz UDWNIQLGGZWQMO-UHFFFAOYSA-N -1 3 326.293 4.064 20 30 EIEDHM COC(=O)CC[C@H](/N=C\c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000729936421 1043407096 /nfs/dbraw/zinc/40/70/96/1043407096.db2.gz BQHXRWUVJDPQSU-DEFALTHMSA-N -1 3 331.799 4.159 20 30 EIEDHM CCOc1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)ccc1O ZINC000730590670 1043566216 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CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)oc2C)cc1 ZINC000128586049 1025209721 /nfs/dbraw/zinc/20/97/21/1025209721.db2.gz CRZOIVUHHKTASJ-GOSISDBHSA-N -1 3 338.407 4.200 20 30 EIEDHM COc1cc(-c2ccccc2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000049458802 1026232179 /nfs/dbraw/zinc/23/21/79/1026232179.db2.gz RSAVUCPSBOOJER-CQSZACIVSA-N -1 3 334.400 4.309 20 30 EIEDHM COc1cc(-c2ccccc2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000049458800 1026233521 /nfs/dbraw/zinc/23/35/21/1026233521.db2.gz RSAVUCPSBOOJER-AWEZNQCLSA-N -1 3 334.400 4.309 20 30 EIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2c(s1)CCCCC2 ZINC000122243097 1026424126 /nfs/dbraw/zinc/42/41/26/1026424126.db2.gz JKFCWDXZKHXFCC-AWEZNQCLSA-N -1 3 349.459 4.394 20 30 EIEDHM N#Cc1ccc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000426754380 1026539778 /nfs/dbraw/zinc/53/97/78/1026539778.db2.gz PSQXQWWPVTVKQH-MRXNPFEDSA-N -1 3 349.217 4.171 20 30 EIEDHM COCCc1ccccc1N=Cc1cc(Br)ccc1[O-] ZINC000588554823 1027475792 /nfs/dbraw/zinc/47/57/92/1027475792.db2.gz 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CC(C)c1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c([O-])c1 ZINC000436579805 1041357952 /nfs/dbraw/zinc/35/79/52/1041357952.db2.gz ZFBSBMYZFGOGID-UXHICEINSA-N -1 3 348.446 4.428 20 30 EIEDHM CC(C)c1ccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000436662902 1041404700 /nfs/dbraw/zinc/40/47/00/1041404700.db2.gz DWBKRAZIQSLVKR-UHFFFAOYSA-N -1 3 346.430 4.317 20 30 EIEDHM CCc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c([O-])c1 ZINC000436823669 1041504167 /nfs/dbraw/zinc/50/41/67/1041504167.db2.gz WGSLIIQHCHGNML-CYBMUJFWSA-N -1 3 340.448 4.459 20 30 EIEDHM Cc1ccn(C)c1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000190663521 1042882481 /nfs/dbraw/zinc/88/24/81/1042882481.db2.gz BAFOMAKNVJIJBI-LLVKDONJSA-N -1 3 329.812 4.087 20 30 EIEDHM CCCCC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000727972866 1043339484 /nfs/dbraw/zinc/33/94/84/1043339484.db2.gz IKPZXXURQZXCGC-MEGCXXLRSA-N -1 3 326.440 4.328 20 30 EIEDHM N#Cc1cnn(-c2cccc(Cl)c2)c1Nc1cc(F)cc(F)c1[O-] ZINC001212481657 1043454744 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COc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)c(OC(F)F)c1 ZINC000734096307 1044474361 /nfs/dbraw/zinc/47/43/61/1044474361.db2.gz YOGDTHSLMQDNKW-XBXARRHUSA-N -1 3 334.318 4.207 20 30 EIEDHM [O-]c1c(O)ccc(C=Nc2ccc(OC3CCCCC3)cc2)c1O ZINC000734749763 1044662601 /nfs/dbraw/zinc/66/26/01/1044662601.db2.gz ONKHOVTWGGQTMW-UHFFFAOYSA-N -1 3 327.380 4.266 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000734752958 1044665493 /nfs/dbraw/zinc/66/54/93/1044665493.db2.gz MCAUHCILXNQJAQ-SJJOQSKNSA-N -1 3 332.806 4.273 20 30 EIEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CSc2ccccc21 ZINC000735414785 1044804526 /nfs/dbraw/zinc/80/45/26/1044804526.db2.gz LSCXSTWGMMTQGQ-KCXFFNSDSA-N -1 3 334.238 4.421 20 30 EIEDHM CC(C)O[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])C1(C)C ZINC000766010179 1045091671 /nfs/dbraw/zinc/09/16/71/1045091671.db2.gz QFKHSIJUJWNLSB-DFRVXPHVSA-N -1 3 340.261 4.166 20 30 EIEDHM CCCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccc(C)cc1 ZINC000429095987 1045143791 /nfs/dbraw/zinc/14/37/91/1045143791.db2.gz BWXWPAHZLMOZCA-QGZVFWFLSA-N -1 3 344.418 4.018 20 30 EIEDHM COc1cc(C(=O)/C=C\c2cnc(C3CCC3)s2)c(OC)cc1[O-] ZINC000763105412 1045502445 /nfs/dbraw/zinc/50/24/45/1045502445.db2.gz QJAILWFCZOOOTP-SREVYHEPSA-N -1 3 345.420 4.030 20 30 EIEDHM COc1cc(C(=O)/C=C\c2cccc(Cl)c2F)c(OC)cc1[O-] ZINC000763106662 1045503246 /nfs/dbraw/zinc/50/32/46/1045503246.db2.gz RAIFUPROZLSZOV-SREVYHEPSA-N -1 3 336.746 4.098 20 30 EIEDHM Cc1ccc(N(CCC#N)C(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000792100739 1045855881 /nfs/dbraw/zinc/85/58/81/1045855881.db2.gz HXSNTSAWGOBCJR-UHFFFAOYSA-N -1 3 330.387 4.414 20 30 EIEDHM CCOc1cc(C=NNc2cccc(C)c2)cc(Br)c1[O-] ZINC000916255257 1045966223 /nfs/dbraw/zinc/96/62/23/1045966223.db2.gz MUAIMYGSZYVOER-UHFFFAOYSA-N -1 3 349.228 4.308 20 30 EIEDHM Cc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cc1 ZINC000916368627 1046006835 /nfs/dbraw/zinc/00/68/35/1046006835.db2.gz KNOXYGHPLJWGGR-UHFFFAOYSA-N -1 3 340.477 4.050 20 30 EIEDHM Cc1ccc(N(CCC#N)C(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000769729358 1046055834 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[O-]c1ccc(Cl)cc1/C=N/C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806550609 1047300618 /nfs/dbraw/zinc/30/06/18/1047300618.db2.gz MOKWOOSDECCUGC-JURJYWISSA-N -1 3 343.732 4.217 20 30 EIEDHM Cc1cc2n[nH]cc2cc1N=Cc1cc(Br)ccc1[O-] ZINC000790098643 1047518500 /nfs/dbraw/zinc/51/85/00/1047518500.db2.gz JJPKHOWMZGDWFM-UHFFFAOYSA-N -1 3 330.185 4.090 20 30 EIEDHM C=CCC(F)(F)C(=O)[N-][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000815800377 1048605879 /nfs/dbraw/zinc/60/58/79/1048605879.db2.gz UOAWHBASNDFOSO-HNNXBMFYSA-N -1 3 336.769 4.152 20 30 EIEDHM COc1cc(C(=O)/C=C\c2ccc3c(c2)CCC(C)(C)O3)ccc1[O-] ZINC000920243359 1048612977 /nfs/dbraw/zinc/61/29/77/1048612977.db2.gz IRVLHKGZHOWPCG-DAXSKMNVSA-N -1 3 338.403 4.401 20 30 EIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])C(F)=CC3CCCCC3)nc21 ZINC000815954563 1048655189 /nfs/dbraw/zinc/65/51/89/1048655189.db2.gz FTIWHQLZFCNHFU-GWQWUEFDSA-N -1 3 325.387 4.481 20 30 EIEDHM CCOC(=O)C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000920833533 1048798442 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N#Cc1cc(Nc2c(F)ccc([O-])c2F)ccc1Br ZINC001175268373 1051502481 /nfs/dbraw/zinc/50/24/81/1051502481.db2.gz LOBVLIQIFPPGFH-UHFFFAOYSA-N -1 3 325.112 4.048 20 30 EIEDHM CC[C@@H]1C[C@@H](CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCO1 ZINC001184234753 1051976755 /nfs/dbraw/zinc/97/67/55/1051976755.db2.gz CHDBQCVYPSSNSO-XHDPSFHLSA-N -1 3 346.254 4.307 20 30 EIEDHM O=C(c1nsc2ccccc21)N([O-])CCCCc1ccccc1 ZINC001184305424 1051983065 /nfs/dbraw/zinc/98/30/65/1051983065.db2.gz JRWCSUANRDPXGP-UHFFFAOYSA-N -1 3 326.421 4.151 20 30 EIEDHM O=C(CCc1ccc(Cl)c(F)c1)N([O-])Cc1ccccc1Cl ZINC001184283764 1051987300 /nfs/dbraw/zinc/98/73/00/1051987300.db2.gz PLFHOZSXUZVXGY-UHFFFAOYSA-N -1 3 342.197 4.483 20 30 EIEDHM CCC(CC)n1nc(C(=O)N([O-])Cc2ccccc2Cl)cc1C ZINC001184283456 1051987796 /nfs/dbraw/zinc/98/77/96/1051987796.db2.gz KVRUIZLCUDMUNH-UHFFFAOYSA-N -1 3 335.835 4.238 20 30 EIEDHM O=C(Cc1ccc2cccnc2c1)N([O-])CCCCc1ccccc1 ZINC001184293326 1051989406 /nfs/dbraw/zinc/98/94/06/1051989406.db2.gz 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[O-]c1c(O)ccc(C=Nc2cccc(CCC(F)(F)F)c2)c1O ZINC000255297202 1023058233 /nfs/dbraw/zinc/05/82/33/1023058233.db2.gz GWUJFJTYRUUYJI-UHFFFAOYSA-N -1 3 325.286 4.049 20 30 EIEDHM C=CC[C@H]1CCCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000656759364 1023499894 /nfs/dbraw/zinc/49/98/94/1023499894.db2.gz DOVBUXAZPQYUNI-XHDPSFHLSA-N -1 3 328.239 4.407 20 30 EIEDHM O=C(CCC(F)F)[N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000684476774 1023890985 /nfs/dbraw/zinc/89/09/85/1023890985.db2.gz ZQPHLDIKGDPGNN-NSHDSACASA-N -1 3 349.221 4.470 20 30 EIEDHM N#Cc1cccc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000426750734 1026535077 /nfs/dbraw/zinc/53/50/77/1026535077.db2.gz PWGXKRWRTJEHLZ-MRXNPFEDSA-N -1 3 349.217 4.171 20 30 EIEDHM CC(C)CN(Cc1ccc(C#N)cc1)Cc1c(F)ccc([O-])c1F ZINC000507425043 1026789347 /nfs/dbraw/zinc/78/93/47/1026789347.db2.gz OWDKFHVBBMXRQH-UHFFFAOYSA-N -1 3 330.378 4.200 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1nnc(-c2ccccc2)s1 ZINC000255510839 1026793056 /nfs/dbraw/zinc/79/30/56/1026793056.db2.gz INPKINOZMQDRJI-NVMNQCDNSA-N -1 3 329.812 4.183 20 30 EIEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(-c2ccc(F)cc2)o1 ZINC000127967946 1026854574 /nfs/dbraw/zinc/85/45/74/1026854574.db2.gz APBYPRFORCHTKQ-MRXNPFEDSA-N -1 3 348.333 4.047 20 30 EIEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC001299760315 1026882514 /nfs/dbraw/zinc/88/25/14/1026882514.db2.gz XNJZQJGKHWDYFM-LBPRGKRZSA-N -1 3 336.416 4.312 20 30 EIEDHM C=CC[C@H]1N(C(=O)CCCc2ccc([O-])c(F)c2)CCCC1(C)C ZINC000444632539 1027910472 /nfs/dbraw/zinc/91/04/72/1027910472.db2.gz PJZFJPZHNPCKEI-GOSISDBHSA-N -1 3 333.447 4.447 20 30 EIEDHM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccn1C(C)C ZINC000346590707 1028519037 /nfs/dbraw/zinc/51/90/37/1028519037.db2.gz PICGQOKGVARPIG-AWEZNQCLSA-N -1 3 335.329 4.281 20 30 EIEDHM C=CCC[C@@H](CC)Oc1cccc([O-])c1I ZINC001227378477 1028906542 /nfs/dbraw/zinc/90/65/42/1028906542.db2.gz SJWZXJRPLAWOBJ-SNVBAGLBSA-N -1 3 332.181 4.120 20 30 EIEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)s1 ZINC000129748563 1029653728 /nfs/dbraw/zinc/65/37/28/1029653728.db2.gz BZEYNSXKXFPJAU-UHFFFAOYSA-N -1 3 341.367 4.229 20 30 EIEDHM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)n1C(C)C ZINC000190925665 1030591300 /nfs/dbraw/zinc/59/13/00/1030591300.db2.gz LHSNJZQVSOIFIX-MRXNPFEDSA-N -1 3 332.407 4.119 20 30 EIEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527456685 1030692854 /nfs/dbraw/zinc/69/28/54/1030692854.db2.gz JFPNKIFKBHAPGF-UHFFFAOYSA-N -1 3 344.414 4.469 20 30 EIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(C)c(Oc3ccncc3)c2)n1 ZINC000115901048 1030732269 /nfs/dbraw/zinc/73/22/69/1030732269.db2.gz GUGWUAWMVGWJEW-MRXNPFEDSA-N -1 3 349.415 4.437 20 30 EIEDHM N#CC(=C([O-])c1cc2c(s1)CCC2)c1ccc(C(F)(F)F)cn1 ZINC000123613263 1031473976 /nfs/dbraw/zinc/47/39/76/1031473976.db2.gz UGIBKWWEXCQYMH-NSHDSACASA-N -1 3 336.338 4.141 20 30 EIEDHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000502010610 1035806204 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CCOc1cc(/C=C\C(=O)c2ccnn2C2CCC2)cc(Cl)c1[O-] ZINC000899396311 1039081918 /nfs/dbraw/zinc/08/19/18/1039081918.db2.gz CKMUHLCDZHZJSN-SREVYHEPSA-N -1 3 346.814 4.262 20 30 EIEDHM C[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)Cc1ccc(Cl)cc1 ZINC000091171925 1039347972 /nfs/dbraw/zinc/34/79/72/1039347972.db2.gz JEFVLCLVSWCMPD-MRVPVSSYSA-N -1 3 346.740 4.334 20 30 EIEDHM C[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)Cc1ccc(Cl)cc1 ZINC000091171925 1039347983 /nfs/dbraw/zinc/34/79/83/1039347983.db2.gz JEFVLCLVSWCMPD-MRVPVSSYSA-N -1 3 346.740 4.334 20 30 EIEDHM CCc1c(C)sc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)c1C#N ZINC000089795509 1040376681 /nfs/dbraw/zinc/37/66/81/1040376681.db2.gz WXNUKKATXBABOV-GFCCVEGCSA-N -1 3 347.465 4.051 20 30 EIEDHM C=CCN(C(=O)c1cc([O-])ccc1Cl)c1nc2c(s1)CCCC2 ZINC000551650337 1040479424 /nfs/dbraw/zinc/47/94/24/1040479424.db2.gz GFNQFMOFBJLBMT-UHFFFAOYSA-N -1 3 348.855 4.214 20 30 EIEDHM N#CC(=C([O-])c1ccc2ccc(Cl)cc2n1)c1nc2ccccc2[nH]1 ZINC000083937565 1040483874 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COc1ccc([C@H](OC)[C@@H](C)/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000771518689 1046435423 /nfs/dbraw/zinc/43/54/23/1046435423.db2.gz AMBHCZHOYGGTGJ-DFNFECMASA-N -1 3 333.815 4.249 20 30 EIEDHM CCCc1nc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)co1 ZINC001129474950 1046490869 /nfs/dbraw/zinc/49/08/69/1046490869.db2.gz VGAQJPSVEGVGDY-GHMZBOCLSA-N -1 3 343.452 4.498 20 30 EIEDHM C=CCN(CCc1ccccc1)C(=O)c1cc2sccc2c([O-])c1 ZINC000788294415 1047149535 /nfs/dbraw/zinc/14/95/35/1047149535.db2.gz YAKDAVXMYRUZSR-UHFFFAOYSA-N -1 3 337.444 4.478 20 30 EIEDHM Cc1ccc(Nc2ccccc2C([O-])=C(C#N)c2ccncn2)cc1 ZINC000760339554 1047330964 /nfs/dbraw/zinc/33/09/64/1047330964.db2.gz KEBGOJKDUKFKDL-KRWDZBQOSA-N -1 3 328.375 4.019 20 30 EIEDHM Cc1c(COc2ccccc2)cccc1N=Cc1ccc(O)c([O-])c1O ZINC000746817175 1047421022 /nfs/dbraw/zinc/42/10/22/1047421022.db2.gz XUBPDHVOZAWQFH-UHFFFAOYSA-N -1 3 349.386 4.441 20 30 EIEDHM N#CC(=C([O-])c1ccc2c(c1)CCC=C2)c1cnc2ccccc2n1 ZINC000556560752 1047824689 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EIEDHM CC(C)(C)c1csc([N-]C(=O)c2cc(Cl)ncc2F)c1C#N ZINC000905777138 1035882443 /nfs/dbraw/zinc/88/24/43/1035882443.db2.gz FMBMWNUMZVOMNM-UHFFFAOYSA-N -1 3 337.807 4.357 20 30 EIEDHM CCc1nocc1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 ZINC000602345415 1036402976 /nfs/dbraw/zinc/40/29/76/1036402976.db2.gz ZYKAYEIXGSRJOA-UWVGGRQHSA-N -1 3 329.425 4.108 20 30 EIEDHM CCc1c(C)sc([N-]C(=O)c2cnc(-c3ccco3)s2)c1C#N ZINC000504905231 1038846035 /nfs/dbraw/zinc/84/60/35/1038846035.db2.gz FSLCQWWKFTUPEZ-UHFFFAOYSA-N -1 3 343.433 4.459 20 30 EIEDHM COc1c(C)cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1C ZINC000539145348 1038855334 /nfs/dbraw/zinc/85/53/34/1038855334.db2.gz ACMWLKYFWFONSC-AWEZNQCLSA-N -1 3 336.416 4.412 20 30 EIEDHM CCOc1cc(/C=C/C(=O)c2cnn(C3CCC3)c2)cc(Cl)c1[O-] ZINC000899406849 1039101734 /nfs/dbraw/zinc/10/17/34/1039101734.db2.gz NUDCVUMJEQSRFU-VOTSOKGWSA-N -1 3 346.814 4.262 20 30 EIEDHM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000481853727 1039861170 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Cc1noc(C)c1[C@H](C)CC(=O)N([O-])CCCCc1ccccc1 ZINC000904196857 1041382140 /nfs/dbraw/zinc/38/21/40/1041382140.db2.gz JBYHNRCCPVRUKT-CQSZACIVSA-N -1 3 330.428 4.026 20 30 EIEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1cc(Br)ccc1F ZINC001234144994 1042666220 /nfs/dbraw/zinc/66/62/20/1042666220.db2.gz YZMZDMIDIUPOTC-SECBINFHSA-N -1 3 336.160 4.305 20 30 EIEDHM CCSc1cccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c1 ZINC000493001724 1042791839 /nfs/dbraw/zinc/79/18/39/1042791839.db2.gz AWULORHWDWNJFL-OAHLLOKOSA-N -1 3 335.432 4.473 20 30 EIEDHM CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(F)cc1[O-] ZINC000727776729 1043285891 /nfs/dbraw/zinc/28/58/91/1043285891.db2.gz DBMTUZPLVVXWTH-UHFFFAOYSA-N -1 3 327.384 4.491 20 30 EIEDHM CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccc([O-])cc1F ZINC000729933362 1043406808 /nfs/dbraw/zinc/40/68/08/1043406808.db2.gz YSLURUKCMABSLF-UHFFFAOYSA-N -1 3 342.292 4.309 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000730146607 1043456890 /nfs/dbraw/zinc/45/68/90/1043456890.db2.gz 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348.805 4.155 20 30 EIEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc(C(C)(C)C)cc2)c1[O-] ZINC000915981168 1045853230 /nfs/dbraw/zinc/85/32/30/1045853230.db2.gz NHFFJCBQWGPRHP-MYSNOUKZSA-N -1 3 326.440 4.066 20 30 EIEDHM COc1cc(C(=O)/C=C/c2ccc(OC)c3ccccc23)ccc1[O-] ZINC000915983827 1045856404 /nfs/dbraw/zinc/85/64/04/1045856404.db2.gz BDEBUIFPZYLUFX-JXMROGBWSA-N -1 3 334.371 4.459 20 30 EIEDHM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1nccc2ccccc21 ZINC000792094151 1045862571 /nfs/dbraw/zinc/86/25/71/1045862571.db2.gz DCPZVJOWHMBJMQ-KJPDOMRESA-N -1 3 333.778 4.173 20 30 EIEDHM CCSc1cccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC000769746363 1046065245 /nfs/dbraw/zinc/06/52/45/1046065245.db2.gz GROCNCMMCOMNBH-HJWRWDBZSA-N -1 3 344.432 4.418 20 30 EIEDHM CC(N=Nc1cccc(Cl)n1)c1ccc(Br)cc1[O-] ZINC000793173656 1046163509 /nfs/dbraw/zinc/16/35/09/1046163509.db2.gz CFZGWKFAALJNLQ-UHFFFAOYSA-N -1 3 340.608 4.039 20 30 EIEDHM CCCc1nc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)co1 ZINC001129474952 1046489509 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C=CCC(F)(F)C(=O)[N-]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000815099318 1048343771 /nfs/dbraw/zinc/34/37/71/1048343771.db2.gz GLHLVEDIGKXSPX-UHFFFAOYSA-N -1 3 337.316 4.382 20 30 EIEDHM CN(CC/N=C/c1cc(Cl)cc(Cl)c1[O-])Cc1ccccc1 ZINC000920174074 1048572659 /nfs/dbraw/zinc/57/26/59/1048572659.db2.gz JULLTMCWZNQPGU-RGVLZGJSSA-N -1 3 337.250 4.250 20 30 EIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn2cc(Cl)ccc2n1 ZINC000920755241 1048773036 /nfs/dbraw/zinc/77/30/36/1048773036.db2.gz LCZVOXGCTJDNFJ-TXEUWIOXSA-N -1 3 342.757 4.216 20 30 EIEDHM CCCOc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1OCCC ZINC000920942295 1048816186 /nfs/dbraw/zinc/81/61/86/1048816186.db2.gz WVRGFUZSRHHDJW-UHFFFAOYSA-N -1 3 345.395 4.132 20 30 EIEDHM COc1ccccc1[C@H](C)/N=C\c1cc(Br)ccc1[O-] ZINC000920944656 1048819419 /nfs/dbraw/zinc/81/94/19/1048819419.db2.gz GWJLRTYIQYXABG-TZQXVGBESA-N -1 3 334.213 4.343 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)c1ccccc1C(F)(F)F ZINC000920991393 1048822944 /nfs/dbraw/zinc/82/29/44/1048822944.db2.gz SLIGDLMGAAXVFE-YBAOBPEKSA-N -1 3 343.732 4.217 20 30 EIEDHM CCOc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1OCC ZINC000920990781 1048823156 /nfs/dbraw/zinc/82/31/56/1048823156.db2.gz CAGSWLWVCHASJT-TWGQIWQCSA-N -1 3 342.391 4.094 20 30 EIEDHM CCOc1cc(/C=C2/Cc3c(cccc3F)C2=O)cc(Cl)c1[O-] ZINC000921266946 1048899248 /nfs/dbraw/zinc/89/92/48/1048899248.db2.gz SVBNULBVXSVADA-WDZFZDKYSA-N -1 3 332.758 4.406 20 30 EIEDHM Cc1ncc(CO)c(C=Nc2ccc(Nc3ccccc3)cc2)c1[O-] ZINC000747708484 1049049861 /nfs/dbraw/zinc/04/98/61/1049049861.db2.gz ZGJOPSBZYHGRNX-UHFFFAOYSA-N -1 3 333.391 4.082 20 30 EIEDHM Cc1ccc(Oc2ccc(N=Cc3c([O-])c(C)ncc3CO)cc2)cc1 ZINC000747713445 1049057417 /nfs/dbraw/zinc/05/74/17/1049057417.db2.gz YJWDONBQATUULJ-UHFFFAOYSA-N -1 3 348.402 4.439 20 30 EIEDHM C/C(=N\O)c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001168525417 1049300828 /nfs/dbraw/zinc/30/08/28/1049300828.db2.gz CPKKGBSBKWYCIN-SSDVNMTOSA-N -1 3 341.798 4.404 20 30 EIEDHM N#CC1(c2ccc(Nc3cccc([O-])c3Br)cc2)CC1 ZINC001212262966 1049305215 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N#Cc1oc2ccccc2c1[N-]C(=O)c1ccc(CN2CCCCC2)o1 ZINC001189737481 1051055171 /nfs/dbraw/zinc/05/51/71/1051055171.db2.gz KDTDWSRHGQHKBO-UHFFFAOYSA-N -1 3 349.390 4.136 20 30 EIEDHM CCc1cccc(C)c1NC(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001189948179 1051085458 /nfs/dbraw/zinc/08/54/58/1051085458.db2.gz SKIILJAUPURRGH-UHFFFAOYSA-N -1 3 326.400 4.359 20 30 EIEDHM CC(C)C[C@@H]1OCCC[C@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000773905725 1051183546 /nfs/dbraw/zinc/18/35/46/1051183546.db2.gz MHTBGAULLMBDFR-PNVSCOIYSA-N -1 3 340.261 4.167 20 30 EIEDHM N#CC(=C([O-])c1cc2ccccc2cc1OC(F)F)c1ccccn1 ZINC000156029998 1051487390 /nfs/dbraw/zinc/48/73/90/1051487390.db2.gz KXQYRZFASFFGDK-HNNXBMFYSA-N -1 3 338.313 4.326 20 30 EIEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)ccc1[O-] ZINC001182365921 1051524783 /nfs/dbraw/zinc/52/47/83/1051524783.db2.gz VGFNLVWZOJZOSP-KBPBESRZSA-N -1 3 346.308 4.025 20 30 EIEDHM CCCCCSc1ncccc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001192589565 1051771009 /nfs/dbraw/zinc/77/10/09/1051771009.db2.gz VVUBJIXJUREQHP-UHFFFAOYSA-N -1 3 341.436 4.193 20 30 EIEDHM O=C([C@H]1Cc2ccc(F)cc21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184235907 1051976730 /nfs/dbraw/zinc/97/67/30/1051976730.db2.gz PWGMCAHGOBSUNY-HNNXBMFYSA-N -1 3 340.181 4.190 20 30 EIEDHM CCCCN([O-])C(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001184315037 1051984215 /nfs/dbraw/zinc/98/42/15/1051984215.db2.gz PQUNRRAOXVUJLQ-UHFFFAOYSA-N -1 3 338.329 4.399 20 30 EIEDHM C[C@H](C(=O)N([O-])CCCCc1ccccc1)c1ccc(F)c(F)c1 ZINC001184293369 1051989358 /nfs/dbraw/zinc/98/93/58/1051989358.db2.gz QCZOCPBYQOYKBR-AWEZNQCLSA-N -1 3 333.378 4.309 20 30 EIEDHM Cc1cc(OCC(=O)N([O-])CCCCc2ccccc2)ccc1Cl ZINC001184293473 1051990785 /nfs/dbraw/zinc/99/07/85/1051990785.db2.gz USUIFURDCFGZOK-UHFFFAOYSA-N -1 3 347.842 4.268 20 30 EIEDHM C=C1CCC(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC001194591711 1052174714 /nfs/dbraw/zinc/17/47/14/1052174714.db2.gz UEYIWNYBWHFNIY-UHFFFAOYSA-N -1 3 348.295 4.327 20 30 EIEDHM CC(C)c1nsc([N-]C(=O)c2c(Cl)cc(C#N)cc2Cl)n1 ZINC001177128063 1052227081 /nfs/dbraw/zinc/22/70/81/1052227081.db2.gz CNFSBRFPXJNECM-UHFFFAOYSA-N -1 3 341.223 4.092 20 30 EIEDHM N#Cc1cnc2c(Cl)cccc2c1NCc1ccc([O-])c(F)c1 ZINC001185479719 1052249558 /nfs/dbraw/zinc/24/95/58/1052249558.db2.gz WMQYJGDALXWOTI-UHFFFAOYSA-N -1 3 327.746 4.217 20 30 EIEDHM Cc1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)n1C ZINC000338941967 1053549947 /nfs/dbraw/zinc/54/99/47/1053549947.db2.gz NJSZOCRJCCIHAO-NSHDSACASA-N -1 3 329.812 4.087 20 30 EIEDHM N#Cc1ccccc1NC(=S)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001196322278 1053638838 /nfs/dbraw/zinc/63/88/38/1053638838.db2.gz DPAKGNPDBDJHSJ-UHFFFAOYSA-N -1 3 337.326 4.092 20 30 EIEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc(OC(F)F)cc1 ZINC000794926735 1053765219 /nfs/dbraw/zinc/76/52/19/1053765219.db2.gz NMLGMHJJJKHFQC-ALCCZGGFSA-N -1 3 326.245 4.168 20 30 EIEDHM COc1cc(C(=O)/C=C\c2cc(F)cc(Cl)c2)c(OC)cc1[O-] ZINC000776720254 1053789018 /nfs/dbraw/zinc/78/90/18/1053789018.db2.gz KFVVCXXTEVLVJK-ARJAWSKDSA-N -1 3 336.746 4.098 20 30 EIEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1coc(C(C)(C)C)n1 ZINC000874446907 1054661006 /nfs/dbraw/zinc/66/10/06/1054661006.db2.gz ZVACTXJSQARKIN-LBPRGKRZSA-N -1 3 343.452 4.476 20 30 EIEDHM N#Cc1cc(C(F)(F)F)ccc1Nc1cc(=O)[n-]n1C1CCCC1 ZINC001201692053 1054890389 /nfs/dbraw/zinc/89/03/89/1054890389.db2.gz ZBVKYWZKUXADSN-UHFFFAOYSA-N -1 3 336.317 4.338 20 30 EIEDHM [O-]c1ccc(F)c(C=NNc2ccccc2OC(F)(F)F)c1F ZINC000794536612 1055230252 /nfs/dbraw/zinc/23/02/52/1055230252.db2.gz RKKDUENRXZGISP-UHFFFAOYSA-N -1 3 332.228 4.015 20 30 EIEDHM C[C@@H]1CCc2c(C([O-])=C(C#N)c3nc4ccccc4[nH]3)csc2C1 ZINC000072591287 1056431574 /nfs/dbraw/zinc/43/15/74/1056431574.db2.gz XZYMQJQEQNHTSI-DGCLKSJQSA-N -1 3 335.432 4.239 20 30 EIEDHM COc1cc(C(=O)/C=C\c2ccc(SC)c(OC)c2)ccc1[O-] ZINC000746342173 1060216735 /nfs/dbraw/zinc/21/67/35/1060216735.db2.gz MXOKNMWPGOEUAB-DAXSKMNVSA-N -1 3 330.405 4.027 20 30 EIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cncc(Br)c1 ZINC000767356745 1061206451 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Cc1cc(C(=O)/C=C\c2ccc(F)c(Br)c2)ccc1[O-] ZINC000728232908 1020355380 /nfs/dbraw/zinc/35/53/80/1020355380.db2.gz XYPNLBVUSMEABS-UTCJRWHESA-N -1 3 335.172 4.498 20 30 EIEDHM COc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc(Cl)c1OC ZINC000728232480 1020372885 /nfs/dbraw/zinc/37/28/85/1020372885.db2.gz UJISZMZJFUSJAW-GQCTYLIASA-N -1 3 332.783 4.267 20 30 EIEDHM N#CC(=C([O-])C=Cc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000255067059 1020874152 /nfs/dbraw/zinc/87/41/52/1020874152.db2.gz HHBZEWWGVNFBOG-IWMPZKFUSA-N -1 3 337.329 4.321 20 30 EIEDHM CC[C@@H](F)C(=O)[N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001266644940 1022454670 /nfs/dbraw/zinc/45/46/70/1022454670.db2.gz MYQINYYXJLDBRC-ZJUUUORDSA-N -1 3 331.231 4.173 20 30 EIEDHM Cc1onc(-c2ccccc2Cl)c1C([O-])=C(C#N)c1ccccn1 ZINC000006831241 1022706687 /nfs/dbraw/zinc/70/66/87/1022706687.db2.gz RZQSSPNGRQGOED-CYBMUJFWSA-N -1 3 337.766 4.189 20 30 EIEDHM COc1ccc(NN=Cc2cc(Cl)c([O-])c(OC)c2)cc1Cl ZINC000782232821 1023049094 /nfs/dbraw/zinc/04/90/94/1023049094.db2.gz UPOMDGVXBYAGOL-UHFFFAOYSA-N -1 3 341.194 4.162 20 30 EIEDHM C[C@@H](CC#N)Sc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417018368 1023112773 /nfs/dbraw/zinc/11/27/73/1023112773.db2.gz HQYMBUZGVGOXLF-LBPRGKRZSA-N -1 3 340.452 4.066 20 30 EIEDHM C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000659801206 1023283779 /nfs/dbraw/zinc/28/37/79/1023283779.db2.gz BPWZPYIRLYBJNQ-TYNCELHUSA-N -1 3 326.223 4.302 20 30 EIEDHM C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000659801250 1023284061 /nfs/dbraw/zinc/28/40/61/1023284061.db2.gz CJVNLEFKXXKWBA-TYNCELHUSA-N -1 3 326.223 4.302 20 30 EIEDHM COc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccc1C ZINC000430644061 1023622515 /nfs/dbraw/zinc/62/25/15/1023622515.db2.gz SVJXVDQQNBBRRL-CYBMUJFWSA-N -1 3 328.437 4.248 20 30 EIEDHM N#C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1Cl ZINC000472151439 1026069286 /nfs/dbraw/zinc/06/92/86/1026069286.db2.gz FVVQXMSPLDBOCH-KRWDZBQOSA-N -1 3 336.778 4.193 20 30 EIEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)C(C)(C)CO3)n1 ZINC000582636264 1026886137 /nfs/dbraw/zinc/88/61/37/1026886137.db2.gz IMRCWWBCYATYNZ-ZDUSSCGKSA-N -1 3 340.448 4.427 20 30 EIEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1[O-] ZINC000331227263 1027937181 /nfs/dbraw/zinc/93/71/81/1027937181.db2.gz DODCDEHZBAFKAV-VXGBXAGGSA-N -1 3 329.318 4.021 20 30 EIEDHM Cn1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C1CCC1 ZINC000346596116 1028523645 /nfs/dbraw/zinc/52/36/45/1028523645.db2.gz WNNQOGKKRFLJTE-AWEZNQCLSA-N -1 3 347.340 4.196 20 30 EIEDHM N#CCCCn1cc(C(=O)Nc2cc(F)ccc2[O-])c2ccccc21 ZINC000444325577 1029299911 /nfs/dbraw/zinc/29/99/11/1029299911.db2.gz GLRVOBPNWBTAEI-UHFFFAOYSA-N -1 3 337.354 4.042 20 30 EIEDHM N#CC(=C([O-])c1ccccc1Oc1ccccc1C#N)c1ccccn1 ZINC000182060073 1029933304 /nfs/dbraw/zinc/93/33/04/1029933304.db2.gz NMHIHBGRIWNTBI-KRWDZBQOSA-N -1 3 339.354 4.236 20 30 EIEDHM CC[C@@H](C)c1ccccc1OCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000026252489 1031047657 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CCN(C(=O)c1cc(SC)ccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000596905686 1036048825 /nfs/dbraw/zinc/04/88/25/1036048825.db2.gz QYXMYICBKGZNIX-ZDUSSCGKSA-N -1 3 340.448 4.209 20 30 EIEDHM CC1(C)CCc2sc([N-]C(=O)c3csc([N+](=O)[O-])c3)c(C#N)c21 ZINC000906262606 1036190641 /nfs/dbraw/zinc/19/06/41/1036190641.db2.gz MVCRBIFARPDDCU-UHFFFAOYSA-N -1 3 347.421 4.066 20 30 EIEDHM CC(C)(C)c1cc([N-]C(=O)c2ncnc3ccsc32)c(C#N)s1 ZINC000598825460 1036796474 /nfs/dbraw/zinc/79/64/74/1036796474.db2.gz IZOZRVURHBKGDY-UHFFFAOYSA-N -1 3 342.449 4.174 20 30 EIEDHM CC(C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1-c1ccccc1 ZINC000488243070 1037448439 /nfs/dbraw/zinc/44/84/39/1037448439.db2.gz KJAZHQWRAFFFQO-INIZCTEOSA-N -1 3 330.391 4.016 20 30 EIEDHM CC(C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1-c1ccccc1 ZINC000488243071 1037449784 /nfs/dbraw/zinc/44/97/84/1037449784.db2.gz KJAZHQWRAFFFQO-MRXNPFEDSA-N -1 3 330.391 4.016 20 30 EIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(C)c(Br)c2)n1 ZINC000080252011 1038939703 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CCCOc1cccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC000763106659 1045503502 /nfs/dbraw/zinc/50/35/02/1045503502.db2.gz QYZDWHAOINBWGF-CMDGGOBGSA-N -1 3 342.391 4.094 20 30 EIEDHM [O-]c1ccc(Nc2nc(F)cc(C(F)(F)F)c2F)c(F)c1F ZINC001212000220 1045777796 /nfs/dbraw/zinc/77/77/96/1045777796.db2.gz TWAFVWIDDRKDNU-UHFFFAOYSA-N -1 3 326.171 4.106 20 30 EIEDHM CC(C)(C)[C@@H]1C[C@@H](/N=C/c2cc(Br)ccc2[O-])CCO1 ZINC000763277521 1045806423 /nfs/dbraw/zinc/80/64/23/1045806423.db2.gz NHVUWOSKQUAWEU-NEIUSJPKSA-N -1 3 340.261 4.167 20 30 EIEDHM CCOCCOCc1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000915979752 1045851691 /nfs/dbraw/zinc/85/16/91/1045851691.db2.gz KDBIUPCPXIXAPY-FYJGNVAPSA-N -1 3 347.842 4.218 20 30 EIEDHM N#CC(=C([O-])C=CSCc1ccco1)c1nccc2ccccc21 ZINC000792100347 1045856706 /nfs/dbraw/zinc/85/67/06/1045856706.db2.gz DPACBOCOUNTROB-SDMNGIDPSA-N -1 3 334.400 4.451 20 30 EIEDHM CCOc1cc(C=NNc2cccc3ncccc32)cc(Cl)c1[O-] ZINC000915964930 1045858517 /nfs/dbraw/zinc/85/85/17/1045858517.db2.gz 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CCOc1c(OC)cc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc1OC ZINC000728232022 1020320236 /nfs/dbraw/zinc/32/02/36/1020320236.db2.gz QOPAFGBMUJOVBG-SOFGYWHQSA-N -1 3 342.391 4.013 20 30 EIEDHM COc1cc(C(=O)/C=C\c2ccc(-c3ccncc3)cc2F)ccc1[O-] ZINC000255123504 1021041226 /nfs/dbraw/zinc/04/12/26/1021041226.db2.gz KGAUSJGSIDVHBQ-XQRVVYSFSA-N -1 3 349.361 4.498 20 30 EIEDHM N#CC(=C([O-])c1ccc(C(F)(F)F)cn1)c1ccc2ccccc2n1 ZINC000613290572 1021853829 /nfs/dbraw/zinc/85/38/29/1021853829.db2.gz HAYMSLRKCGNIOO-CYBMUJFWSA-N -1 3 341.292 4.139 20 30 EIEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000580191739 1023024000 /nfs/dbraw/zinc/02/40/00/1023024000.db2.gz WSPJHJAQGRPUAS-AWEZNQCLSA-N -1 3 340.448 4.470 20 30 EIEDHM C=C[C@H](CCC(=O)[O-])NCc1c(Cl)cccc1SC(C)C ZINC000417612601 1023378769 /nfs/dbraw/zinc/37/87/69/1023378769.db2.gz RHPMQEFEJKYNJT-GFCCVEGCSA-N -1 3 327.877 4.350 20 30 EIEDHM C[C@H](C#N)Oc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1 ZINC000728698214 1023496675 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CCCn1c2ccc(C#N)cc2nc1-c1cc(Cl)c([O-])c(OC)c1 ZINC000535357774 1040217665 /nfs/dbraw/zinc/21/76/65/1040217665.db2.gz QGTYTIKFADWFDC-UHFFFAOYSA-N -1 3 341.798 4.353 20 30 EIEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cccs1 ZINC000130438546 1040364063 /nfs/dbraw/zinc/36/40/63/1040364063.db2.gz IFLKQZJTYVUVPF-LLVKDONJSA-N -1 3 339.203 4.016 20 30 EIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)c(C)o2)cc1 ZINC000128765775 1040608219 /nfs/dbraw/zinc/60/82/19/1040608219.db2.gz XAZABECWHZHGJY-YVEFUNNKSA-N -1 3 338.407 4.371 20 30 EIEDHM N#CC(=C([O-])c1ccc(F)c2ccccc12)c1cnc2ccccc2n1 ZINC000483989492 1041090466 /nfs/dbraw/zinc/09/04/66/1041090466.db2.gz AFMPPAANWLNIGP-MRXNPFEDSA-N -1 3 341.345 4.412 20 30 EIEDHM Cc1nc(C2CCCCC2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000538164402 1041108009 /nfs/dbraw/zinc/10/80/09/1041108009.db2.gz OVJBBIZYETYIKY-CQSZACIVSA-N -1 3 325.437 4.384 20 30 EIEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2ccc(F)cc2)CCCC1 ZINC000076946870 1043182160 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C#CCOc1ccc([C@H](C)OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000730431284 1043516256 /nfs/dbraw/zinc/51/62/56/1043516256.db2.gz WIBIJUUTEPHSEF-LBPRGKRZSA-N -1 3 325.389 4.159 20 30 EIEDHM N#Cc1cccc(C2([N-]C(=O)C(F)(F)c3cccc(Cl)c3)CC2)c1 ZINC001128806176 1043855253 /nfs/dbraw/zinc/85/52/53/1043855253.db2.gz OUJFIALETLPMPQ-UHFFFAOYSA-N -1 3 346.764 4.109 20 30 EIEDHM Cc1ccccc1[C@H](CC(C)C)/N=C/c1c([O-])c(C)ncc1CO ZINC000732714199 1043987378 /nfs/dbraw/zinc/98/73/78/1043987378.db2.gz UDLFBUSVIDWANE-QKXOWGBTSA-N -1 3 326.440 4.103 20 30 EIEDHM COc1ccc(OC(F)F)c(/C=C\C(=O)c2ccc([O-])c(C)c2)c1 ZINC000732926240 1044036611 /nfs/dbraw/zinc/03/66/11/1044036611.db2.gz JBMGEURECXZIQL-DAXSKMNVSA-N -1 3 334.318 4.207 20 30 EIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1nccn1Cc1ccccc1 ZINC000734095995 1044473540 /nfs/dbraw/zinc/47/35/40/1044473540.db2.gz UPYLNJZDOVADBB-LKKYZFDUSA-N -1 3 348.377 4.160 20 30 EIEDHM Cc1c2cccc(Cl)c2oc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000071845310 1044813716 /nfs/dbraw/zinc/81/37/16/1044813716.db2.gz LXPRIDJGLVZHKY-UHFFFAOYSA-N -1 3 344.680 4.168 20 30 EIEDHM Cc1c2cccc(Cl)c2oc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000071845310 1044813718 /nfs/dbraw/zinc/81/37/18/1044813718.db2.gz LXPRIDJGLVZHKY-UHFFFAOYSA-N -1 3 344.680 4.168 20 30 EIEDHM C=C[C@@H](CC)CC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000909529580 1044966798 /nfs/dbraw/zinc/96/67/98/1044966798.db2.gz MHKPUIYWLQVYNX-PWSUYJOCSA-N -1 3 334.441 4.220 20 30 EIEDHM C[C@@H](/N=C\c1cc(Br)ccc1[O-])c1ccc(C#N)cc1 ZINC000915112847 1045108154 /nfs/dbraw/zinc/10/81/54/1045108154.db2.gz IJUKARZWEKKHJC-XEQXHXIFSA-N -1 3 329.197 4.206 20 30 EIEDHM Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1OCCC(C)C ZINC000739427573 1045144019 /nfs/dbraw/zinc/14/40/19/1045144019.db2.gz VGXDHPRCFSGTNS-UHFFFAOYSA-N -1 3 329.396 4.287 20 30 EIEDHM [O-]c1ccc(Br)cc1C=Nc1cc(F)c(F)c(F)c1 ZINC000741166044 1045278717 /nfs/dbraw/zinc/27/87/17/1045278717.db2.gz VKRACNYMNVRNCX-UHFFFAOYSA-N -1 3 330.103 4.323 20 30 EIEDHM C[C@@H]1CCCC[C@@H]1OCC/N=C/c1cc(Br)ccc1[O-] ZINC000915978477 1045849317 /nfs/dbraw/zinc/84/93/17/1045849317.db2.gz GCUWUHWGRJGUQE-GZSQHQNZSA-N -1 3 340.261 4.169 20 30 EIEDHM CC(C)([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccc(Cl)cc1 ZINC001157703553 1045929811 /nfs/dbraw/zinc/92/98/11/1045929811.db2.gz PLQLPDLXIWQOGO-UHFFFAOYSA-N -1 3 348.780 4.355 20 30 EIEDHM CCc1cc2c(CSc3ccc(C#N)cc3)cc(=O)oc2cc1[O-] ZINC000916672732 1046170997 /nfs/dbraw/zinc/17/09/97/1046170997.db2.gz XLBPTHQVXSDVEG-UHFFFAOYSA-N -1 3 337.400 4.225 20 30 EIEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1cc2c(ccc3ccccc23)o1 ZINC000917554296 1046985100 /nfs/dbraw/zinc/98/51/00/1046985100.db2.gz AWWRWRUQYGRZIJ-UHFFFAOYSA-N -1 3 342.362 4.088 20 30 EIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ncc(C(F)(F)F)s1 ZINC000788349475 1047165344 /nfs/dbraw/zinc/16/53/44/1047165344.db2.gz LADPDJMLJUFLLM-PDKRUMACSA-N -1 3 343.301 4.390 20 30 EIEDHM CC[C@@H](NCc1ccc(C#N)cn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806161744 1047184629 /nfs/dbraw/zinc/18/46/29/1047184629.db2.gz SXEUQMGKHJSYLO-OAHLLOKOSA-N -1 3 336.222 4.207 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806550614 1047300053 /nfs/dbraw/zinc/30/00/53/1047300053.db2.gz MOKWOOSDECCUGC-SJTXTDJHSA-N -1 3 343.732 4.217 20 30 EIEDHM CC(=NN=c1[nH]c2ccccc2n1C)c1cc(Cl)cc(C)c1[O-] ZINC000807963577 1047561419 /nfs/dbraw/zinc/56/14/19/1047561419.db2.gz DUTJVWHSGXPFHG-UHFFFAOYSA-N -1 3 328.803 4.077 20 30 EIEDHM N#Cc1cc([N-]C(=O)c2sccc2Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000808606610 1048021212 /nfs/dbraw/zinc/02/12/12/1048021212.db2.gz RDNSBPSNVANWQB-UHFFFAOYSA-N -1 3 342.163 4.087 20 30 EIEDHM CCOC(=O)C[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000920833532 1048799664 /nfs/dbraw/zinc/79/96/64/1048799664.db2.gz IZTFTBLCZSRMSK-DDLUMYACSA-N -1 3 331.799 4.159 20 30 EIEDHM C=CCC(F)(F)C(=O)[N-]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000816438273 1048806299 /nfs/dbraw/zinc/80/62/99/1048806299.db2.gz ABUIVXLQDUBUBQ-UHFFFAOYSA-N -1 3 337.288 4.148 20 30 EIEDHM N#Cc1ccc(C2=CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)cc1 ZINC000816521956 1048829904 /nfs/dbraw/zinc/82/99/04/1048829904.db2.gz FPTCUMQFHPOXHU-UHFFFAOYSA-N -1 3 342.801 4.346 20 30 EIEDHM CCc1cccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1[O-] ZINC001136011956 1049043110 /nfs/dbraw/zinc/04/31/10/1049043110.db2.gz WJXLQBWEBVYLBM-UHFFFAOYSA-N -1 3 342.398 4.002 20 30 EIEDHM N#Cc1c2c(sc1[N-]C(=O)c1ncoc1-c1ccccc1)CCCC2 ZINC000609558568 1049146804 /nfs/dbraw/zinc/14/68/04/1049146804.db2.gz MITRKTACIAOBRW-UHFFFAOYSA-N -1 3 349.415 4.406 20 30 EIEDHM CCCCCCC[C@@H](CCC)n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001172503695 1049923981 /nfs/dbraw/zinc/92/39/81/1049923981.db2.gz ZXYRSYYWXQVHDS-LLVKDONJSA-N -1 3 338.477 4.085 20 30 EIEDHM CCCCCCCC[C@@H](CC)n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001172504957 1049924388 /nfs/dbraw/zinc/92/43/88/1049924388.db2.gz JVWHFWBZLLDGRS-LLVKDONJSA-N -1 3 338.477 4.085 20 30 EIEDHM N#Cc1c([N-]C(=O)c2nccs2)sc2c1-c1ccccc1CC2 ZINC000618639177 1050451670 /nfs/dbraw/zinc/45/16/70/1050451670.db2.gz JENRWHUOIAZDQE-UHFFFAOYSA-N -1 3 337.429 4.094 20 30 EIEDHM Cc1ccc(C(C)C)c([O-])c1C(=O)Nc1ccc(F)c(C#N)c1F ZINC001188172609 1050714810 /nfs/dbraw/zinc/71/48/10/1050714810.db2.gz KCRKJZLOVNTJGK-UHFFFAOYSA-N -1 3 330.334 4.226 20 30 EIEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cnc(-c2ccccc2)nc1 ZINC001190014234 1051093854 /nfs/dbraw/zinc/09/38/54/1051093854.db2.gz KKKXUVPEIPVYMK-UHFFFAOYSA-N -1 3 340.342 4.014 20 30 EIEDHM CCCCCCC[C@H](C)C(=O)Nc1ncc([O-])cc1Br ZINC001181113107 1051152523 /nfs/dbraw/zinc/15/25/23/1051152523.db2.gz WWLBDEVIZUUXNJ-NSHDSACASA-N -1 3 343.265 4.485 20 30 EIEDHM N#Cc1cc(NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)ccc1[O-] ZINC001181827935 1051322938 /nfs/dbraw/zinc/32/29/38/1051322938.db2.gz JKUBOGODKCCNOR-FQEVSTJZSA-N -1 3 342.398 4.229 20 30 EIEDHM N#Cc1cc(NC(=O)C2(Cc3ccccc3)CCCCC2)ccc1[O-] ZINC001182217864 1051434483 /nfs/dbraw/zinc/43/44/83/1051434483.db2.gz OVRAJGIMPXCODM-UHFFFAOYSA-N -1 3 334.419 4.396 20 30 EIEDHM CCCCCCCCc1nnc(NC(=O)c2c([O-])cccc2O)s1 ZINC001182303101 1051480997 /nfs/dbraw/zinc/48/09/97/1051480997.db2.gz MSHYOVPXQLHHRI-UHFFFAOYSA-N -1 3 349.456 4.105 20 30 EIEDHM CCCCCCN([O-])C(=O)[C@H](C)c1ccc(Br)s1 ZINC001184305775 1051983184 /nfs/dbraw/zinc/98/31/84/1051983184.db2.gz QLPWLFIQDJBRAW-SNVBAGLBSA-N -1 3 334.279 4.412 20 30 EIEDHM CCCCCCN([O-])C(=O)Cc1ccc(C)cc1Br ZINC001184305238 1051983279 /nfs/dbraw/zinc/98/32/79/1051983279.db2.gz AQGKTEXEGKFCJL-UHFFFAOYSA-N -1 3 328.250 4.098 20 30 EIEDHM CC(C)(C(=O)N([O-])CCCCc1ccccc1)c1ccc(C#N)cc1 ZINC001184293136 1051989525 /nfs/dbraw/zinc/98/95/25/1051989525.db2.gz GOJPWVARIOLMCA-UHFFFAOYSA-N -1 3 336.435 4.077 20 30 EIEDHM O=C([C@H](c1ccncc1)C1CCCC1)N([O-])Cc1ccccc1Cl ZINC001184293178 1051990001 /nfs/dbraw/zinc/99/00/01/1051990001.db2.gz IHEQHOJCSWQGNG-SFHVURJKSA-N -1 3 344.842 4.427 20 30 EIEDHM Cc1ccc([N+](=O)[O-])c(C(=O)N([O-])CCCCc2ccccc2)c1C ZINC001184293464 1051990142 /nfs/dbraw/zinc/99/01/42/1051990142.db2.gz UNGSBOVNWQJFHN-UHFFFAOYSA-N -1 3 342.395 4.066 20 30 EIEDHM COc1cccc([C@@H]2C[C@H]2C(=O)N([O-])CCCCc2ccccc2)c1 ZINC001184293086 1051990593 /nfs/dbraw/zinc/99/05/93/1051990593.db2.gz DPLBUNQQXMESPY-VQTJNVASSA-N -1 3 339.435 4.039 20 30 EIEDHM [O-]c1c(O)ccc(C=Nc2ccc3nc(C(F)F)sc3c2)c1O ZINC000794677247 1053260882 /nfs/dbraw/zinc/26/08/82/1053260882.db2.gz SYFGRXKJWFXODA-UHFFFAOYSA-N -1 3 336.319 4.101 20 30 EIEDHM C=C(Cl)C[C@H](NCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000864518081 1053300764 /nfs/dbraw/zinc/30/07/64/1053300764.db2.gz BNIRMIMQJIZGHI-NSHDSACASA-N -1 3 342.144 4.044 20 30 EIEDHM C[C@@H](N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1cccc(C#N)c1[O-] ZINC000866369172 1053707319 /nfs/dbraw/zinc/70/73/19/1053707319.db2.gz BGJUXDSXKHFVHZ-YMTOWFKASA-N -1 3 332.325 4.019 20 30 EIEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc(Br)cc1 ZINC000794927169 1053755335 /nfs/dbraw/zinc/75/53/35/1053755335.db2.gz PBLKTEDLHRDQNC-ALCCZGGFSA-N -1 3 339.135 4.329 20 30 EIEDHM CC(C)(C)c1cc(C(=O)[N-]c2ccccc2SCCC#N)no1 ZINC000266001959 1054098946 /nfs/dbraw/zinc/09/89/46/1054098946.db2.gz HDCUKHCAHQOCDZ-UHFFFAOYSA-N -1 3 329.425 4.230 20 30 EIEDHM CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cccc([O-])c2F)c1 ZINC000872045621 1054359974 /nfs/dbraw/zinc/35/99/74/1054359974.db2.gz QAHNLASBFKMUMR-UKRRQHHQSA-N -1 3 328.387 4.063 20 30 EIEDHM CCCCCCCCCCS(=O)(=O)[N-]c1cnnc(Cl)c1 ZINC001201831593 1054927494 /nfs/dbraw/zinc/92/74/94/1054927494.db2.gz SNZHZPKQERHORZ-UHFFFAOYSA-N -1 3 333.885 4.012 20 30 EIEDHM S=c1[n-]c2ccccc2nc1N=NC1CCCC[C@H]1[C@H]1CCOC1 ZINC000863125127 1055149065 /nfs/dbraw/zinc/14/90/65/1055149065.db2.gz NPCBKTLXSZMQEL-STQMWFEESA-N -1 3 342.468 4.287 20 30 EIEDHM COc1cc(C(=O)/C=C/c2ccc(Br)c(C)c2)ccc1[O-] ZINC000746394776 1060278616 /nfs/dbraw/zinc/27/86/16/1060278616.db2.gz QPCSAINMWUEXMK-QPJJXVBHSA-N -1 3 347.208 4.368 20 30 EIEDHM Cc1sc(Br)c(C([O-])=C(C#N)c2ccccn2)c1C ZINC000442097809 1043491602 /nfs/dbraw/zinc/49/16/02/1043491602.db2.gz XXMLWXLRQWSUKQ-JTQLQIEISA-N -1 3 335.226 4.013 20 30 EIEDHM Cc1ccc([O-])c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 ZINC000108981486 1019174260 /nfs/dbraw/zinc/17/42/60/1019174260.db2.gz WEIBIUQWGWWWDQ-ZDUSSCGKSA-N -1 3 326.421 4.347 20 30 EIEDHM [O-]c1c(O)ccc(C=Nc2ccc(Sc3ccncc3)cc2)c1O ZINC000255006791 1019798769 /nfs/dbraw/zinc/79/87/69/1019798769.db2.gz BCDLNTHFTCGCAF-UHFFFAOYSA-N -1 3 338.388 4.100 20 30 EIEDHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1Br ZINC000728230694 1020300605 /nfs/dbraw/zinc/30/06/05/1020300605.db2.gz FQGVESCZSZNDMF-UTCJRWHESA-N -1 3 347.208 4.368 20 30 EIEDHM Cc1cc(C(=O)/C=C/c2cc(Br)ccc2F)ccc1[O-] ZINC000728231271 1020346852 /nfs/dbraw/zinc/34/68/52/1020346852.db2.gz LDDTXZJHNCYVGY-FARCUNLSSA-N -1 3 335.172 4.498 20 30 EIEDHM Cc1sc([N-]C(=O)c2ncoc2-c2ccc(F)cc2)c(C#N)c1C ZINC000471353541 1020836132 /nfs/dbraw/zinc/83/61/32/1020836132.db2.gz MVIWIJVKOGQXJG-UHFFFAOYSA-N -1 3 341.367 4.283 20 30 EIEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3cnc(C4CC4)o3)sc2[C@@H](C)C1 ZINC000891172944 1021455707 /nfs/dbraw/zinc/45/57/07/1021455707.db2.gz 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CC(C)(C)OC(=O)NCc1cc(-c2ccc([O-])cc2C#N)cs1 ZINC000854201415 1053778810 /nfs/dbraw/zinc/77/88/10/1053778810.db2.gz JWDHCOGJOXOVLY-UHFFFAOYSA-N -1 3 330.409 4.017 20 30 EIEDHM COc1cc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)ccc1[O-] ZINC000007621527 1055495383 /nfs/dbraw/zinc/49/53/83/1055495383.db2.gz QNEMAPNLFPKCJP-YRNVUSSQSA-N -1 3 337.419 4.287 20 30 EIEDHM C[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc(-n2cccn2)cc1 ZINC000743501989 1059028714 /nfs/dbraw/zinc/02/87/14/1059028714.db2.gz UZAZVXFZKRWJBA-HMHKGCENSA-N -1 3 325.799 4.411 20 30 EIEDHM N#Cc1c2c(sc1[N-]C(=O)c1coc(C3CCCCC3)n1)CCC2 ZINC000547931351 1020895442 /nfs/dbraw/zinc/89/54/42/1020895442.db2.gz MIYQUIXZOXOFKZ-UHFFFAOYSA-N -1 3 341.436 4.396 20 30 EIEDHM Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1N1CCOC1=O ZINC000255405208 1021860153 /nfs/dbraw/zinc/86/01/53/1021860153.db2.gz OAGSDILTUCPYSB-UHFFFAOYSA-N -1 3 330.771 4.061 20 30 EIEDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000180389754 1022603522 /nfs/dbraw/zinc/60/35/22/1022603522.db2.gz 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1025544120 /nfs/dbraw/zinc/54/41/20/1025544120.db2.gz OFYIYGLUVSFZMT-UHFFFAOYSA-N -1 3 343.408 4.443 20 30 EIEDHM CCOc1cc(/C=C\C(=O)c2sccc2OC)cc(Cl)c1[O-] ZINC000588489096 1025569126 /nfs/dbraw/zinc/56/91/26/1025569126.db2.gz UXIMBYLXDWHKSE-PLNGDYQASA-N -1 3 338.812 4.411 20 30 EIEDHM CC(F)(F)CC(=O)[N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000277468309 1026117107 /nfs/dbraw/zinc/11/71/07/1026117107.db2.gz MGXSQTQFASHSSU-JTQLQIEISA-N -1 3 347.230 4.053 20 30 EIEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1Cl ZINC000426688137 1026477015 /nfs/dbraw/zinc/47/70/15/1026477015.db2.gz URFKWAVLYUVRCK-GOSISDBHSA-N -1 3 345.826 4.129 20 30 EIEDHM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1noc2c1CCCC2 ZINC000512322162 1026688319 /nfs/dbraw/zinc/68/83/19/1026688319.db2.gz JWPRWZZUCDIUKP-UHFFFAOYSA-N -1 3 349.415 4.406 20 30 EIEDHM N#CC(=C([O-])c1ccoc1C1CC1)c1nc2ccccc2n1C(F)F ZINC000342627957 1026764508 /nfs/dbraw/zinc/76/45/08/1026764508.db2.gz FAVDEQRJNXDTAA-GFCCVEGCSA-N -1 3 341.317 4.392 20 30 EIEDHM Cc1noc(C(C)C)c1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC000076638256 1027091236 /nfs/dbraw/zinc/09/12/36/1027091236.db2.gz UZFANAALRAWKPE-UHFFFAOYSA-N -1 3 345.790 4.181 20 30 EIEDHM Cc1c(C(=O)/C=C\c2cccc([O-])c2Br)cnn1C(C)C ZINC000840720640 1027577042 /nfs/dbraw/zinc/57/70/42/1027577042.db2.gz OZBWDIBTDJOGMO-FPLPWBNLSA-N -1 3 349.228 4.137 20 30 EIEDHM CC(C)(C)c1cc([N-]C(=O)c2noc3c2CCCC3)c(C#N)s1 ZINC000091208368 1029887309 /nfs/dbraw/zinc/88/73/09/1029887309.db2.gz USIYAJCAGCCIPI-UHFFFAOYSA-N -1 3 329.425 4.036 20 30 EIEDHM N#Cc1ccsc1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000179810000 1031305732 /nfs/dbraw/zinc/30/57/32/1031305732.db2.gz IPRYHIXPACRKML-UHFFFAOYSA-N -1 3 334.400 4.168 20 30 EIEDHM CC[C@H](/N=C/c1cc(Br)ccc1[O-])c1nc(C)cs1 ZINC000729641362 1031824879 /nfs/dbraw/zinc/82/48/79/1031824879.db2.gz GLRYNZBFUMTDKM-QFULYMJESA-N -1 3 339.258 4.490 20 30 EIEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000614410888 1034556002 /nfs/dbraw/zinc/55/60/02/1034556002.db2.gz SXJDJQVDOGURGG-LLVKDONJSA-N -1 3 327.409 4.199 20 30 EIEDHM CSc1ccc([O-])c(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000596984271 1036066597 /nfs/dbraw/zinc/06/65/97/1036066597.db2.gz KSVZFSCLAMQKQT-UHFFFAOYSA-N -1 3 340.448 4.037 20 30 EIEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1onc2c1CCCC2 ZINC000597179504 1036145993 /nfs/dbraw/zinc/14/59/93/1036145993.db2.gz IQABUXYPYOZRPT-LBPRGKRZSA-N -1 3 341.436 4.057 20 30 EIEDHM C=CCSc1ccccc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000486498213 1036738836 /nfs/dbraw/zinc/73/88/36/1036738836.db2.gz WDQZQJVHCBKERS-UHFFFAOYSA-N -1 3 335.432 4.029 20 30 EIEDHM C[C@@H]1CCc2sc([N-]C(=O)c3coc(C4CC4)n3)c(C#N)c2[C@@H]1C ZINC000591004423 1037257048 /nfs/dbraw/zinc/25/70/48/1037257048.db2.gz MDECYCRGVKFQMX-NXEZZACHSA-N -1 3 341.436 4.423 20 30 EIEDHM COc1cccc2cc(C([O-])=C(C#N)c3nc4c(cccc4C)[nH]3)oc21 ZINC000605363598 1037773027 /nfs/dbraw/zinc/77/30/27/1037773027.db2.gz NKQFLFXZWZBJOX-CYBMUJFWSA-N -1 3 345.358 4.116 20 30 EIEDHM CCc1ccc([C@@H](C#N)NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000489952468 1038284017 /nfs/dbraw/zinc/28/40/17/1038284017.db2.gz JREZUWNUUCKUKE-LJQANCHMSA-N -1 3 330.387 4.102 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N/CCc1nc(C(F)(F)F)cs1 ZINC000173993177 1038807910 /nfs/dbraw/zinc/80/79/10/1038807910.db2.gz LRYBHOOFSZWCSQ-NGYBGAFCSA-N -1 3 334.750 4.183 20 30 EIEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000476691885 1039837355 /nfs/dbraw/zinc/83/73/55/1039837355.db2.gz PXTVPFTZDQVFEY-NSHDSACASA-N -1 3 343.452 4.320 20 30 EIEDHM CC[C@@H](C)Oc1cc(C([O-])=C(C#N)c2nccc3ccccc32)ccn1 ZINC000483196111 1040758032 /nfs/dbraw/zinc/75/80/32/1040758032.db2.gz CJTDPLRRDBJIEC-RDTXWAMCSA-N -1 3 345.402 4.297 20 30 EIEDHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000026547668 1041511085 /nfs/dbraw/zinc/51/10/85/1041511085.db2.gz URUXJRSKDLJFFL-UHFFFAOYSA-N -1 3 342.464 4.412 20 30 EIEDHM C=CC[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccccc1 ZINC000427667201 1043143882 /nfs/dbraw/zinc/14/38/82/1043143882.db2.gz ZHRRYESBOXXYNP-CQSZACIVSA-N -1 3 346.224 4.453 20 30 EIEDHM CC(=NNc1ccc(Br)cn1)c1cc(Cl)ccc1[O-] ZINC000727266078 1043178355 /nfs/dbraw/zinc/17/83/55/1043178355.db2.gz JBCGGMUNNGLSGQ-UHFFFAOYSA-N -1 3 340.608 4.039 20 30 EIEDHM CCCCC[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000727972865 1043339778 /nfs/dbraw/zinc/33/97/78/1043339778.db2.gz IKPZXXURQZXCGC-CVHFWEDTSA-N -1 3 326.440 4.328 20 30 EIEDHM C=CCCC1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCC1 ZINC001212483636 1043469958 /nfs/dbraw/zinc/46/99/58/1043469958.db2.gz YJCJVMVRDXLUQD-UHFFFAOYSA-N -1 3 333.906 4.206 20 30 EIEDHM N#Cc1c(Br)cccc1Nc1cc(F)cc(F)c1[O-] ZINC001212487483 1043529955 /nfs/dbraw/zinc/52/99/55/1043529955.db2.gz NCFLUYPEBHXHRI-UHFFFAOYSA-N -1 3 325.112 4.048 20 30 EIEDHM Cc1cccc(COc2cccc(N=Cc3ccc(O)c([O-])c3O)c2)c1 ZINC000731937854 1043851725 /nfs/dbraw/zinc/85/17/25/1043851725.db2.gz OYOORVLODNKNPX-UHFFFAOYSA-N -1 3 349.386 4.441 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1nc(-c2cccc(Cl)c2)no1 ZINC000734303058 1044527960 /nfs/dbraw/zinc/52/79/60/1044527960.db2.gz BTDPXVFQMMFVJA-UWVJOHFNSA-N -1 3 348.189 4.368 20 30 EIEDHM CC(C)(C)c1ccc([C@@H](O)C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000734749725 1044663191 /nfs/dbraw/zinc/66/31/91/1044663191.db2.gz NQPNCJMFJDAIHR-NIQDBXHUSA-N -1 3 331.843 4.496 20 30 EIEDHM CCCCn1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1C ZINC000676459036 1044747551 /nfs/dbraw/zinc/74/75/51/1044747551.db2.gz QTKJQASCUOVGQY-MRXNPFEDSA-N -1 3 332.407 4.030 20 30 EIEDHM CS[C@@H]1CCC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000735229191 1044762424 /nfs/dbraw/zinc/76/24/24/1044762424.db2.gz UTNIZTUKLNPVND-SUNVMROUSA-N -1 3 328.275 4.248 20 30 EIEDHM C=C[C@H](CC)CC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000909529582 1044966360 /nfs/dbraw/zinc/96/63/60/1044966360.db2.gz MHKPUIYWLQVYNX-ZYHUDNBSSA-N -1 3 334.441 4.220 20 30 EIEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000073973029 1045193173 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CC(=NNc1ccnc(Br)c1)c1cc(Cl)ccc1[O-] ZINC000769805272 1046076327 /nfs/dbraw/zinc/07/63/27/1046076327.db2.gz NSAQOQNKDZIPPA-UHFFFAOYSA-N -1 3 340.608 4.039 20 30 EIEDHM COc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc(OC)c1C ZINC000080456561 1046619495 /nfs/dbraw/zinc/61/94/95/1046619495.db2.gz YHUALHYEZHLAOF-ZDUSSCGKSA-N -1 3 344.436 4.082 20 30 EIEDHM Cc1ccc(N=Cc2ccc(O)c([O-])c2O)c(OCc2ccccc2)c1 ZINC000917558000 1046967798 /nfs/dbraw/zinc/96/77/98/1046967798.db2.gz YRTIODAWCZLKSJ-UHFFFAOYSA-N -1 3 349.386 4.441 20 30 EIEDHM COc1cc(C(=O)/C=C\c2cnc(-c3ccco3)s2)ccc1[O-] ZINC000788097070 1047105718 /nfs/dbraw/zinc/10/57/18/1047105718.db2.gz GEIMSLAQYVUFQM-ALCCZGGFSA-N -1 3 327.361 4.013 20 30 EIEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc(F)c3ccccc32)c1[O-] ZINC000806551372 1047296965 /nfs/dbraw/zinc/29/69/65/1047296965.db2.gz KPLLILLJDXJGSH-RPCHLKFKSA-N -1 3 338.382 4.060 20 30 EIEDHM CC[C@@H](C)[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000072673440 1048044510 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CCCCCCC[C@H](CCC)n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001172503696 1049924288 /nfs/dbraw/zinc/92/42/88/1049924288.db2.gz ZXYRSYYWXQVHDS-NSHDSACASA-N -1 3 338.477 4.085 20 30 EIEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3coc(C4CCC4)n3)sc2C1 ZINC000618073322 1050233044 /nfs/dbraw/zinc/23/30/44/1050233044.db2.gz NROFMBMTDAPUJZ-SNVBAGLBSA-N -1 3 341.436 4.252 20 30 EIEDHM Cc1noc([N-]C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C#N ZINC001187488726 1050553998 /nfs/dbraw/zinc/55/39/98/1050553998.db2.gz VTPAQXQTJKRBMV-UHFFFAOYSA-N -1 3 344.680 4.171 20 30 EIEDHM CCCCCCCCS(=O)(=O)[N-]c1cccn2c(C)c(C)nc12 ZINC001188002158 1050668511 /nfs/dbraw/zinc/66/85/11/1050668511.db2.gz XXWOVZIFNSRAIA-UHFFFAOYSA-N -1 3 337.489 4.053 20 30 EIEDHM N#Cc1ccc([O-])c(Nc2ccc(C(=O)NC3CCCCC3)cc2)c1 ZINC001174081605 1050756715 /nfs/dbraw/zinc/75/67/15/1050756715.db2.gz SBIVYRZGPKIWKN-UHFFFAOYSA-N -1 3 335.407 4.070 20 30 EIEDHM C[Si](C)(C)C#Cc1ccc(C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001189169142 1050930438 /nfs/dbraw/zinc/93/04/38/1050930438.db2.gz ARQYFVPVFDNQKK-UHFFFAOYSA-N -1 3 327.431 4.013 20 30 EIEDHM CCNC(=O)Nc1ccc(C)c(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000775231735 1050948206 /nfs/dbraw/zinc/94/82/06/1050948206.db2.gz JDIFJJKQLBADHK-UHFFFAOYSA-N -1 3 331.803 4.246 20 30 EIEDHM CCCCCCCNC(=O)Nc1c([O-])cccc1Br ZINC001191104399 1051352912 /nfs/dbraw/zinc/35/29/12/1051352912.db2.gz CUKVVZNLAODGSC-UHFFFAOYSA-N -1 3 329.238 4.247 20 30 EIEDHM O=C([C@@H]1Cc2ccc(F)cc21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184235908 1051977057 /nfs/dbraw/zinc/97/70/57/1051977057.db2.gz PWGMCAHGOBSUNY-OAHLLOKOSA-N -1 3 340.181 4.190 20 30 EIEDHM CC(C)(C#N)c1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001184283872 1051987354 /nfs/dbraw/zinc/98/73/54/1051987354.db2.gz ULOGCWNXQOQHEL-UHFFFAOYSA-N -1 3 328.799 4.173 20 30 EIEDHM O=C(CCCOc1ccccc1F)N([O-])CCCCc1ccccc1 ZINC001184293591 1051989632 /nfs/dbraw/zinc/98/96/32/1051989632.db2.gz ZQSMBGCCVASPNO-UHFFFAOYSA-N -1 3 345.414 4.225 20 30 EIEDHM O=C([C@H]1C[C@]12CCc1ccccc12)N([O-])CCCCc1ccccc1 ZINC001184293522 1051990573 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C=CCC(F)(F)C(=O)[N-]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000870014881 1054057229 /nfs/dbraw/zinc/05/72/29/1054057229.db2.gz XWVMZSYGEUOGFF-UHFFFAOYSA-N -1 3 328.746 4.044 20 30 EIEDHM CCc1c(C)sc([N-]C(=O)c2coc(C3CCCC3)n2)c1C#N ZINC000509496967 1054126835 /nfs/dbraw/zinc/12/68/35/1054126835.db2.gz XQCMRWQAQDULRF-UHFFFAOYSA-N -1 3 329.425 4.389 20 30 EIEDHM COc1cc(/C=C2\CCc3ccc(F)cc3C2=O)cc(Cl)c1[O-] ZINC000776192875 1054831602 /nfs/dbraw/zinc/83/16/02/1054831602.db2.gz MHSRXOWELRQVMB-WUXMJOGZSA-N -1 3 332.758 4.406 20 30 EIEDHM CCOc1cc(/C=C2\CCc3scnc3C2=O)cc(Cl)c1[O-] ZINC000863196705 1055157477 /nfs/dbraw/zinc/15/74/77/1055157477.db2.gz RXUHQDVCJXBLMR-BJMVGYQFSA-N -1 3 335.812 4.113 20 30 EIEDHM Cc1ncc(CO)c(/C=N/[C@@H](CC(C)C)c2ccc(Cl)cc2)c1[O-] ZINC000741466421 1058223780 /nfs/dbraw/zinc/22/37/80/1058223780.db2.gz QLWJNNULYOUMAD-UJPSCDQMSA-N -1 3 346.858 4.448 20 30 EIEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc(-n2cccn2)cc1 ZINC000743501991 1059027598 /nfs/dbraw/zinc/02/75/98/1059027598.db2.gz UZAZVXFZKRWJBA-UAAGNOOKSA-N -1 3 325.799 4.411 20 30 EIEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(F)c(Cl)nc2Cl)s1 ZINC000103384247 1060954715 /nfs/dbraw/zinc/95/47/15/1060954715.db2.gz DEIREKAHVZSYRY-UHFFFAOYSA-N -1 3 344.198 4.275 20 30 EIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cncc(Br)c1 ZINC000767356744 1061207467 /nfs/dbraw/zinc/20/74/67/1061207467.db2.gz BFWNMTLBQVFEFD-SDZLHINSSA-N -1 3 348.171 4.072 20 30 EIEDHM CSc1ccc(C(=O)Nc2n[n-]c(-c3ccccc3Cl)n2)cc1 ZINC000097334970 219012528 /nfs/dbraw/zinc/01/25/28/219012528.db2.gz ZUKAXIUXTZETMH-UHFFFAOYSA-N -1 3 344.827 4.483 20 30 EIEDHM Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c([O-])c1 ZINC000108981770 1019172168 /nfs/dbraw/zinc/17/21/68/1019172168.db2.gz ASVZSYFOTRXIIP-ZDUSSCGKSA-N -1 3 326.421 4.347 20 30 EIEDHM N#CC(=C([O-])C=Cc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000255067054 1020874122 /nfs/dbraw/zinc/87/41/22/1020874122.db2.gz HHBZEWWGVNFBOG-BMSUMIBZSA-N -1 3 337.329 4.321 20 30 EIEDHM C[S@@](=O)Cc1ccc(Cl)c(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255120867 1021037143 /nfs/dbraw/zinc/03/71/43/1021037143.db2.gz ZXLZCUXOAXRAGU-OAQYLSRUSA-N -1 3 342.247 4.328 20 30 EIEDHM CCOC(=O)Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1C#N ZINC000255153099 1021369260 /nfs/dbraw/zinc/36/92/60/1021369260.db2.gz DISNKWBWDHKXLS-UHFFFAOYSA-N -1 3 343.770 4.236 20 30 EIEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000613072718 1021690279 /nfs/dbraw/zinc/69/02/79/1021690279.db2.gz UQZQCTPUEVPWGO-LLVKDONJSA-N -1 3 327.409 4.056 20 30 EIEDHM N#Cc1ccc(Oc2cccc(N=Cc3ccc(O)c([O-])c3O)c2)cc1 ZINC000255224622 1022425366 /nfs/dbraw/zinc/42/53/66/1022425366.db2.gz GULWOSHUGKELGC-UHFFFAOYSA-N -1 3 346.342 4.218 20 30 EIEDHM C=CC[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000656760676 1023501240 /nfs/dbraw/zinc/50/12/40/1023501240.db2.gz XJDXQGXSCYOREY-IAQYHMDHSA-N -1 3 328.239 4.407 20 30 EIEDHM C=CC[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000656760675 1023501611 /nfs/dbraw/zinc/50/16/11/1023501611.db2.gz XJDXQGXSCYOREY-ABAIWWIYSA-N -1 3 328.239 4.407 20 30 EIEDHM C=CC[C@@H]1CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000656760376 1023502187 /nfs/dbraw/zinc/50/21/87/1023502187.db2.gz SQSKUKVXSXIDTK-IAQYHMDHSA-N -1 3 328.239 4.407 20 30 EIEDHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000194857055 1023787414 /nfs/dbraw/zinc/78/74/14/1023787414.db2.gz XODYPXAXURZYPU-DQAKUKQTSA-N -1 3 344.798 4.182 20 30 EIEDHM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000051266513 1023800973 /nfs/dbraw/zinc/80/09/73/1023800973.db2.gz XLJMFGACKNNZGB-VIFPVBQESA-N -1 3 342.321 4.002 20 30 EIEDHM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000051266513 1023800974 /nfs/dbraw/zinc/80/09/74/1023800974.db2.gz XLJMFGACKNNZGB-VIFPVBQESA-N -1 3 342.321 4.002 20 30 EIEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)oc2C)cc1 ZINC000796800357 1024608270 /nfs/dbraw/zinc/60/82/70/1024608270.db2.gz SMHRRHXBRMQJAC-KRWDZBQOSA-N -1 3 338.407 4.235 20 30 EIEDHM CCCCCCC[C@@H](CC(=O)[O-])NCc1ccn(-c2ccccc2)n1 ZINC000277154547 1025150854 /nfs/dbraw/zinc/15/08/54/1025150854.db2.gz CVMJFNFNEGCLSZ-KRWDZBQOSA-N -1 3 343.471 4.166 20 30 EIEDHM COc1cc(C=NNc2cccc3cnccc32)cc(Cl)c1[O-] ZINC000728432066 1025385694 /nfs/dbraw/zinc/38/56/94/1025385694.db2.gz LXJGSBCRYKXSLE-UHFFFAOYSA-N -1 3 327.771 4.048 20 30 EIEDHM COC(=O)CSCc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000728438274 1025475608 /nfs/dbraw/zinc/47/56/08/1025475608.db2.gz RNQXEFIKQIFVLJ-UHFFFAOYSA-N -1 3 349.839 4.202 20 30 EIEDHM C=CCOc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426796511 1026569185 /nfs/dbraw/zinc/56/91/85/1026569185.db2.gz CJNDAKHVDLJPRZ-SFHVURJKSA-N -1 3 345.826 4.210 20 30 EIEDHM C[C@@H]1CN(c2ccc(N=Cc3cc(Cl)ccc3[O-])cc2)CCO1 ZINC000255613195 1030559578 /nfs/dbraw/zinc/55/95/78/1030559578.db2.gz BPJSBEZXSSCEBB-CYBMUJFWSA-N -1 3 330.815 4.021 20 30 EIEDHM N#Cc1ccc(Nc2cccc(C(=O)Nc3cc(F)ccc3[O-])c2)cc1 ZINC000530658229 1030630367 /nfs/dbraw/zinc/63/03/67/1030630367.db2.gz YPKJNDRZFNOAFZ-UHFFFAOYSA-N -1 3 347.349 4.399 20 30 EIEDHM Cc1nc(-c2ccc(F)cc2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000041493116 1031492614 /nfs/dbraw/zinc/49/26/14/1031492614.db2.gz ACAJJRQJXZEIHB-AWEZNQCLSA-N -1 3 337.379 4.143 20 30 EIEDHM [O-]c1ccc(Br)cc1/C=N/Cc1cc(F)ccc1F ZINC000729641199 1031823851 /nfs/dbraw/zinc/82/38/51/1031823851.db2.gz DNWPYZPPEJHSKL-QGMBQPNBSA-N -1 3 326.140 4.052 20 30 EIEDHM C=CCOCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000419354061 1034420954 /nfs/dbraw/zinc/42/09/54/1034420954.db2.gz KJQOQBPWMNOZLZ-UHFFFAOYSA-N -1 3 348.449 4.093 20 30 EIEDHM N#Cc1ccsc1[N-]C(=O)c1cnc(-c2ccccc2F)s1 ZINC000129320591 1034838464 /nfs/dbraw/zinc/83/84/64/1034838464.db2.gz UGFHKQFKNAFPOZ-UHFFFAOYSA-N -1 3 329.381 4.135 20 30 EIEDHM CCc1nocc1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@H]2C ZINC000602343978 1036412717 /nfs/dbraw/zinc/41/27/17/1036412717.db2.gz SALDLNYIMDIMEM-VHSXEESVSA-N -1 3 329.425 4.108 20 30 EIEDHM Cc1ccc([O-])c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 ZINC000603622163 1036906433 /nfs/dbraw/zinc/90/64/33/1036906433.db2.gz MRVKMUWAIUYLJI-UHFFFAOYSA-N -1 3 345.358 4.012 20 30 EIEDHM CC(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3nccs3)sc2C1 ZINC000591005342 1037256551 /nfs/dbraw/zinc/25/65/51/1037256551.db2.gz ZBIOXCDXPIFETF-SNVBAGLBSA-N -1 3 331.466 4.089 20 30 EIEDHM CC(C)(C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1-c1ccccc1 ZINC000488242185 1037451205 /nfs/dbraw/zinc/45/12/05/1037451205.db2.gz GYNPBPCHCRMKJM-INIZCTEOSA-N -1 3 344.418 4.190 20 30 EIEDHM N#CC(=C([O-])c1ccc2c(c1)CCC2)c1nc2cc(F)ccc2s1 ZINC000592974091 1037884988 /nfs/dbraw/zinc/88/49/88/1037884988.db2.gz NEZFWRKWFJHRGN-OAHLLOKOSA-N -1 3 336.391 4.414 20 30 EIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)c(C)o2)cc1 ZINC000128734349 1040518721 /nfs/dbraw/zinc/51/87/21/1040518721.db2.gz HNALVODSGLHHLE-QGZVFWFLSA-N -1 3 338.407 4.200 20 30 EIEDHM COc1cc(Cl)ccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483193647 1040756387 /nfs/dbraw/zinc/75/63/87/1040756387.db2.gz HRTRSNYAWLZAHM-INIZCTEOSA-N -1 3 336.778 4.387 20 30 EIEDHM CCn1nc(C(C)C)cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483222151 1040765119 /nfs/dbraw/zinc/76/51/19/1040765119.db2.gz TVDNSADPXXCRNR-INIZCTEOSA-N -1 3 332.407 4.065 20 30 EIEDHM CCOc1c(F)cccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483216420 1040773371 /nfs/dbraw/zinc/77/33/71/1040773371.db2.gz VHZFBTMOQHEALW-INIZCTEOSA-N -1 3 334.350 4.263 20 30 EIEDHM N#CCc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436590227 1041365163 /nfs/dbraw/zinc/36/51/63/1041365163.db2.gz SFPNVDXBVAPKDC-UHFFFAOYSA-N -1 3 342.398 4.301 20 30 EIEDHM CC1(C)CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H]1C#N ZINC000436914034 1041548334 /nfs/dbraw/zinc/54/83/34/1041548334.db2.gz KDIUTPUCOGGADJ-HXUWFJFHSA-N -1 3 348.446 4.137 20 30 EIEDHM N#Cc1ccc(CN(C(=O)c2cc([O-])c3ccccc3c2)C2CC2)cc1 ZINC000352201266 1043062174 /nfs/dbraw/zinc/06/21/74/1043062174.db2.gz QQPKPEGBAKLMAR-UHFFFAOYSA-N -1 3 342.398 4.222 20 30 EIEDHM COc1cc(C(=O)/C=C/c2ccc(OCC(C)C)cc2)ccc1[O-] ZINC000730151240 1043460761 /nfs/dbraw/zinc/46/07/61/1043460761.db2.gz IONUNIBQJKIZEX-UXBLZVDNSA-N -1 3 326.392 4.332 20 30 EIEDHM N#Cc1ccc(Nc2cc(F)cc(F)c2[O-])c(Br)c1 ZINC001212484232 1043483411 /nfs/dbraw/zinc/48/34/11/1043483411.db2.gz RRLWORRBSLCKSU-UHFFFAOYSA-N -1 3 325.112 4.048 20 30 EIEDHM CC(=NNc1cnnc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000733748049 1044299282 /nfs/dbraw/zinc/29/92/82/1044299282.db2.gz DDGAOBXGMXIXOC-UHFFFAOYSA-N -1 3 328.375 4.325 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1nc(-c2cccc(Cl)c2)no1 ZINC000734303057 1044528445 /nfs/dbraw/zinc/52/84/45/1044528445.db2.gz BTDPXVFQMMFVJA-UFWORHAWSA-N -1 3 348.189 4.368 20 30 EIEDHM CC(C)(C)c1ccc([C@@H](O)C/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000734749724 1044661895 /nfs/dbraw/zinc/66/18/95/1044661895.db2.gz NQPNCJMFJDAIHR-DUQUIBLKSA-N -1 3 331.843 4.496 20 30 EIEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CSc2ccccc21 ZINC000735414791 1044804716 /nfs/dbraw/zinc/80/47/16/1044804716.db2.gz LSCXSTWGMMTQGQ-QOSBVPTNSA-N -1 3 334.238 4.421 20 30 EIEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2cccc(Cl)c2Cl)c1[O-] ZINC000735415352 1044806245 /nfs/dbraw/zinc/80/62/45/1044806245.db2.gz SSFIDPWKLBPNGX-FUGUBPHRSA-N -1 3 339.222 4.075 20 30 EIEDHM CCc1ccccc1NN=Cc1cc(Br)c([O-])c(OC)c1 ZINC000915051690 1045009717 /nfs/dbraw/zinc/00/97/17/1045009717.db2.gz NHXMIIGQNVTLKD-UHFFFAOYSA-N -1 3 349.228 4.172 20 30 EIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2c(cccc2F)s1 ZINC000915100699 1045090777 /nfs/dbraw/zinc/09/07/77/1045090777.db2.gz YXSYKIKBKCLOKQ-GFCCVEGCSA-N -1 3 349.390 4.417 20 30 EIEDHM COc1cc(/C=C\C(=O)C2CCCCC2)cc(Br)c1[O-] ZINC000747003731 1045720541 /nfs/dbraw/zinc/72/05/41/1045720541.db2.gz NAEOYTJUXTYZPP-FPLPWBNLSA-N -1 3 339.229 4.326 20 30 EIEDHM Cc1ncc(CO)c(/C=N/[C@H](CC(C)(C)C)c2ccc(F)cc2)c1[O-] ZINC000915982980 1045855256 /nfs/dbraw/zinc/85/52/56/1045855256.db2.gz LFLJFJIVYJXMHF-TYLRVVQJSA-N -1 3 344.430 4.323 20 30 EIEDHM S=c1[n-]nc(SCc2ccccc2)n1N=C[C@H]1CC=CCC1 ZINC000916368856 1046006576 /nfs/dbraw/zinc/00/65/76/1046006576.db2.gz RPRALIQVTSVTGD-ZDUSSCGKSA-N -1 3 330.482 4.049 20 30 EIEDHM CC(N=Nc1ncc(C(F)(F)F)cc1Cl)c1sccc1[O-] ZINC000769764307 1046059665 /nfs/dbraw/zinc/05/96/65/1046059665.db2.gz MPUGBYZZKBWZIY-UHFFFAOYSA-N -1 3 335.738 4.357 20 30 EIEDHM CCCCCCCCc1nnc([N-]C(=O)c2csnc2C)s1 ZINC000771473584 1046409317 /nfs/dbraw/zinc/40/93/17/1046409317.db2.gz PHZJCVNQRQALKU-UHFFFAOYSA-N -1 3 338.502 4.458 20 30 EIEDHM COc1ccc([C@H](OC)[C@@H](C)/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000771518693 1046434234 /nfs/dbraw/zinc/43/42/34/1046434234.db2.gz AMBHCZHOYGGTGJ-NEVHIAGRSA-N -1 3 333.815 4.249 20 30 EIEDHM N#CC(=C([O-])C=Cc1ccsc1)c1nc2ccccc2n1C(F)F ZINC000917041797 1046570766 /nfs/dbraw/zinc/57/07/66/1046570766.db2.gz WLVGFAKNIOJZSC-FOQNGQEVSA-N -1 3 343.358 4.383 20 30 EIEDHM Cc1nn(-c2ccccc2)c(C)c1[N-]c1nc(Cl)c(C#N)s1 ZINC000787894333 1047063389 /nfs/dbraw/zinc/06/33/89/1047063389.db2.gz KHRXEIUBQPHAMH-UHFFFAOYSA-N -1 3 329.816 4.214 20 30 EIEDHM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1cc(Cl)cc(C)c1[O-] ZINC000807986179 1047565134 /nfs/dbraw/zinc/56/51/34/1047565134.db2.gz SWCDSKLDSDXBLP-UHFFFAOYSA-N -1 3 337.738 4.237 20 30 EIEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cccc(Cl)c1[O-] ZINC000809705176 1048487561 /nfs/dbraw/zinc/48/75/61/1048487561.db2.gz PHWZPICCMKTBPM-UHFFFAOYSA-N -1 3 333.863 4.401 20 30 EIEDHM CCCCCCCCCS(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000844824447 1048526704 /nfs/dbraw/zinc/52/67/04/1048526704.db2.gz ALXOUNNUAKLEPY-UHFFFAOYSA-N -1 3 337.436 4.148 20 30 EIEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ccc(F)c(F)c1 ZINC000920386836 1048664159 /nfs/dbraw/zinc/66/41/59/1048664159.db2.gz GMPVZSMEBWWTJG-QGMBQPNBSA-N -1 3 326.140 4.052 20 30 EIEDHM CCOC(=O)C[C@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000920863843 1048796325 /nfs/dbraw/zinc/79/63/25/1048796325.db2.gz DWDLRWPOUQDAAG-XYHOIZSOSA-N -1 3 349.789 4.298 20 30 EIEDHM N#Cc1ccc(F)c(COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000810607418 1048832014 /nfs/dbraw/zinc/83/20/14/1048832014.db2.gz MKJPBXCNFQTUCW-UHFFFAOYSA-N -1 3 334.759 4.251 20 30 EIEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1CCC2(CCCC2)O1 ZINC000846757025 1048889959 /nfs/dbraw/zinc/88/99/59/1048889959.db2.gz RCGMFHNQZNHPOY-XKYMITNMSA-N -1 3 338.245 4.065 20 30 EIEDHM COc1cc(C(=O)/C=C/c2cscc2C(F)(F)F)ccc1[O-] ZINC000811688287 1049207378 /nfs/dbraw/zinc/20/73/78/1049207378.db2.gz XBIGTHAPOKBXMT-ONEGZZNKSA-N -1 3 328.311 4.377 20 30 EIEDHM C#C[C@H](/N=C/c1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000812444848 1049469218 /nfs/dbraw/zinc/46/92/18/1049469218.db2.gz HKFGAFLLERCFLN-RPJLVFAOSA-N -1 3 332.172 4.087 20 30 EIEDHM CCCCCCCCS(=O)(=O)Nc1ccc(C)c([O-])c1Cl ZINC001188018136 1050680057 /nfs/dbraw/zinc/68/00/57/1050680057.db2.gz VORGOVQNRBXOIW-UHFFFAOYSA-N -1 3 333.881 4.456 20 30 EIEDHM CC(C)c1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c([O-])c1 ZINC001179394123 1050689691 /nfs/dbraw/zinc/68/96/91/1050689691.db2.gz UKAFHRAKPWMXFA-UHFFFAOYSA-N -1 3 348.446 4.407 20 30 EIEDHM C#CCN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCc2ccccc21 ZINC001180295935 1050959378 /nfs/dbraw/zinc/95/93/78/1050959378.db2.gz COHGKBDTNMOOAN-GOSISDBHSA-N -1 3 329.802 4.307 20 30 EIEDHM C=CCC1(S(=O)(=O)[N-]c2ccccc2-c2ccc(Cl)cn2)CC1 ZINC001190815838 1051283198 /nfs/dbraw/zinc/28/31/98/1051283198.db2.gz YLHXQKTYBCYPEM-UHFFFAOYSA-N -1 3 348.855 4.252 20 30 EIEDHM C=C(C)COc1cccc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)c1 ZINC001182569294 1051638502 /nfs/dbraw/zinc/63/85/02/1051638502.db2.gz NVQQKCJSRFMSRD-UHFFFAOYSA-N -1 3 348.402 4.044 20 30 EIEDHM CCCCN([O-])C(=O)CSc1cc(C)c(Br)cc1C ZINC001184314720 1051984606 /nfs/dbraw/zinc/98/46/06/1051984606.db2.gz HYAWLMGRWFRAPY-UHFFFAOYSA-N -1 3 346.290 4.176 20 30 EIEDHM CCCCCCN([O-])C(=O)c1csc(N(C)c2ccccc2)n1 ZINC001184315166 1051984018 /nfs/dbraw/zinc/98/40/18/1051984018.db2.gz RZTKGHZPUJBGEM-UHFFFAOYSA-N -1 3 333.457 4.323 20 30 EIEDHM CCCCCc1cc(C(=O)N([O-])Cc2cccc3ccccc32)n[nH]1 ZINC001184339478 1051996273 /nfs/dbraw/zinc/99/62/73/1051996273.db2.gz DXAPVDYXGVKESB-UHFFFAOYSA-N -1 3 337.423 4.327 20 30 EIEDHM CCCCCCCCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001184928073 1052132284 /nfs/dbraw/zinc/13/22/84/1052132284.db2.gz MJSUZPFQPDMASE-UHFFFAOYSA-N -1 3 337.407 4.133 20 30 EIEDHM N#Cc1cc(F)c([N-]C(=O)c2ccc(C(F)(F)F)o2)c(Cl)c1 ZINC001194417802 1052145064 /nfs/dbraw/zinc/14/50/64/1052145064.db2.gz PWNMMBHKOULYNE-UHFFFAOYSA-N -1 3 332.640 4.215 20 30 EIEDHM C=CCN(Cc1cccc(C#N)c1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775661555 1053430087 /nfs/dbraw/zinc/43/00/87/1053430087.db2.gz MHBBAHBFRKIXCS-UHFFFAOYSA-N -1 3 330.790 4.245 20 30 EIEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cccc(Br)c1 ZINC000794925789 1053756003 /nfs/dbraw/zinc/75/60/03/1053756003.db2.gz CZLBAPDWYUFPGL-XQRVVYSFSA-N -1 3 339.135 4.329 20 30 EIEDHM COc1cc(C(=O)/C=C/c2cnc(C3CCC3)s2)c(OC)cc1[O-] ZINC000122495487 1053983166 /nfs/dbraw/zinc/98/31/66/1053983166.db2.gz QJAILWFCZOOOTP-VOTSOKGWSA-N -1 3 345.420 4.030 20 30 EIEDHM [O-]c1ccc(F)c(C=NNc2ccc(F)cc2Br)c1F ZINC000794489677 1055148004 /nfs/dbraw/zinc/14/80/04/1055148004.db2.gz ABHPHGCMISMEER-UHFFFAOYSA-N -1 3 345.118 4.018 20 30 EIEDHM S=c1[n-]c2ccccc2nc1N=NC1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000863125124 1055148778 /nfs/dbraw/zinc/14/87/78/1055148778.db2.gz NPCBKTLXSZMQEL-CHWSQXEVSA-N -1 3 342.468 4.287 20 30 EIEDHM CCc1cc2c(CSc3ccccc3C#N)cc(=O)oc2cc1[O-] ZINC000741737096 1058352299 /nfs/dbraw/zinc/35/22/99/1058352299.db2.gz WEJPHRBWCHURNP-UHFFFAOYSA-N -1 3 337.400 4.225 20 30 EIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)C1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000742431394 1058626942 /nfs/dbraw/zinc/62/69/42/1058626942.db2.gz HSALVIKHKLOMAB-ZECSTPGPSA-N -1 3 334.350 4.305 20 30 EIEDHM CC(C)(C)c1nc2ccc(N=Cc3ccc(O)c([O-])c3O)cc2s1 ZINC000743044379 1058849309 /nfs/dbraw/zinc/84/93/09/1058849309.db2.gz IMFKKXACYIXKSQ-UHFFFAOYSA-N -1 3 342.420 4.461 20 30 EIEDHM C[C@@H]1CCc2c(C([O-])=C(C#N)c3nc4ccccc4n3C)csc2C1 ZINC000122641074 222128877 /nfs/dbraw/zinc/12/88/77/222128877.db2.gz FLDDOXRTOXTIKJ-TZMCWYRMSA-N -1 3 349.459 4.250 20 30 EIEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CCOC2(CCCC2)C1 ZINC000254976946 1019667633 /nfs/dbraw/zinc/66/76/33/1019667633.db2.gz JAAQHVREVFVSEE-DZBQEORWSA-N -1 3 338.245 4.065 20 30 EIEDHM Cc1cc(C(=O)/C=C\c2cnn(-c3ccc(Cl)cc3)c2)ccc1[O-] ZINC000728231708 1020332335 /nfs/dbraw/zinc/33/23/35/1020332335.db2.gz NVCYBBLKWDNLEY-WAPJZHGLSA-N -1 3 338.794 4.436 20 30 EIEDHM Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1C(=O)NC(C)C ZINC000255052880 1020332500 /nfs/dbraw/zinc/33/25/00/1020332500.db2.gz TULTVRDOAZUEQI-UHFFFAOYSA-N -1 3 330.815 4.243 20 30 EIEDHM COc1cc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)ccc1[O-] ZINC000255101122 1020944248 /nfs/dbraw/zinc/94/42/48/1020944248.db2.gz VODBKYCXRODLIW-NTMALXAHSA-N -1 3 337.400 4.420 20 30 EIEDHM CC(=O)Nc1cccc(N=Cc2cc(Br)ccc2[O-])c1C ZINC000255148213 1021358708 /nfs/dbraw/zinc/35/87/08/1021358708.db2.gz GVZZSZMZLNQBCW-UHFFFAOYSA-N -1 3 347.212 4.172 20 30 EIEDHM CC(C)Oc1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000106353589 1022423829 /nfs/dbraw/zinc/42/38/29/1022423829.db2.gz IZVNCYAWJKONMJ-CQSZACIVSA-N -1 3 348.324 4.378 20 30 EIEDHM C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000659801650 1023285284 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CC(C)(C)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)no1 ZINC000525117112 1029457886 /nfs/dbraw/zinc/45/78/86/1029457886.db2.gz FUPXGBGBAVRDTR-UHFFFAOYSA-N -1 3 329.425 4.036 20 30 EIEDHM COc1c(C)cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1C ZINC000647378646 1030896379 /nfs/dbraw/zinc/89/63/79/1030896379.db2.gz NVWVHRRXWUJULC-AWEZNQCLSA-N -1 3 326.421 4.136 20 30 EIEDHM N#CC(=C([O-])c1ccc(OCC2CC2)cc1)c1nc(C2CC2)cs1 ZINC000647377483 1030901234 /nfs/dbraw/zinc/90/12/34/1030901234.db2.gz NOLMBHSZGOGJPE-INIZCTEOSA-N -1 3 338.432 4.299 20 30 EIEDHM N#CC(=C([O-])c1cc2c(s1)CCCCC2)c1nc2ccccc2[nH]1 ZINC000041496865 1031096034 /nfs/dbraw/zinc/09/60/34/1031096034.db2.gz SWRMSTODVBALTB-CYBMUJFWSA-N -1 3 335.432 4.383 20 30 EIEDHM [O-]c1c(O)ccc(C=Nc2ccc(OCc3ccccc3)cc2)c1O ZINC000255838297 1031245510 /nfs/dbraw/zinc/24/55/10/1031245510.db2.gz ROUYSAPMPURTBS-UHFFFAOYSA-N -1 3 335.359 4.133 20 30 EIEDHM CC[C@H](/N=C\c1cc(Br)ccc1[O-])c1nc(C)cs1 ZINC000729641364 1031825939 /nfs/dbraw/zinc/82/59/39/1031825939.db2.gz 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1036033865 /nfs/dbraw/zinc/03/38/65/1036033865.db2.gz CTULIVJFYWTKGT-UHFFFAOYSA-N -1 3 348.446 4.139 20 30 EIEDHM CCc1nocc1C(=O)[N-]c1sc2c(c1C#N)CCCCCC2 ZINC000602244580 1036369730 /nfs/dbraw/zinc/36/97/30/1036369730.db2.gz GNIWPLSUCHCLBC-UHFFFAOYSA-N -1 3 329.425 4.081 20 30 EIEDHM Cc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1[O-] ZINC000603765443 1036981642 /nfs/dbraw/zinc/98/16/42/1036981642.db2.gz UUVJTTSWUVGTMI-UHFFFAOYSA-N -1 3 345.358 4.012 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N/C1CCC(O)(c2ccccc2)CC1 ZINC000761014988 1038015665 /nfs/dbraw/zinc/01/56/65/1038015665.db2.gz IOWSQZCLBOQGMO-FYJGNVAPSA-N -1 3 329.827 4.295 20 30 EIEDHM CC[C@H](NCc1nc(C(C)(C)C)cs1)c1cccc(C#N)c1[O-] ZINC000924969093 1038770585 /nfs/dbraw/zinc/77/05/85/1038770585.db2.gz HIAOSSRYTDTUBJ-AWEZNQCLSA-N -1 3 329.469 4.259 20 30 EIEDHM CC[C@@H](C)Oc1cc(C([O-])=C(C#N)c2nccc3ccccc32)ccn1 ZINC000483196106 1040757221 /nfs/dbraw/zinc/75/72/21/1040757221.db2.gz CJTDPLRRDBJIEC-KDOFPFPSSA-N -1 3 345.402 4.297 20 30 EIEDHM 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Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc(Cl)n1 ZINC001184234803 1051976363 /nfs/dbraw/zinc/97/63/63/1051976363.db2.gz DBERLVVWMLXEQV-UHFFFAOYSA-N -1 3 345.613 4.382 20 30 EIEDHM N#C[C@]1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC12CCCC2 ZINC001184234929 1051977008 /nfs/dbraw/zinc/97/70/08/1051977008.db2.gz FECRJKOPLGWDAV-INIZCTEOSA-N -1 3 339.222 4.185 20 30 EIEDHM O=C(c1cc(F)c2ncccc2c1)N([O-])Cc1ccccc1Cl ZINC001184283271 1051987866 /nfs/dbraw/zinc/98/78/66/1051987866.db2.gz FHMMJRQKUPCLPK-UHFFFAOYSA-N -1 3 330.746 4.059 20 30 EIEDHM O=C(c1cccc(Oc2ccncc2)c1)N([O-])Cc1ccc(F)cc1 ZINC001184349148 1051997472 /nfs/dbraw/zinc/99/74/72/1051997472.db2.gz WWPMUZOTCUDBNK-UHFFFAOYSA-N -1 3 338.338 4.045 20 30 EIEDHM N#Cc1ccc([O-])c(Nc2cccc3c2cnn3[C@H]2CCCCO2)c1 ZINC001176318337 1052024157 /nfs/dbraw/zinc/02/41/57/1052024157.db2.gz WUQDMWSKDUYJGH-LJQANCHMSA-N -1 3 334.379 4.056 20 30 EIEDHM CC(=O)OCc1cccc(Cl)c1[N-]c1onc(C(C)(C)C)c1C#N ZINC001212774814 1052035997 /nfs/dbraw/zinc/03/59/97/1052035997.db2.gz 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ZINC000794941784 1053817299 /nfs/dbraw/zinc/81/72/99/1053817299.db2.gz XSUUPUWKZHJSOJ-FNORWQNLSA-N -1 3 326.298 4.425 20 30 EIEDHM COc1cc(C(=O)/C=C\c2cccc(OC)c2OC(C)C)ccc1[O-] ZINC000213714989 1053866345 /nfs/dbraw/zinc/86/63/45/1053866345.db2.gz VWGQLFBPASHFSP-NTMALXAHSA-N -1 3 342.391 4.093 20 30 EIEDHM N#Cc1cccc(OCCCCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000552781620 1054190131 /nfs/dbraw/zinc/19/01/31/1054190131.db2.gz OIKLEHGZOXLCNI-UHFFFAOYSA-N -1 3 344.798 4.105 20 30 EIEDHM CCCN(CC)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000124545900 1054542300 /nfs/dbraw/zinc/54/23/00/1054542300.db2.gz JLKPZWHPRAPHHQ-MRXNPFEDSA-N -1 3 327.453 4.178 20 30 EIEDHM N#Cc1c([O-])csc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201474703 1054826748 /nfs/dbraw/zinc/82/67/48/1054826748.db2.gz KYHMPMHQZRMJAM-CVEARBPZSA-N -1 3 337.448 4.058 20 30 EIEDHM CCCCCCCCCCS(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC001201834428 1054929985 /nfs/dbraw/zinc/92/99/85/1054929985.db2.gz OLCKFENTDNRXRX-UHFFFAOYSA-N -1 3 329.510 4.346 20 30 EIEDHM S=c1[n-]c2ccccc2nc1N=NC1CCC2(CCCO2)CC1 ZINC000863128864 1055151236 /nfs/dbraw/zinc/15/12/36/1055151236.db2.gz QTSMPSNZOQNPQG-UHFFFAOYSA-N -1 3 328.441 4.183 20 30 EIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccsc2)cc1 ZINC000131514876 1055242947 /nfs/dbraw/zinc/24/29/47/1055242947.db2.gz VHTDPRUNJNBNJT-LRDDRELGSA-N -1 3 326.421 4.223 20 30 EIEDHM N#Cc1c([N-]C(=O)c2c(F)cc(F)cc2F)sc2c1CCCC2 ZINC000172706505 1056740457 /nfs/dbraw/zinc/74/04/57/1056740457.db2.gz FCCCNROUGDXPGY-UHFFFAOYSA-N -1 3 336.338 4.168 20 30 EIEDHM Cn1ccnc1C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000743045046 1058849808 /nfs/dbraw/zinc/84/98/08/1058849808.db2.gz XCEGVVINRMXSCL-VYZAVGSRSA-N -1 3 339.826 4.182 20 30 EIEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000743045574 1058850105 /nfs/dbraw/zinc/85/01/05/1058850105.db2.gz PHIWPKIXUDQVKR-ZFKRWFGPSA-N -1 3 345.761 4.415 20 30 EIEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2cc(Cl)ccc2Cl)c1[O-] ZINC000745625268 1059858454 /nfs/dbraw/zinc/85/84/54/1059858454.db2.gz UXNVQAUIYCLPSG-SBZQOHANSA-N -1 3 339.222 4.075 20 30 EIEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2cc(Cl)ccc2Cl)c1[O-] ZINC000745625263 1059859212 /nfs/dbraw/zinc/85/92/12/1059859212.db2.gz UXNVQAUIYCLPSG-FUGUBPHRSA-N -1 3 339.222 4.075 20 30 EIEDHM C[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1cccc(-n2cccn2)c1 ZINC000745976500 1059946106 /nfs/dbraw/zinc/94/61/06/1059946106.db2.gz JEVJICHWFVLJME-HMHKGCENSA-N -1 3 325.799 4.411 20 30 EIEDHM CCOc1c(Cl)cc(N=Cc2ccc(O)c([O-])c2O)cc1Cl ZINC000767337630 1061192232 /nfs/dbraw/zinc/19/22/32/1061192232.db2.gz MSRAMOPHAOIYQO-UHFFFAOYSA-N -1 3 342.178 4.260 20 30 EIEDHM C=C(C)CN(CC)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000098068880 219077488 /nfs/dbraw/zinc/07/74/88/219077488.db2.gz XLQMXROKLDBJPU-UHFFFAOYSA-N -1 3 339.464 4.050 20 30 EIEDHM CC(C)(C)c1ccc(NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)c([O-])c1 ZINC000328645432 564137145 /nfs/dbraw/zinc/13/71/45/564137145.db2.gz GKIZUAJWWNBUSG-MAUKXSAKSA-N -1 3 340.423 4.451 20 30 EIEDHM Cc1csc(C(C#N)=C([O-])c2ccccc2CCC(F)(F)F)n1 ZINC000340199967 1020617905 /nfs/dbraw/zinc/61/79/05/1020617905.db2.gz CBEHEHAPFVFWKD-ZDUSSCGKSA-N -1 3 338.354 4.437 20 30 EIEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C1CC1 ZINC000547815544 1020635658 /nfs/dbraw/zinc/63/56/58/1020635658.db2.gz MNBGXIQEVVYYJL-UHFFFAOYSA-N -1 3 349.434 4.033 20 30 EIEDHM C[S@](=O)Cc1ccc(Cl)c(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255120866 1021036867 /nfs/dbraw/zinc/03/68/67/1021036867.db2.gz ZXLZCUXOAXRAGU-NRFANRHFSA-N -1 3 342.247 4.328 20 30 EIEDHM N#C[C@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C1CCCCC1 ZINC000924080421 1021812397 /nfs/dbraw/zinc/81/23/97/1021812397.db2.gz UEXSECKSGSQNFS-ZDUSSCGKSA-N -1 3 333.338 4.130 20 30 EIEDHM N#CC(=C([O-])c1cc2ccc(F)cc2s1)c1nc2ccccc2[nH]1 ZINC000613287410 1021852062 /nfs/dbraw/zinc/85/20/62/1021852062.db2.gz QLZGGZIAEMBPJR-LBPRGKRZSA-N -1 3 335.363 4.407 20 30 EIEDHM N#CC(=C([O-])c1cc(-c2ccccc2)[nH]n1)c1ccc2ccccc2n1 ZINC000613290676 1021853800 /nfs/dbraw/zinc/85/38/00/1021853800.db2.gz JVVCICCZVZRJAC-INIZCTEOSA-N -1 3 338.370 4.115 20 30 EIEDHM Cc1c(N=Cc2cc(Cl)ccc2[O-])cccc1C(=O)N1CCCC1 ZINC000255294935 1023044085 /nfs/dbraw/zinc/04/40/85/1023044085.db2.gz FATGGEJSUMNDLQ-UHFFFAOYSA-N -1 3 342.826 4.341 20 30 EIEDHM COCc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430587762 1023122052 /nfs/dbraw/zinc/12/20/52/1023122052.db2.gz AGVIMJRHKUSTMB-AWEZNQCLSA-N -1 3 328.437 4.077 20 30 EIEDHM C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000659802440 1023285313 /nfs/dbraw/zinc/28/53/13/1023285313.db2.gz WQULOKZVRWRJHV-JRPNMDOOSA-N -1 3 326.223 4.302 20 30 EIEDHM C[C@H](C#N)Oc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1 ZINC000728698215 1023496378 /nfs/dbraw/zinc/49/63/78/1023496378.db2.gz GKQHURZNGUMDJV-OGJMLENDSA-N -1 3 337.350 4.206 20 30 EIEDHM C=CC[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000625703258 1023531423 /nfs/dbraw/zinc/53/14/23/1023531423.db2.gz JPPXEJQDDGAJPH-GFCCVEGCSA-N -1 3 341.436 4.055 20 30 EIEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc(SC(C)C)cc2)c1[O-] ZINC000728786163 1023558500 /nfs/dbraw/zinc/55/85/00/1023558500.db2.gz WJGLHJXUIMHBRI-IMRMQAIZSA-N -1 3 344.480 4.269 20 30 EIEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(SC(C)C)cc2)c1[O-] ZINC000728786161 1023560321 /nfs/dbraw/zinc/56/03/21/1023560321.db2.gz WJGLHJXUIMHBRI-GMECJLQCSA-N -1 3 344.480 4.269 20 30 EIEDHM CCN1C(=O)CCc2cc(N=Cc3cc(Cl)ccc3[O-])ccc21 ZINC000588451419 1024316329 /nfs/dbraw/zinc/31/63/29/1024316329.db2.gz NQOFBRNPEQNAGM-UHFFFAOYSA-N -1 3 328.799 4.095 20 30 EIEDHM CC(=O)Nc1ccc(C)c(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255438574 1025427616 /nfs/dbraw/zinc/42/76/16/1025427616.db2.gz AQQWFZKNLCRBKR-UHFFFAOYSA-N -1 3 347.212 4.172 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H](O)c1cc2ccccc2s1 ZINC000158185854 1026555690 /nfs/dbraw/zinc/55/56/90/1026555690.db2.gz LAILTMYVTAGGDL-OMPOGXFXSA-N -1 3 331.824 4.413 20 30 EIEDHM C=CCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426829961 1026586161 /nfs/dbraw/zinc/58/61/61/1026586161.db2.gz UBDGCTVZPUTTMG-SFHVURJKSA-N -1 3 345.826 4.210 20 30 EIEDHM CC(C)(C)C1CCC(O)(CNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000330498220 1027858543 /nfs/dbraw/zinc/85/85/43/1027858543.db2.gz ZTNNTINXCBVJBQ-UHFFFAOYSA-N -1 3 339.863 4.318 20 30 EIEDHM C=CCCC[C@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000342998451 1027862756 /nfs/dbraw/zinc/86/27/56/1027862756.db2.gz WEDDRERMEVQCNC-ZDUSSCGKSA-N -1 3 340.427 4.024 20 30 EIEDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000329819633 1028130482 /nfs/dbraw/zinc/13/04/82/1028130482.db2.gz GGFXIYFUUCQRJN-UHFFFAOYSA-N -1 3 343.402 4.441 20 30 EIEDHM CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)nc1 ZINC000346245281 1028343907 /nfs/dbraw/zinc/34/39/07/1028343907.db2.gz SCQZGKUEJPTQIP-KRWDZBQOSA-N -1 3 345.402 4.297 20 30 EIEDHM CSc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)ccc1F ZINC000346922205 1028812837 /nfs/dbraw/zinc/81/28/37/1028812837.db2.gz TVRGPBMQIBVKTE-GFCCVEGCSA-N -1 3 339.395 4.222 20 30 EIEDHM CC(=NNc1ccc(Br)cc1C)c1cc(F)ccc1[O-] ZINC000728432959 1029396977 /nfs/dbraw/zinc/39/69/77/1029396977.db2.gz KYNSXHOYZHMSFX-UHFFFAOYSA-N -1 3 337.192 4.438 20 30 EIEDHM CC(=O)Nc1cc(N=Cc2cc(Br)ccc2[O-])ccc1C ZINC000255603510 1030369707 /nfs/dbraw/zinc/36/97/07/1030369707.db2.gz KRCIPPTWWXQLPJ-UHFFFAOYSA-N -1 3 347.212 4.172 20 30 EIEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000128280097 1030470760 /nfs/dbraw/zinc/47/07/60/1030470760.db2.gz WXIVJWYGAUUAAJ-UHFFFAOYSA-N -1 3 332.334 4.322 20 30 EIEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647372464 1030878602 /nfs/dbraw/zinc/87/86/02/1030878602.db2.gz NAUVMPHHXMIDIW-OAHLLOKOSA-N -1 3 326.421 4.298 20 30 EIEDHM N#CC(=C([O-])c1cc2c(s1)CCCCC2)c1nc2ccccc2[nH]1 ZINC000041496862 1031095742 /nfs/dbraw/zinc/09/57/42/1031095742.db2.gz SWRMSTODVBALTB-ZDUSSCGKSA-N -1 3 335.432 4.383 20 30 EIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(Br)cc2C)n1 ZINC000048520424 1031843450 /nfs/dbraw/zinc/84/34/50/1031843450.db2.gz WRLHUFHDUBQQOE-LBPRGKRZSA-N -1 3 335.226 4.013 20 30 EIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3csc(-c4ccoc4)n3)nc21 ZINC000345374779 1035206012 /nfs/dbraw/zinc/20/60/12/1035206012.db2.gz MYHALVVMMCMFTI-LBPRGKRZSA-N -1 3 348.387 4.078 20 30 EIEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)co1 ZINC000588823487 1036508376 /nfs/dbraw/zinc/50/83/76/1036508376.db2.gz NAODJLNOEVBMJG-LLVKDONJSA-N -1 3 343.452 4.320 20 30 EIEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)co1 ZINC000588823488 1036511079 /nfs/dbraw/zinc/51/10/79/1036511079.db2.gz NAODJLNOEVBMJG-NSHDSACASA-N -1 3 343.452 4.320 20 30 EIEDHM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2ccc(C#N)c(F)c2)cc1 ZINC000421816354 1036803827 /nfs/dbraw/zinc/80/38/27/1036803827.db2.gz PRKKDEHOSLBSQD-IBGZPJMESA-N -1 3 340.398 4.126 20 30 EIEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3coc(C4CC4)n3)sc2[C@@H](C)C1 ZINC000590999749 1037253333 /nfs/dbraw/zinc/25/33/33/1037253333.db2.gz CFCRPTQGCNQTTD-UWVGGRQHSA-N -1 3 341.436 4.423 20 30 EIEDHM O=C(CCC(F)(F)F)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000272646954 1037256239 /nfs/dbraw/zinc/25/62/39/1037256239.db2.gz ZVJBQNCGQFRFKR-JTQLQIEISA-N -1 3 335.194 4.027 20 30 EIEDHM CC(C)Cn1cc([N-]c2c(C#N)cccc2[N+](=O)[O-])c(C(F)F)n1 ZINC000425248013 1039931051 /nfs/dbraw/zinc/93/10/51/1039931051.db2.gz PYTCQLDOYMQZFS-UHFFFAOYSA-N -1 3 335.314 4.000 20 30 EIEDHM Cc1ccc([O-])c(CN(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)n1 ZINC000425366460 1040341420 /nfs/dbraw/zinc/34/14/20/1040341420.db2.gz QBVLJSWPZKYUHT-CYBMUJFWSA-N -1 3 349.356 4.029 20 30 EIEDHM N#Cc1cc(C(F)(F)F)cc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205073322 1040445683 /nfs/dbraw/zinc/44/56/83/1040445683.db2.gz JJRAVWZZDGWMCF-UHFFFAOYSA-N -1 3 332.203 4.363 20 30 EIEDHM C=CC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436863183 1041523355 /nfs/dbraw/zinc/52/33/55/1041523355.db2.gz JIDUACOASDUGME-UHFFFAOYSA-N -1 3 335.447 4.216 20 30 EIEDHM CCSc1cccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c1 ZINC000493001723 1042791647 /nfs/dbraw/zinc/79/16/47/1042791647.db2.gz AWULORHWDWNJFL-HNNXBMFYSA-N -1 3 335.432 4.473 20 30 EIEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000507965378 1043209173 /nfs/dbraw/zinc/20/91/73/1043209173.db2.gz JZPBEXUDYRSLQU-UHFFFAOYSA-N -1 3 348.836 4.227 20 30 EIEDHM CCOc1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)ccc1OC ZINC000730590691 1043565541 /nfs/dbraw/zinc/56/55/41/1043565541.db2.gz RRALGMHCIUHEMJ-NASPGAHYSA-N -1 3 342.366 4.322 20 30 EIEDHM O=C(CCC(F)(F)F)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000543131880 1043926771 /nfs/dbraw/zinc/92/67/71/1043926771.db2.gz YBSMAXNHFIIYQP-SNVBAGLBSA-N -1 3 335.194 4.027 20 30 EIEDHM N#CC(=C([O-])C1=Cc2cc(F)ccc2OC1)c1ccc2ccccc2n1 ZINC000762019528 1044864169 /nfs/dbraw/zinc/86/41/69/1044864169.db2.gz VWCOHNRXXBANRK-KRWDZBQOSA-N -1 3 344.345 4.026 20 30 EIEDHM C=CCC[C@@H](C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000429284790 1044895977 /nfs/dbraw/zinc/89/59/77/1044895977.db2.gz LIUVDAJFGFVVEP-OAHLLOKOSA-N -1 3 336.395 4.062 20 30 EIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2c(cccc2F)s1 ZINC000915100701 1045089604 /nfs/dbraw/zinc/08/96/04/1045089604.db2.gz YXSYKIKBKCLOKQ-LBPRGKRZSA-N -1 3 349.390 4.417 20 30 EIEDHM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973478 1045192118 /nfs/dbraw/zinc/19/21/18/1045192118.db2.gz SVCOGZJSYHUORS-UHFFFAOYSA-N -1 3 337.166 4.202 20 30 EIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(Oc3cccnc3)cc2)n1 ZINC000068335909 1045751091 /nfs/dbraw/zinc/75/10/91/1045751091.db2.gz CVPWUEHFDXCNIT-MRXNPFEDSA-N -1 3 335.388 4.129 20 30 EIEDHM CC(C)(C)[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])CCO1 ZINC000763277523 1045805327 /nfs/dbraw/zinc/80/53/27/1045805327.db2.gz NHVUWOSKQUAWEU-WTDYNNMLSA-N -1 3 340.261 4.167 20 30 EIEDHM COc1cc([C@@H](C)/N=C\c2cc(Cl)ccc2[O-])cc(OC)c1OC ZINC000915979681 1045851148 /nfs/dbraw/zinc/85/11/48/1045851148.db2.gz RRMWHGQUFROKEL-BPXUPMHTSA-N -1 3 349.814 4.252 20 30 EIEDHM CCCCOc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000916155950 1045937301 /nfs/dbraw/zinc/93/73/01/1045937301.db2.gz RFEHXUMDSPYPOY-YRNVUSSQSA-N -1 3 326.392 4.476 20 30 EIEDHM Cc1csc(C(C#N)=C([O-])c2cccc(-c3ccccn3)c2C)n1 ZINC000162346892 1046181431 /nfs/dbraw/zinc/18/14/31/1046181431.db2.gz JXGULHADJHVSTC-MRXNPFEDSA-N -1 3 333.416 4.312 20 30 EIEDHM N#CC(=C([O-])C=C1CCSCC1)c1nc2ccccc2n1C(F)F ZINC000772637921 1046680769 /nfs/dbraw/zinc/68/07/69/1046680769.db2.gz AZMKBLIEBZJFGW-GFCCVEGCSA-N -1 3 347.390 4.061 20 30 EIEDHM CCNC(=O)Nc1cccc(N=Cc2cc(Cl)ccc2[O-])c1C ZINC000788316900 1047167023 /nfs/dbraw/zinc/16/70/23/1047167023.db2.gz BTPKTJLIYOHNAX-UHFFFAOYSA-N -1 3 331.803 4.246 20 30 EIEDHM COCC(C)(C)CCC/N=C/c1cc(Br)ccc1[O-] ZINC000806550984 1047298103 /nfs/dbraw/zinc/29/81/03/1047298103.db2.gz PIHCZLQAVJWZKZ-LICLKQGHSA-N -1 3 328.250 4.026 20 30 EIEDHM CC[C@H](C#N)Oc1cccc(CNCc2cccc([O-])c2Cl)c1 ZINC000815126012 1048338020 /nfs/dbraw/zinc/33/80/20/1048338020.db2.gz FAGZRNUMDNGDOH-OAHLLOKOSA-N -1 3 330.815 4.016 20 30 EIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn2cc(Cl)ccc2n1 ZINC000920755227 1048772021 /nfs/dbraw/zinc/77/20/21/1048772021.db2.gz LCZVOXGCTJDNFJ-DAVUEJTQSA-N -1 3 342.757 4.216 20 30 EIEDHM COc1ccccc1[C@@H](C)/N=C\c1cc(Br)ccc1[O-] ZINC000920944655 1048819274 /nfs/dbraw/zinc/81/92/74/1048819274.db2.gz GWJLRTYIQYXABG-IPHDDYSGSA-N -1 3 334.213 4.343 20 30 EIEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1csc(Cl)n1 ZINC000821672894 1049677508 /nfs/dbraw/zinc/67/75/08/1049677508.db2.gz CNKUSPLDDOGVPZ-SECBINFHSA-N -1 3 337.857 4.301 20 30 EIEDHM Cc1c(COC(C)(C)C)cccc1N=Cc1ccc(O)c([O-])c1O ZINC000747864020 1049804101 /nfs/dbraw/zinc/80/41/01/1049804101.db2.gz JBERGDZBRNPITO-UHFFFAOYSA-N -1 3 329.396 4.178 20 30 EIEDHM C=CCN(Cc1ncc(Br)cc1[O-])CC1CCCCC1 ZINC001180292217 1050959690 /nfs/dbraw/zinc/95/96/90/1050959690.db2.gz KHZNJCOMORXUIA-UHFFFAOYSA-N -1 3 339.277 4.118 20 30 EIEDHM Cc1ccc(SCc2cc(=O)[n-]c(-c3ccccc3)n2)c(C#N)c1 ZINC001190003069 1051100706 /nfs/dbraw/zinc/10/07/06/1051100706.db2.gz MKJJYQSGFFCLGF-UHFFFAOYSA-N -1 3 333.416 4.322 20 30 EIEDHM CC(C)n1cccc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000154416940 1051298605 /nfs/dbraw/zinc/29/86/05/1051298605.db2.gz SIZCYSSJNXPJKW-CQSZACIVSA-N -1 3 336.420 4.078 20 30 EIEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)ccc1[O-] ZINC001182365923 1051525367 /nfs/dbraw/zinc/52/53/67/1051525367.db2.gz VGFNLVWZOJZOSP-KGLIPLIRSA-N -1 3 346.308 4.025 20 30 EIEDHM CCCCCCCCCCN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001191790256 1051548315 /nfs/dbraw/zinc/54/83/15/1051548315.db2.gz UWCILRKAPTZRBG-UHFFFAOYSA-N -1 3 346.515 4.291 20 30 EIEDHM CCCCCCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001192829774 1051815802 /nfs/dbraw/zinc/81/58/02/1051815802.db2.gz OKHSBFOGZRJNCZ-UHFFFAOYSA-N -1 3 341.370 4.093 20 30 EIEDHM CC(C)Oc1c(F)c(F)c(Nc2cc(C#N)ccc2[O-])c(F)c1F ZINC001193408994 1051920343 /nfs/dbraw/zinc/92/03/43/1051920343.db2.gz FDPUXYZJXXSGEY-UHFFFAOYSA-N -1 3 340.276 4.351 20 30 EIEDHM O=C(Cc1csc(-c2ccoc2)n1)N([O-])Cc1ccccc1Cl ZINC001184283316 1051987183 /nfs/dbraw/zinc/98/71/83/1051987183.db2.gz GFBGOJLEAIPKKO-UHFFFAOYSA-N -1 3 348.811 4.017 20 30 EIEDHM Cc1nc(C(C)C)ncc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001184339058 1051996710 /nfs/dbraw/zinc/99/67/10/1051996710.db2.gz BTCQHFOIGWYLLC-UHFFFAOYSA-N -1 3 335.407 4.093 20 30 EIEDHM CC#CCS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000166548981 1052099688 /nfs/dbraw/zinc/09/96/88/1052099688.db2.gz WHAFUZINVGKURX-SNVBAGLBSA-N -1 3 330.434 4.062 20 30 EIEDHM COc1cc(N=Cc2cc(Cl)ccc2[O-])c(OC)c(C)c1OC ZINC000794850327 1053555661 /nfs/dbraw/zinc/55/56/61/1053555661.db2.gz ZMLXUGDSTMBGHX-UHFFFAOYSA-N -1 3 335.787 4.130 20 30 EIEDHM COc1cc(C(=O)/C=C\c2c(F)ccc([O-])c2F)ccc1SC ZINC000794933810 1053797425 /nfs/dbraw/zinc/79/74/25/1053797425.db2.gz BKGJLEBBRBLRKU-XQRVVYSFSA-N -1 3 336.359 4.297 20 30 EIEDHM CSc1cccc(C(=O)[N-]c2c(C#N)oc3ccccc32)c1F ZINC001197093700 1053829224 /nfs/dbraw/zinc/82/92/24/1053829224.db2.gz SBVFKSUZWZJCTE-UHFFFAOYSA-N -1 3 326.352 4.418 20 30 EIEDHM CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cccc([O-])c2F)c1 ZINC000872045620 1054358954 /nfs/dbraw/zinc/35/89/54/1054358954.db2.gz QAHNLASBFKMUMR-HIFRSBDPSA-N -1 3 328.387 4.063 20 30 EIEDHM Cc1coc([N-]C(=O)c2cnc(Cl)c(Cl)c2Cl)c1C#N ZINC001199333290 1054394210 /nfs/dbraw/zinc/39/42/10/1054394210.db2.gz VUCYGTXNKAHIFW-UHFFFAOYSA-N -1 3 330.558 4.067 20 30 EIEDHM CC(C)(C)c1nc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)co1 ZINC000875003302 1054752734 /nfs/dbraw/zinc/75/27/34/1054752734.db2.gz PPZJKCXUTWVGEP-UHFFFAOYSA-N -1 3 329.425 4.036 20 30 EIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)oc2C)cc1 ZINC000131487142 1054861363 /nfs/dbraw/zinc/86/13/63/1054861363.db2.gz GGGKQLUBANZEEK-KPZWWZAWSA-N -1 3 338.407 4.371 20 30 EIEDHM S=c1[n-]c2ccccc2nc1N=NC1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000863124845 1055149445 /nfs/dbraw/zinc/14/94/45/1055149445.db2.gz FQWSJEOMWUODSQ-QWHCGFSZSA-N -1 3 342.468 4.287 20 30 EIEDHM CC(C)(C#N)[C@@H]1CCCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863125132 1055149631 /nfs/dbraw/zinc/14/96/31/1055149631.db2.gz NRYOXNBCYMUXEC-LLVKDONJSA-N -1 3 325.441 4.410 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000107417469 1055231398 /nfs/dbraw/zinc/23/13/98/1055231398.db2.gz DXSFTLAASDXOFM-JURJYWISSA-N -1 3 343.732 4.217 20 30 EIEDHM C#CCSc1ccc(COC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001128144561 1056447211 /nfs/dbraw/zinc/44/72/11/1056447211.db2.gz AUIVCPOMDQNRDR-UHFFFAOYSA-N -1 3 332.808 4.128 20 30 EIEDHM CC[C@H](/N=C\c1cc(Br)ccc1[O-])c1nccs1 ZINC000737445073 1058353718 /nfs/dbraw/zinc/35/37/18/1058353718.db2.gz XMIHMSWMRKGAHV-FSKGUYTJSA-N -1 3 325.231 4.181 20 30 EIEDHM CCOc1cc(/C=C2/CCc3c(O)cccc3C2=O)cc(Cl)c1[O-] ZINC000742435066 1058631441 /nfs/dbraw/zinc/63/14/41/1058631441.db2.gz PQHXXVLMHPINRY-WQLSENKSSA-N -1 3 344.794 4.362 20 30 EIEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])c1cccc(C#N)c1 ZINC000743501005 1059027953 /nfs/dbraw/zinc/02/79/53/1059027953.db2.gz BBDADOXUDHSSTE-VSMYLPJWSA-N -1 3 329.197 4.206 20 30 EIEDHM CCO[C@H](CC/N=C\c1cc(Br)ccc1[O-])C(C)C ZINC000746394898 1060275910 /nfs/dbraw/zinc/27/59/10/1060275910.db2.gz SVSLGWLKOIHXFH-DISPHTKASA-N -1 3 328.250 4.025 20 30 EIEDHM CCO[C@@H](CC/N=C/c1cc(Br)ccc1[O-])C(C)C ZINC000746394896 1060276957 /nfs/dbraw/zinc/27/69/57/1060276957.db2.gz SVSLGWLKOIHXFH-ADFUCPMPSA-N -1 3 328.250 4.025 20 30 EIEDHM C[C@@](C#N)(Nc1ccc2c(c1)[N-]C(=S)C2)c1ccccc1Cl ZINC001169391120 1060805831 /nfs/dbraw/zinc/80/58/31/1060805831.db2.gz RCBORMMZOXKBCO-KRWDZBQOSA-N -1 3 327.840 4.486 20 30 EIEDHM N#CC(=C([O-])C=Cc1nc2ccccc2s1)c1nc2ccccc2[nH]1 ZINC000255000793 1019777809 /nfs/dbraw/zinc/77/78/09/1019777809.db2.gz IGVFHDAGVYUXCB-PRDAAYKISA-N -1 3 344.399 4.062 20 30 EIEDHM Cc1cc(C(=O)/C=C/c2ccc(Br)cc2F)ccc1[O-] ZINC000728231139 1020346556 /nfs/dbraw/zinc/34/65/56/1020346556.db2.gz IKPDOVOIDURLCL-XVNBXDOJSA-N -1 3 335.172 4.498 20 30 EIEDHM CCCOc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1OC ZINC000728232995 1020359018 /nfs/dbraw/zinc/35/90/18/1020359018.db2.gz ZYMPFTSAKZDDGR-YVMONPNESA-N -1 3 326.392 4.394 20 30 EIEDHM COc1cccc(/C=C/C(=O)c2ccc([O-])c(C)c2)c1OC(F)F ZINC000728232489 1020372457 /nfs/dbraw/zinc/37/24/57/1020372457.db2.gz UORDUISRVIDEKB-RMKNXTFCSA-N -1 3 334.318 4.207 20 30 EIEDHM C[C@@H]1COCCN1c1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000255137584 1021105586 /nfs/dbraw/zinc/10/55/86/1021105586.db2.gz WJGRAZOBKPZHTL-CYBMUJFWSA-N -1 3 330.815 4.021 20 30 EIEDHM CC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)o1 ZINC000683734959 1021215020 /nfs/dbraw/zinc/21/50/20/1021215020.db2.gz FXSSFCMNCOUBJN-UHFFFAOYSA-N -1 3 342.420 4.327 20 30 EIEDHM COc1cc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)ccc1[O-] ZINC000066255844 1021583512 /nfs/dbraw/zinc/58/35/12/1021583512.db2.gz VODBKYCXRODLIW-CSKARUKUSA-N -1 3 337.400 4.420 20 30 EIEDHM N#C[C@@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C1CCCCC1 ZINC000924080420 1021812810 /nfs/dbraw/zinc/81/28/10/1021812810.db2.gz UEXSECKSGSQNFS-CYBMUJFWSA-N -1 3 333.338 4.130 20 30 EIEDHM CCN(CC)C(=O)c1ccc(C/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000255892637 1022235235 /nfs/dbraw/zinc/23/52/35/1022235235.db2.gz WIAXECXDUYGODB-BKUYFWCQSA-N -1 3 344.842 4.147 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)c1cc2ccccc2s1 ZINC000255335121 1023462155 /nfs/dbraw/zinc/46/21/55/1023462155.db2.gz LAILTMYVTAGGDL-HBFFOVPNSA-N -1 3 331.824 4.413 20 30 EIEDHM CC(=NNc1ccc(OC(F)(F)F)cc1)c1ccc([O-])c(F)c1 ZINC000728425378 1025312244 /nfs/dbraw/zinc/31/22/44/1025312244.db2.gz FNLPIPHWHVFTGK-UHFFFAOYSA-N -1 3 328.265 4.266 20 30 EIEDHM C[C@@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)c2c([O-])cccc21 ZINC000548635002 1025872989 /nfs/dbraw/zinc/87/29/89/1025872989.db2.gz CUSASLLNTPGHRO-LLVKDONJSA-N -1 3 326.783 4.071 20 30 EIEDHM Cc1sc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)c(C#N)c1C ZINC000475008449 1027890819 /nfs/dbraw/zinc/89/08/19/1027890819.db2.gz NQERAQHRDNLHHE-UHFFFAOYSA-N -1 3 341.367 4.283 20 30 EIEDHM Cc1csc(C(C#N)=C([O-])c2cc(Br)cc(C)c2C)n1 ZINC000583451824 1028744444 /nfs/dbraw/zinc/74/44/44/1028744444.db2.gz IQBQIHHCMPRGHJ-ZDUSSCGKSA-N -1 3 349.253 4.321 20 30 EIEDHM CSc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)ccc1F ZINC000346922206 1028813383 /nfs/dbraw/zinc/81/33/83/1028813383.db2.gz TVRGPBMQIBVKTE-LBPRGKRZSA-N -1 3 339.395 4.222 20 30 EIEDHM CCOc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114620340 1029258228 /nfs/dbraw/zinc/25/82/28/1029258228.db2.gz PQKSOOQQPMTWQU-INIZCTEOSA-N -1 3 349.415 4.094 20 30 EIEDHM CCO[C@@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C12CCC2 ZINC000329529118 1029318962 /nfs/dbraw/zinc/31/89/62/1029318962.db2.gz SYUAFCDTWUYGEJ-ZWKOTPCHSA-N -1 3 325.408 4.198 20 30 EIEDHM CC(C)c1noc2nc(C3CC3)cc(C([O-])=C(C#N)c3ccccn3)c21 ZINC000182710081 1029981923 /nfs/dbraw/zinc/98/19/23/1029981923.db2.gz BEJQBTRJHJLYAC-CQSZACIVSA-N -1 3 346.390 4.109 20 30 EIEDHM N#Cc1ccc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000531112980 1030883611 /nfs/dbraw/zinc/88/36/11/1030883611.db2.gz NSMFMOCWLAAGMA-UHFFFAOYSA-N -1 3 328.371 4.107 20 30 EIEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2cccc([O-])c2Br)O1 ZINC001229139888 1031485329 /nfs/dbraw/zinc/48/53/29/1031485329.db2.gz NHIJRFGUCXNADH-CZUORRHYSA-N -1 3 341.245 4.436 20 30 EIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OCCC(C)C)cc2)n1 ZINC000041520620 1031499298 /nfs/dbraw/zinc/49/92/98/1031499298.db2.gz VCEVLEMWVGHVLA-INIZCTEOSA-N -1 3 328.437 4.367 20 30 EIEDHM Cc1nc(C(C)C)ccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000453577127 1032027964 /nfs/dbraw/zinc/02/79/64/1032027964.db2.gz WMGOZXKOXQCWGS-CQSZACIVSA-N -1 3 347.340 4.417 20 30 EIEDHM CCN(C(=O)c1cc(SC)ccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000596905685 1036049512 /nfs/dbraw/zinc/04/95/12/1036049512.db2.gz QYXMYICBKGZNIX-CYBMUJFWSA-N -1 3 340.448 4.209 20 30 EIEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1onc2c1CCCC2 ZINC000597186771 1036152447 /nfs/dbraw/zinc/15/24/47/1036152447.db2.gz LFJHNSDHKOXHNO-GFCCVEGCSA-N -1 3 341.436 4.200 20 30 EIEDHM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2ccc(C#N)c(F)c2)cc1 ZINC000421816355 1036802903 /nfs/dbraw/zinc/80/29/03/1036802903.db2.gz PRKKDEHOSLBSQD-LJQANCHMSA-N -1 3 340.398 4.126 20 30 EIEDHM O=C(CCC(F)(F)F)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000272646956 1037258945 /nfs/dbraw/zinc/25/89/45/1037258945.db2.gz ZVJBQNCGQFRFKR-SNVBAGLBSA-N -1 3 335.194 4.027 20 30 EIEDHM C=CCn1cccc1C([O-])=C(C#N)c1nc(-c2ccccc2)cs1 ZINC000488176105 1037392365 /nfs/dbraw/zinc/39/23/65/1037392365.db2.gz BWJASAFCDAIZRO-OAHLLOKOSA-N -1 3 333.416 4.288 20 30 EIEDHM N#CC(=C([O-])c1cc2ccsc2[nH]1)c1nc2cc(F)ccc2s1 ZINC000592974313 1037882872 /nfs/dbraw/zinc/88/28/72/1037882872.db2.gz QHTSZQGDGCQCGT-JTQLQIEISA-N -1 3 341.392 4.468 20 30 EIEDHM COc1cc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)cc(Cl)c1[O-] ZINC000063874914 1038870007 /nfs/dbraw/zinc/87/00/07/1038870007.db2.gz CRNCUNQAIRCRGO-VOTSOKGWSA-N -1 3 348.830 4.345 20 30 EIEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000476691883 1039838163 /nfs/dbraw/zinc/83/81/63/1039838163.db2.gz PXTVPFTZDQVFEY-LLVKDONJSA-N -1 3 343.452 4.320 20 30 EIEDHM Cc1ccc([O-])c(CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)n1 ZINC000425366665 1040342272 /nfs/dbraw/zinc/34/22/72/1040342272.db2.gz QBVLJSWPZKYUHT-ZDUSSCGKSA-N -1 3 349.356 4.029 20 30 EIEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)oc1C ZINC000128736788 1040517501 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CCCc1nnc([N-]C(=O)c2sc(-c3ccc(C)o3)nc2C)s1 ZINC000031274460 1042894389 /nfs/dbraw/zinc/89/43/89/1042894389.db2.gz MXSGBAMHAYIUBC-UHFFFAOYSA-N -1 3 348.453 4.460 20 30 EIEDHM COc1cc(C(=O)/C=C\c2cccc(OC(F)(F)F)c2)ccc1[O-] ZINC000727976316 1043339918 /nfs/dbraw/zinc/33/99/18/1043339918.db2.gz PTECRJYETIJLBL-ALCCZGGFSA-N -1 3 338.281 4.196 20 30 EIEDHM CCOc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1OC ZINC000730590303 1043561407 /nfs/dbraw/zinc/56/14/07/1043561407.db2.gz MAQCAUSQLZWHFC-GJSJWPQCSA-N -1 3 342.366 4.322 20 30 EIEDHM N#Cc1c([N-]C(=O)c2cnc(-c3ccco3)s2)sc2c1CCC2 ZINC000171426574 1043572811 /nfs/dbraw/zinc/57/28/11/1043572811.db2.gz BLTSZRRPMOGBOQ-UHFFFAOYSA-N -1 3 341.417 4.077 20 30 EIEDHM CCc1nc([C@H](C)/N=C\c2cc(Br)ccc2[O-])cs1 ZINC000731937242 1043850682 /nfs/dbraw/zinc/85/06/82/1043850682.db2.gz HXFKRQYTLYOGIX-JUAVFEPTSA-N -1 3 339.258 4.354 20 30 EIEDHM Cc1ccc(Oc2ccc(N=Cc3ccc(O)c([O-])c3O)cc2)nc1 ZINC000733205244 1044129631 /nfs/dbraw/zinc/12/96/31/1044129631.db2.gz 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FGDYQESNEWZCDF-NTUHNPAUSA-N -1 3 344.794 4.411 20 30 EIEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000920941682 1048815771 /nfs/dbraw/zinc/81/57/71/1048815771.db2.gz LINGFZBCZAAGDM-KUARTLJMSA-N -1 3 342.826 4.353 20 30 EIEDHM C[C@@H](C#N)c1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC001148618222 1049346364 /nfs/dbraw/zinc/34/63/64/1049346364.db2.gz LMQFSAGBZUQISX-JTQLQIEISA-N -1 3 345.196 4.034 20 30 EIEDHM CCc1cnccc1[C@@H](C)/N=C/c1cc(Br)ccc1[O-] ZINC000773150966 1049614084 /nfs/dbraw/zinc/61/40/84/1049614084.db2.gz PDQXYIQNXZFMFZ-VURRPDKYSA-N -1 3 333.229 4.292 20 30 EIEDHM C#CCOc1ccccc1NCc1cc(C)cc(Br)c1[O-] ZINC000775358809 1051126364 /nfs/dbraw/zinc/12/63/64/1051126364.db2.gz ABURYFNCONVMKA-UHFFFAOYSA-N -1 3 346.224 4.087 20 30 EIEDHM CC(C)C[C@@H]1OCCC[C@@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000773905724 1051183161 /nfs/dbraw/zinc/18/31/61/1051183161.db2.gz MHTBGAULLMBDFR-BWVVWKORSA-N -1 3 340.261 4.167 20 30 EIEDHM Cc1cc(SCC(=O)Nc2ccc([O-])c(C#N)c2)c(C)cc1Cl ZINC001181524255 1051255608 /nfs/dbraw/zinc/25/56/08/1051255608.db2.gz YILJMVQPLLSRSQ-UHFFFAOYSA-N -1 3 346.839 4.265 20 30 EIEDHM Cc1cc(C#N)c([N-]C(=O)c2nc(-c3ccccc3)cs2)s1 ZINC001191040508 1051347759 /nfs/dbraw/zinc/34/77/59/1051347759.db2.gz VRCMRJCDBXXUAS-UHFFFAOYSA-N -1 3 325.418 4.304 20 30 EIEDHM N#Cc1cnn(-c2ccc(Cl)cc2)c1Nc1c(F)cc([O-])cc1F ZINC001175098045 1051380818 /nfs/dbraw/zinc/38/08/18/1051380818.db2.gz FYFNCIAPMCYHSR-UHFFFAOYSA-N -1 3 346.724 4.125 20 30 EIEDHM Cc1nc(C#N)c([N-]c2c(F)ccc(OCc3ccccc3)c2F)o1 ZINC001175165834 1051424532 /nfs/dbraw/zinc/42/45/32/1051424532.db2.gz DJNPOVGZBUIVMT-UHFFFAOYSA-N -1 3 341.317 4.456 20 30 EIEDHM [O-]c1ccc(F)c(Nc2nc(F)cc(C(F)(F)F)c2F)c1F ZINC001175263432 1051501365 /nfs/dbraw/zinc/50/13/65/1051501365.db2.gz ULJPADGABLJJAF-UHFFFAOYSA-N -1 3 326.171 4.106 20 30 EIEDHM N#Cc1cccc(Nc2c(F)ccc([O-])c2F)c1Br ZINC001175270057 1051506959 /nfs/dbraw/zinc/50/69/59/1051506959.db2.gz UQMHVNMJHKKSMU-UHFFFAOYSA-N -1 3 325.112 4.048 20 30 EIEDHM CCc1ccc(NC(=O)c2ccc(C#N)cc2C(F)(F)F)c([O-])c1 ZINC001192098524 1051638126 /nfs/dbraw/zinc/63/81/26/1051638126.db2.gz BSVMXMSLTSDONO-UHFFFAOYSA-N -1 3 334.297 4.097 20 30 EIEDHM C=CCC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCC1 ZINC001192572016 1051778301 /nfs/dbraw/zinc/77/83/01/1051778301.db2.gz MAEVBYDVJNKPKG-UHFFFAOYSA-N -1 3 334.268 4.161 20 30 EIEDHM C[C@H](C(=O)Nc1ccc([O-])c(C#N)c1)c1ccc(F)c2ccccc21 ZINC001183506699 1051857760 /nfs/dbraw/zinc/85/77/60/1051857760.db2.gz URJPLIUGUANSJY-LBPRGKRZSA-N -1 3 334.350 4.298 20 30 EIEDHM Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc(C)n1 ZINC001184246852 1051976306 /nfs/dbraw/zinc/97/63/06/1051976306.db2.gz QUJLBVWCNCXKDZ-UHFFFAOYSA-N -1 3 325.195 4.037 20 30 EIEDHM O=C([C@@H]1CC12CCSCC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184236234 1051977384 /nfs/dbraw/zinc/97/73/84/1051977384.db2.gz VUWFDUGOJPTCLS-ZDUSSCGKSA-N -1 3 346.279 4.245 20 30 EIEDHM O=C(c1nccc2occc21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184246812 1051977484 /nfs/dbraw/zinc/97/74/84/1051977484.db2.gz OTRYOAFQNORYRM-UHFFFAOYSA-N -1 3 337.162 4.166 20 30 EIEDHM C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC001184283735 1051987058 /nfs/dbraw/zinc/98/70/58/1051987058.db2.gz PAKLTTSCRXVUGY-SNVBAGLBSA-N -1 3 325.742 4.140 20 30 EIEDHM C[C@@H](C(=O)N([O-])CCCCc1ccccc1)c1ccc(F)c(F)c1 ZINC001184293370 1051989188 /nfs/dbraw/zinc/98/91/88/1051989188.db2.gz QCZOCPBYQOYKBR-CQSZACIVSA-N -1 3 333.378 4.309 20 30 EIEDHM C=CCN(C(=O)c1ccc([O-])cc1C(F)(F)F)C1CCCCC1 ZINC001193746715 1051992532 /nfs/dbraw/zinc/99/25/32/1051992532.db2.gz YSUMXWPVJMNCAC-UHFFFAOYSA-N -1 3 327.346 4.372 20 30 EIEDHM CCCCCCCCCOC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001194920049 1053172687 /nfs/dbraw/zinc/17/26/87/1053172687.db2.gz RJIXWURHRYPNHZ-UHFFFAOYSA-N -1 3 347.415 4.340 20 30 EIEDHM CCCCCCCCCCOC(=O)Nc1cc([O-])cc(C(N)=O)c1 ZINC001194927822 1053173999 /nfs/dbraw/zinc/17/39/99/1053173999.db2.gz ANUQJNXCIUHLJI-UHFFFAOYSA-N -1 3 336.432 4.180 20 30 EIEDHM N#Cc1sccc1[N-]C(=O)c1c(Cl)cc(Cl)nc1Cl ZINC001195909448 1053522514 /nfs/dbraw/zinc/52/25/14/1053522514.db2.gz RMJVSWXCBKEROE-UHFFFAOYSA-N -1 3 332.599 4.227 20 30 EIEDHM N#Cc1cc(NC(=S)Nc2ccccc2C(F)(F)F)ccc1[O-] ZINC001197263671 1053864715 /nfs/dbraw/zinc/86/47/15/1053864715.db2.gz XCEVWKQOSVEACO-UHFFFAOYSA-N -1 3 337.326 4.092 20 30 EIEDHM N#CC(=C([O-])c1cnn(CC2CCCC2)c1)c1ccc2ccccc2n1 ZINC000870121454 1054064319 /nfs/dbraw/zinc/06/43/19/1054064319.db2.gz CQTJAPXNWBQGGI-GOSISDBHSA-N -1 3 344.418 4.112 20 30 EIEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cc(OCC2CCC2)ccn1 ZINC001199535596 1054422375 /nfs/dbraw/zinc/42/23/75/1054422375.db2.gz PXFRSZXYIDHCDJ-UHFFFAOYSA-N -1 3 347.374 4.131 20 30 EIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccs2)cc1 ZINC000131476739 1054785889 /nfs/dbraw/zinc/78/58/89/1054785889.db2.gz VHJKPQVZNYJYGP-DOMZBBRYSA-N -1 3 326.421 4.223 20 30 EIEDHM N#Cc1cc(NCc2c([O-])cccc2Cl)ccc1OC(F)(F)F ZINC001202150521 1055052842 /nfs/dbraw/zinc/05/28/42/1055052842.db2.gz KOHHXKOHOFXBMH-UHFFFAOYSA-N -1 3 342.704 4.428 20 30 EIEDHM CCOc1cc(/C=C2/CCc3scnc3C2=O)cc(Cl)c1[O-] ZINC000863196706 1055157820 /nfs/dbraw/zinc/15/78/20/1055157820.db2.gz RXUHQDVCJXBLMR-YHYXMXQVSA-N -1 3 335.812 4.113 20 30 EIEDHM Cc1cc(NN=Cc2c(F)ccc([O-])c2F)ccc1Br ZINC000794499071 1055162905 /nfs/dbraw/zinc/16/29/05/1055162905.db2.gz WTEGCJWNOLRQCX-UHFFFAOYSA-N -1 3 341.155 4.187 20 30 EIEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000743045575 1058849264 /nfs/dbraw/zinc/84/92/64/1058849264.db2.gz PHIWPKIXUDQVKR-ZHLXBYETSA-N -1 3 345.761 4.415 20 30 EIEDHM CCC(CC)(C/N=C\c1cc(Br)ccc1[O-])SC ZINC000743045266 1058850051 /nfs/dbraw/zinc/85/00/51/1058850051.db2.gz ZRRKOJSZXOCFNA-SXGWCWSVSA-N -1 3 330.291 4.495 20 30 EIEDHM Cc1cc(C(=O)/C=C\c2ccc(Oc3cnccn3)cc2)ccc1[O-] ZINC000743055482 1058851026 /nfs/dbraw/zinc/85/10/26/1058851026.db2.gz DRVPGQQWJWYYJH-YWEYNIOJSA-N -1 3 332.359 4.179 20 30 EIEDHM CCCCCCCC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000744217599 1059335136 /nfs/dbraw/zinc/33/51/36/1059335136.db2.gz CUUKHZIAFFAKFX-UHFFFAOYSA-N -1 3 328.412 4.424 20 30 EIEDHM Cc1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)oc2c1c(C)ccc2C ZINC000057155106 1032095559 /nfs/dbraw/zinc/09/55/59/1032095559.db2.gz DLNSYNMJHZPFOW-UHFFFAOYSA-N -1 3 338.289 4.131 20 30 EIEDHM Cc1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)oc2c1c(C)ccc2C ZINC000057155106 1032095571 /nfs/dbraw/zinc/09/55/71/1032095571.db2.gz DLNSYNMJHZPFOW-UHFFFAOYSA-N -1 3 338.289 4.131 20 30 EIEDHM C=CCn1c(=O)[n-]nc1SCc1nc2ccccc2c2ccccc12 ZINC000532360668 1032151326 /nfs/dbraw/zinc/15/13/26/1032151326.db2.gz TVORXUJEINMVQW-UHFFFAOYSA-N -1 3 348.431 4.163 20 30 EIEDHM CCOCc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)ccc1OC ZINC000728231680 1020331720 /nfs/dbraw/zinc/33/17/20/1020331720.db2.gz NAZDYXCSRRBQIV-VMPITWQZSA-N -1 3 326.392 4.142 20 30 EIEDHM COc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc(Cl)c1OC ZINC000728232481 1020372189 /nfs/dbraw/zinc/37/21/89/1020372189.db2.gz UJISZMZJFUSJAW-XQRVVYSFSA-N -1 3 332.783 4.267 20 30 EIEDHM Cn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c2ccccc21 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20 30 EIEDHM COc1cc(C(=O)/C=C\c2cn(C)nc2C2CCCCC2)ccc1[O-] ZINC000588425339 1023609668 /nfs/dbraw/zinc/60/96/68/1023609668.db2.gz JQMWNEPILJUXKE-KTKRTIGZSA-N -1 3 340.423 4.078 20 30 EIEDHM COc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccc1C ZINC000430644062 1023622892 /nfs/dbraw/zinc/62/28/92/1023622892.db2.gz SVJXVDQQNBBRRL-ZDUSSCGKSA-N -1 3 328.437 4.248 20 30 EIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OC(F)(F)Cl)cc2)n1 ZINC000193801290 1023725907 /nfs/dbraw/zinc/72/59/07/1023725907.db2.gz RFBYVSXSRSLIOO-LLVKDONJSA-N -1 3 342.754 4.110 20 30 EIEDHM CC1(C)COc2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc21 ZINC000584263270 1025090343 /nfs/dbraw/zinc/09/03/43/1025090343.db2.gz NXPWOGOXBYSVCB-CYBMUJFWSA-N -1 3 348.427 4.456 20 30 EIEDHM Cc1sc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C#N)c1C ZINC000005144863 1025352111 /nfs/dbraw/zinc/35/21/11/1025352111.db2.gz BRDBOHBUJLFNSP-UHFFFAOYSA-N -1 3 335.772 4.051 20 30 EIEDHM COC(=O)[C@H](C)Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000758814745 1026213583 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O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)ccc1[O-] ZINC001151753478 1050930124 /nfs/dbraw/zinc/93/01/24/1050930124.db2.gz NEPDPOLKUXKKSL-UHFFFAOYSA-N -1 3 339.700 4.055 20 30 EIEDHM O=C(c1ccc(Cl)nc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184234695 1051976114 /nfs/dbraw/zinc/97/61/14/1051976114.db2.gz AHESEDUTVNTQSL-UHFFFAOYSA-N -1 3 331.586 4.073 20 30 EIEDHM CC(C)C[C@H](C(=O)N([O-])Cc1cccc2ccccc21)n1ccnc1 ZINC001184339554 1051996190 /nfs/dbraw/zinc/99/61/90/1051996190.db2.gz HTHNJPYDHGGNKE-LJQANCHMSA-N -1 3 337.423 4.042 20 30 EIEDHM O=C(c1ccncc1C(F)(F)F)N([O-])Cc1cccc2ccccc21 ZINC001184339838 1051996687 /nfs/dbraw/zinc/99/66/87/1051996687.db2.gz ICAFAIWRRWQTBS-UHFFFAOYSA-N -1 3 346.308 4.285 20 30 EIEDHM Cc1cc(C(=O)N([O-])Cc2cccc3ccccc32)nn1[C@@H](C)C1CC1 ZINC001184341210 1051998509 /nfs/dbraw/zinc/99/85/09/1051998509.db2.gz XCRSRVMYSQLBMH-HNNXBMFYSA-N -1 3 349.434 4.347 20 30 EIEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc(Br)cc1 ZINC000794927172 1053755572 /nfs/dbraw/zinc/75/55/72/1053755572.db2.gz PBLKTEDLHRDQNC-FNORWQNLSA-N -1 3 339.135 4.329 20 30 EIEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc2cc(O)ccc2c1 ZINC000794941783 1053817278 /nfs/dbraw/zinc/81/72/78/1053817278.db2.gz XSUUPUWKZHJSOJ-ALCCZGGFSA-N -1 3 326.298 4.425 20 30 EIEDHM CCCOc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1OC ZINC000213713373 1053864509 /nfs/dbraw/zinc/86/45/09/1053864509.db2.gz WCYLEHDDEQHEQM-YVMONPNESA-N -1 3 342.391 4.094 20 30 EIEDHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201322568 1054756809 /nfs/dbraw/zinc/75/68/09/1054756809.db2.gz OTCXHNZJIIGIRQ-UHFFFAOYSA-N -1 3 342.464 4.101 20 30 EIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccs2)cc1 ZINC000131477168 1054785101 /nfs/dbraw/zinc/78/51/01/1054785101.db2.gz VHJKPQVZNYJYGP-IUODEOHRSA-N -1 3 326.421 4.223 20 30 EIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccs2)cc1 ZINC000131476958 1054786044 /nfs/dbraw/zinc/78/60/44/1054786044.db2.gz VHJKPQVZNYJYGP-WFASDCNBSA-N -1 3 326.421 4.223 20 30 EIEDHM [O-]c1ccc(F)c(C=NNCc2cccc(Cl)c2Cl)c1F 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C[C@@H]1c2c(c([O-])ccc2F)C(=O)C1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000742431390 1058626339 /nfs/dbraw/zinc/62/63/39/1058626339.db2.gz HSALVIKHKLOMAB-LUHPIMIVSA-N -1 3 334.350 4.305 20 30 EIEDHM C[C@@H](/N=C\c1cc(Br)ccc1[O-])c1cccc(C#N)c1 ZINC000743501008 1059028029 /nfs/dbraw/zinc/02/80/29/1059028029.db2.gz BBDADOXUDHSSTE-XEQXHXIFSA-N -1 3 329.197 4.206 20 30 EIEDHM COc1cc(/C=C/C(=O)c2cccc([O-])c2)c(SC)cc1OC ZINC000078052770 602691861 /nfs/dbraw/zinc/69/18/61/602691861.db2.gz PTBRIJRXNFYSOP-BQYQJAHWSA-N -1 3 330.405 4.027 20 30 EIEDHM COc1cc(C(=O)/C=C\c2cnc(C(C)(C)C)s2)c(OC)cc1[O-] ZINC000255013201 1019890471 /nfs/dbraw/zinc/89/04/71/1019890471.db2.gz SUOMQTDQPJWSHV-SREVYHEPSA-N -1 3 347.436 4.060 20 30 EIEDHM CCOc1cc(/C=C/C(=O)c2ccc(O)c(C)c2)cc(Cl)c1[O-] ZINC000728232943 1020360174 /nfs/dbraw/zinc/36/01/74/1020360174.db2.gz YRXMBVZTEWHZJM-GQCTYLIASA-N -1 3 332.783 4.354 20 30 EIEDHM N#Cc1csc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)c1 ZINC000177084310 1020953050 /nfs/dbraw/zinc/95/30/50/1020953050.db2.gz STWXJVFGARHRMT-UHFFFAOYSA-N -1 3 342.367 4.368 20 30 EIEDHM COc1cc(C(=O)/C=C\c2ccc(SC)cc2)c(OC)cc1[O-] ZINC000255199378 1021953196 /nfs/dbraw/zinc/95/31/96/1021953196.db2.gz RRKQAWLFZWBHJD-TWGQIWQCSA-N -1 3 330.405 4.027 20 30 EIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OC3CCCC3)cc2)n1 ZINC000041515615 1022536214 /nfs/dbraw/zinc/53/62/14/1022536214.db2.gz NUCJOTPGIOIJQM-INIZCTEOSA-N -1 3 326.421 4.263 20 30 EIEDHM CCCCCCCC[C@H](C)CC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893212436 1022730055 /nfs/dbraw/zinc/73/00/55/1022730055.db2.gz ZRQXUHDLXODBAR-HNNXBMFYSA-N -1 3 333.476 4.238 20 30 EIEDHM CCN(CC)c1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000219865720 1022790870 /nfs/dbraw/zinc/79/08/70/1022790870.db2.gz XVSDRYGSNTTZHL-WQLSENKSSA-N -1 3 325.408 4.143 20 30 EIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3c(c2)CCOC3)s1 ZINC000659115356 1022845615 /nfs/dbraw/zinc/84/56/15/1022845615.db2.gz WKVYJARASNDEJI-HNNXBMFYSA-N -1 3 340.448 4.003 20 30 EIEDHM [O-]c1c(O)ccc(C=Nc2ccc3nc(C4CC4)sc3c2)c1O ZINC000255292851 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C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1 ZINC000426811291 1026574829 /nfs/dbraw/zinc/57/48/29/1026574829.db2.gz SVACAFFLGMMCOH-SFHVURJKSA-N -1 3 345.826 4.129 20 30 EIEDHM N#CC(=C([O-])c1csc(Cl)c1)c1ccc(C(F)(F)F)cn1 ZINC000342707995 1026870652 /nfs/dbraw/zinc/87/06/52/1026870652.db2.gz YBFYGIITSSXCNL-VIFPVBQESA-N -1 3 330.718 4.305 20 30 EIEDHM CC(C)c1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000121893980 1027172899 /nfs/dbraw/zinc/17/28/99/1027172899.db2.gz NMUMGZUUYYULQZ-CYBMUJFWSA-N -1 3 333.313 4.109 20 30 EIEDHM COc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc(Cl)c1[O-] ZINC000007586663 1027501388 /nfs/dbraw/zinc/50/13/88/1027501388.db2.gz SFNRRNDBXFDODL-RUDMXATFSA-N -1 3 331.799 4.016 20 30 EIEDHM CCO[C@H](C)c1ncc(C(=O)[N-]c2sc(C)c(C)c2C#N)s1 ZINC000443816025 1027928505 /nfs/dbraw/zinc/92/85/05/1027928505.db2.gz LCRIGMNVEFKTJM-SECBINFHSA-N -1 3 335.454 4.043 20 30 EIEDHM N#Cc1sccc1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC001125780801 1030779121 /nfs/dbraw/zinc/77/91/21/1030779121.db2.gz WSJYCUUGRZDNJJ-UHFFFAOYSA-N -1 3 346.824 4.044 20 30 EIEDHM N#CC(=C([O-])c1ccc(OCC2CC2)cc1)c1nc(C2CC2)cs1 ZINC000647377484 1030900305 /nfs/dbraw/zinc/90/03/05/1030900305.db2.gz NOLMBHSZGOGJPE-MRXNPFEDSA-N -1 3 338.432 4.299 20 30 EIEDHM CCCCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1OC ZINC000041520212 1031499762 /nfs/dbraw/zinc/49/97/62/1031499762.db2.gz NURRUIWSKPSQCV-AWEZNQCLSA-N -1 3 344.436 4.129 20 30 EIEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccsc1 ZINC000129671857 1036670315 /nfs/dbraw/zinc/67/03/15/1036670315.db2.gz KRPRFEHZRXCIKP-SNVBAGLBSA-N -1 3 339.203 4.016 20 30 EIEDHM O=C(CCCC(F)(F)F)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000505450733 1039727998 /nfs/dbraw/zinc/72/79/98/1039727998.db2.gz HQYWDTADGSHEAA-NSHDSACASA-N -1 3 349.221 4.417 20 30 EIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)c(C)o2)cc1 ZINC000128765113 1040608782 /nfs/dbraw/zinc/60/87/82/1040608782.db2.gz XAZABECWHZHGJY-PXAZEXFGSA-N -1 3 338.407 4.371 20 30 EIEDHM N#CC(=C([O-])c1ccc2c3c(cccc31)CC2)c1cnc2ccccc2n1 ZINC000483242998 1040780362 /nfs/dbraw/zinc/78/03/62/1040780362.db2.gz LKDRMRDNMJXULZ-SFHVURJKSA-N -1 3 349.393 4.372 20 30 EIEDHM N#CCCCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000161138023 1041028756 /nfs/dbraw/zinc/02/87/56/1041028756.db2.gz PRSXKVNEKFNSSS-UHFFFAOYSA-N -1 3 345.449 4.172 20 30 EIEDHM CC(C)c1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c([O-])c1 ZINC000436579802 1041358009 /nfs/dbraw/zinc/35/80/09/1041358009.db2.gz ZFBSBMYZFGOGID-PMACEKPBSA-N -1 3 348.446 4.428 20 30 EIEDHM N#Cc1ccc([N-]S(=O)(=O)c2csc3ccccc32)c(Cl)c1 ZINC000507890245 1043177303 /nfs/dbraw/zinc/17/73/03/1043177303.db2.gz QNYXTTMZXVIRGJ-UHFFFAOYSA-N -1 3 348.836 4.227 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000730146610 1043457027 /nfs/dbraw/zinc/45/70/27/1043457027.db2.gz BZJGLQKMCXZQEW-SLSPDHCBSA-N -1 3 336.769 4.022 20 30 EIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cnn(-c2ccccc2)c1 ZINC000730589848 1043563478 /nfs/dbraw/zinc/56/34/78/1043563478.db2.gz HMKFRVINNDDJSJ-ZENNRRHLSA-N -1 3 334.350 4.100 20 30 EIEDHM C#CCOc1cccc([C@@H](C)OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000730698907 1043583652 /nfs/dbraw/zinc/58/36/52/1043583652.db2.gz AQGKHODHVVOCIH-GFCCVEGCSA-N -1 3 325.389 4.159 20 30 EIEDHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccccc2CC#N)c(C)c1C ZINC000193356704 1044045951 /nfs/dbraw/zinc/04/59/51/1044045951.db2.gz OARMLDVZYOXOHR-UHFFFAOYSA-N -1 3 342.464 4.096 20 30 EIEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2cccc(Cl)c2Cl)c1[O-] ZINC000735415351 1044804662 /nfs/dbraw/zinc/80/46/62/1044804662.db2.gz SSFIDPWKLBPNGX-FCRYFJGDSA-N -1 3 339.222 4.075 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N\CC1(c2ccccc2)CCOCC1 ZINC000915112824 1045108437 /nfs/dbraw/zinc/10/84/37/1045108437.db2.gz HLDVQTIFRWTIQG-BKUYFWCQSA-N -1 3 329.827 4.213 20 30 EIEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(O)c3[O-])c2)cc1 ZINC000790644731 1045555343 /nfs/dbraw/zinc/55/53/43/1045555343.db2.gz DKDYHQZLRYOKRW-UHFFFAOYSA-N -1 3 346.342 4.014 20 30 EIEDHM CC(=NNCc1ccc(F)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000915977245 1045849062 /nfs/dbraw/zinc/84/90/62/1045849062.db2.gz VVZCTJWVMQMKKM-UHFFFAOYSA-N -1 3 326.346 4.337 20 30 EIEDHM N#CC(=C([O-])C=CSCc1ccco1)c1nccc2ccccc21 ZINC000792100353 1045856468 /nfs/dbraw/zinc/85/64/68/1045856468.db2.gz DPACBOCOUNTROB-YRYLYKBFSA-N -1 3 334.400 4.451 20 30 EIEDHM C[C@H](C#N)Oc1ccccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792305498 1045887504 /nfs/dbraw/zinc/88/75/04/1045887504.db2.gz BYFDOENBCVUEMO-CYBMUJFWSA-N -1 3 332.359 4.089 20 30 EIEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000076961059 1045916892 /nfs/dbraw/zinc/91/68/92/1045916892.db2.gz SKDREZCXOONHGL-WDSKDSINSA-N -1 3 348.687 4.008 20 30 EIEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000076961059 1045916914 /nfs/dbraw/zinc/91/69/14/1045916914.db2.gz SKDREZCXOONHGL-WDSKDSINSA-N -1 3 348.687 4.008 20 30 EIEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000769549736 1046016897 /nfs/dbraw/zinc/01/68/97/1046016897.db2.gz UUYAHSRMXKQWGK-ROUUACIJSA-N -1 3 326.827 4.317 20 30 EIEDHM COc1ccccc1-c1ncc(/C=C/C(=O)c2ccc([O-])c(C)c2)cn1 ZINC000792885934 1046093354 /nfs/dbraw/zinc/09/33/54/1046093354.db2.gz YBRBWKROELIWSP-VQHVLOKHSA-N -1 3 346.386 4.062 20 30 EIEDHM CCc1c(C)sc([N-]C(=O)c2ncoc2-c2ccccc2)c1C#N ZINC000112012953 1046220384 /nfs/dbraw/zinc/22/03/84/1046220384.db2.gz CDWJBDDAADWOSK-UHFFFAOYSA-N -1 3 337.404 4.398 20 30 EIEDHM COc1cc(C(=O)/C=C/c2ccc(F)cc2C(F)(F)F)ccc1[O-] ZINC000771849930 1046512032 /nfs/dbraw/zinc/51/20/32/1046512032.db2.gz JCQMNWOGGGSXDI-ZZXKWVIFSA-N -1 3 340.272 4.455 20 30 EIEDHM CCO[C@@H](C/N=C/c1cc(Br)ccc1[O-])c1ccccc1 ZINC000772156174 1046583603 /nfs/dbraw/zinc/58/36/03/1046583603.db2.gz WQPDAZMHOKGLAU-WAKXPGHKSA-N -1 3 348.240 4.351 20 30 EIEDHM COc1cccc([C@@H](C)/N=C/c2cc(Br)ccc2[O-])c1 ZINC000917558323 1046966326 /nfs/dbraw/zinc/96/63/26/1046966326.db2.gz LKPNYYLBJYOXBI-VDCVXVNISA-N -1 3 334.213 4.343 20 30 EIEDHM COc1cc(/C=C\C(=O)c2ccc(C#N)cc2Cl)cc(Cl)c1[O-] ZINC000788359318 1047175487 /nfs/dbraw/zinc/17/54/87/1047175487.db2.gz AUZFFBWORCZLBY-HYXAFXHYSA-N -1 3 348.185 4.475 20 30 EIEDHM COc1ccc2nc(/C=C/C(=O)c3ccc([O-])c(C)c3)sc2c1 ZINC000788733001 1047296893 /nfs/dbraw/zinc/29/68/93/1047296893.db2.gz LYPFJKNNFDYNKQ-BQYQJAHWSA-N -1 3 325.389 4.215 20 30 EIEDHM COc1ccccc1N1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000747362074 1047375418 /nfs/dbraw/zinc/37/54/18/1047375418.db2.gz LJESSNHZMUJFFR-BKUYFWCQSA-N -1 3 344.842 4.142 20 30 EIEDHM CCCCCCCCc1nnc([N-]C(=O)c2nc(C)oc2C)s1 ZINC000814347491 1047995494 /nfs/dbraw/zinc/99/54/94/1047995494.db2.gz QSPZHLQFMJZRHF-UHFFFAOYSA-N -1 3 336.461 4.298 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N/CC1(c2ccc(F)cc2)CCOCC1 ZINC000920173339 1048571017 /nfs/dbraw/zinc/57/10/17/1048571017.db2.gz CIRMYTWIBFTOCH-WSDLNYQXSA-N -1 3 347.817 4.352 20 30 EIEDHM CCOC(=O)C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000920833537 1048799079 /nfs/dbraw/zinc/79/90/79/1048799079.db2.gz IZTFTBLCZSRMSK-SDLDRHLBSA-N -1 3 331.799 4.159 20 30 EIEDHM C=CCC(F)(F)C(=O)[N-][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000816643745 1048846590 /nfs/dbraw/zinc/84/65/90/1048846590.db2.gz PDJLNODWPBLRPQ-ZDUSSCGKSA-N -1 3 349.299 4.364 20 30 EIEDHM COc1ccc(C#N)cc1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394048 1049051211 /nfs/dbraw/zinc/05/12/11/1049051211.db2.gz JEEMFGYNXFNBRO-UHFFFAOYSA-N -1 3 346.795 4.120 20 30 EIEDHM N#Cc1ccc(/C=C2\Cc3c(cccc3[O-])C2=O)c(C(F)(F)F)c1 ZINC000811689284 1049225392 /nfs/dbraw/zinc/22/53/92/1049225392.db2.gz YQGCDKMGVWZWKE-KPKJPENVSA-N -1 3 329.277 4.105 20 30 EIEDHM Cc1c([O-])ccc2c(CSc3cccc(F)c3C#N)cc(=O)oc12 ZINC000821044487 1049594885 /nfs/dbraw/zinc/59/48/85/1049594885.db2.gz RQMGRZBRFCLQPX-UHFFFAOYSA-N -1 3 341.363 4.110 20 30 EIEDHM CCc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c([O-])c1 ZINC001136667340 1049820716 /nfs/dbraw/zinc/82/07/16/1049820716.db2.gz ZEFCJKWKBSXJEU-SFHVURJKSA-N -1 3 336.435 4.247 20 30 EIEDHM CCc1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1[O-] ZINC001136668067 1049821618 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COc1ccccc1C(C)(C)C(=O)N([O-])CCCCc1ccccc1 ZINC001184293252 1051989831 /nfs/dbraw/zinc/98/98/31/1051989831.db2.gz LQZJQOCMXZWNBV-UHFFFAOYSA-N -1 3 341.451 4.214 20 30 EIEDHM O=C([C@H]1C[C@@]12CCc1ccccc12)N([O-])CCCCc1ccccc1 ZINC001184293521 1051990271 /nfs/dbraw/zinc/99/02/71/1051990271.db2.gz WYWXHZZKFKFACN-IFMALSPDSA-N -1 3 335.447 4.131 20 30 EIEDHM Cc1nccc(C(F)(F)F)c1C(=O)[N-]c1c(C#N)oc2ccccc21 ZINC001185024901 1052146433 /nfs/dbraw/zinc/14/64/33/1052146433.db2.gz MAMPBGDRIQLFEJ-UHFFFAOYSA-N -1 3 345.280 4.279 20 30 EIEDHM [O-]c1ccc(Br)cc1/C=N/CC1(c2ccccn2)CCC1 ZINC000794675473 1053257935 /nfs/dbraw/zinc/25/79/35/1053257935.db2.gz CBRLSGZUTVWCJO-YBFXNURJSA-N -1 3 345.240 4.091 20 30 EIEDHM CCn1c2ccccc2nc1[C@H](C)N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866301172 1053682247 /nfs/dbraw/zinc/68/22/47/1053682247.db2.gz ZLQLLQHOHOPOIX-KGLIPLIRSA-N -1 3 334.423 4.045 20 30 EIEDHM CC(C)C[C@@H]1C[C@@H](/N=C/c2cc(Br)ccc2[O-])CCO1 ZINC000776726633 1053803125 /nfs/dbraw/zinc/80/31/25/1053803125.db2.gz ZFIMOGFHXQGLLJ-UYHBEJOSSA-N -1 3 340.261 4.167 20 30 EIEDHM CCc1cccc(F)c1/C=C\C(=O)c1cc(OC)c([O-])cc1OC ZINC000794941512 1053816098 /nfs/dbraw/zinc/81/60/98/1053816098.db2.gz PZCKZZYBWKSJCL-HJWRWDBZSA-N -1 3 330.355 4.007 20 30 EIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)oc2C)cc1 ZINC000131486946 1054861260 /nfs/dbraw/zinc/86/12/60/1054861260.db2.gz GGGKQLUBANZEEK-KZULUSFZSA-N -1 3 338.407 4.371 20 30 EIEDHM CCCCCCCCCCS(=O)(=O)[N-]c1nc(F)ccc1F ZINC001201833979 1054928953 /nfs/dbraw/zinc/92/89/53/1054928953.db2.gz ILAIYXIWYIQKPI-UHFFFAOYSA-N -1 3 334.432 4.242 20 30 EIEDHM CCCCCCCCCCS(=O)(=O)[N-]c1cccc(F)c1CO ZINC001201835954 1054930047 /nfs/dbraw/zinc/93/00/47/1054930047.db2.gz LVVWBZFKHPFMDA-UHFFFAOYSA-N -1 3 345.480 4.200 20 30 EIEDHM N#Cc1ccc(C2(C(=O)Nc3c([O-])cccc3Cl)CCCC2)cc1 ZINC000861829938 1054992399 /nfs/dbraw/zinc/99/23/99/1054992399.db2.gz MWZPHBKUYXXFTA-UHFFFAOYSA-N -1 3 340.810 4.368 20 30 EIEDHM S=c1[n-]c2ccccc2nc1N=NC1CCC[C@H]([C@H]2CCOC2)C1 ZINC000863124846 1055149662 /nfs/dbraw/zinc/14/96/62/1055149662.db2.gz FQWSJEOMWUODSQ-STQMWFEESA-N -1 3 342.468 4.287 20 30 EIEDHM CC[C@@H](/N=C\c1cc(Br)ccc1[O-])c1nccs1 ZINC000737445075 1058354902 /nfs/dbraw/zinc/35/49/02/1058354902.db2.gz XMIHMSWMRKGAHV-OUZNOSRWSA-N -1 3 325.231 4.181 20 30 EIEDHM CCOc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)cc(Cl)c1[O-] ZINC000742435890 1058631087 /nfs/dbraw/zinc/63/10/87/1058631087.db2.gz BFRFWHLZLQUCAK-UTCJRWHESA-N -1 3 344.794 4.371 20 30 EIEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3cc(Cl)ccc3F)on2)c1 ZINC000471298075 1020737979 /nfs/dbraw/zinc/73/79/79/1020737979.db2.gz MQYSRYUWWLXWOQ-UHFFFAOYSA-N -1 3 341.729 4.258 20 30 EIEDHM N#Cc1cc(Nc2cc(F)c(Br)cc2F)ccc1[O-] ZINC001210529581 1021179868 /nfs/dbraw/zinc/17/98/68/1021179868.db2.gz LCTUKFBZENOYQJ-UHFFFAOYSA-N -1 3 325.112 4.048 20 30 EIEDHM N#Cc1ccccc1Oc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255143287 1021213287 /nfs/dbraw/zinc/21/32/87/1021213287.db2.gz GEPAORKADYVZBN-UHFFFAOYSA-N -1 3 346.342 4.218 20 30 EIEDHM CN(C)[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1[O-])c1cccs1 ZINC000255194721 1021856930 /nfs/dbraw/zinc/85/69/30/1021856930.db2.gz LKIRVADZPRJHNM-WUQDTEKSSA-N -1 3 343.279 4.482 20 30 EIEDHM N#Cc1csc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)c1 ZINC000084095523 1022740266 /nfs/dbraw/zinc/74/02/66/1022740266.db2.gz ZKKUZWVQJUOLBP-UHFFFAOYSA-N -1 3 346.824 4.044 20 30 EIEDHM COCc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430597273 1023187549 /nfs/dbraw/zinc/18/75/49/1023187549.db2.gz ZQDCSZVTGLBSCR-AWEZNQCLSA-N -1 3 328.437 4.077 20 30 EIEDHM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cc(C#N)cs2)cc1 ZINC000417567131 1023361836 /nfs/dbraw/zinc/36/18/36/1023361836.db2.gz JAFXTAWRLYGDLI-KRWDZBQOSA-N -1 3 328.437 4.049 20 30 EIEDHM C=CC[C@@H]1CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000656760374 1023501498 /nfs/dbraw/zinc/50/14/98/1023501498.db2.gz SQSKUKVXSXIDTK-ABAIWWIYSA-N -1 3 328.239 4.407 20 30 EIEDHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCC[C@H]3C)cc2)cc(=O)[n-]1 ZINC000328807787 1023590333 /nfs/dbraw/zinc/59/03/33/1023590333.db2.gz NURQGEOCWGPILC-MLGOLLRUSA-N -1 3 340.427 4.062 20 30 EIEDHM N#CC(=C([O-])C=CSCc1ccco1)c1ccc2ccccc2n1 ZINC000759812478 1023625898 /nfs/dbraw/zinc/62/58/98/1023625898.db2.gz AJIFNXFDLSPTTA-PXUDHTSWSA-N -1 3 334.400 4.451 20 30 EIEDHM CC(C)c1cccc(O[C@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000051266514 1023797834 /nfs/dbraw/zinc/79/78/34/1023797834.db2.gz XLJMFGACKNNZGB-SECBINFHSA-N -1 3 342.321 4.002 20 30 EIEDHM CC(C)c1cccc(O[C@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000051266514 1023797840 /nfs/dbraw/zinc/79/78/40/1023797840.db2.gz XLJMFGACKNNZGB-SECBINFHSA-N -1 3 342.321 4.002 20 30 EIEDHM C=CCN(CC[C@@H](C(=O)[O-])c1ccccc1)Cc1ccccc1F ZINC000652400256 1024809875 /nfs/dbraw/zinc/80/98/75/1024809875.db2.gz GZXMADPJFPJARU-GOSISDBHSA-N -1 3 327.399 4.072 20 30 EIEDHM [O-]c1c(O)ccc(C=Nc2ccccc2COc2ccccc2)c1O ZINC000255415140 1024843635 /nfs/dbraw/zinc/84/36/35/1024843635.db2.gz DISUMRCVNGKGNT-UHFFFAOYSA-N -1 3 335.359 4.133 20 30 EIEDHM N#Cc1ccccc1Sc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000341897393 1024974752 /nfs/dbraw/zinc/97/47/52/1024974752.db2.gz BNVCFVFJYNWIAU-UHFFFAOYSA-N -1 3 347.399 4.062 20 30 EIEDHM CC(C)(C)C(=O)c1ccsc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000151947719 1027639691 /nfs/dbraw/zinc/63/96/91/1027639691.db2.gz OYBGRKUFZRALOL-UHFFFAOYSA-N -1 3 348.374 4.379 20 30 EIEDHM Cc1cc(NCc2ccc([O-])c(F)c2)n2c3ccccc3nc2c1C#N ZINC000523105691 1027720422 /nfs/dbraw/zinc/72/04/22/1027720422.db2.gz OQJLNFWATBPBOB-UHFFFAOYSA-N -1 3 346.365 4.124 20 30 EIEDHM CCC(CC)c1cc(CN[C@H](CC)c2cccc(C#N)c2[O-])on1 ZINC000925155097 1027822510 /nfs/dbraw/zinc/82/25/10/1027822510.db2.gz GYULTTSMIXQPBJ-QGZVFWFLSA-N -1 3 327.428 4.396 20 30 EIEDHM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000041536065 1031500674 /nfs/dbraw/zinc/50/06/74/1031500674.db2.gz PADLNHYZVHJXTG-MRXNPFEDSA-N -1 3 334.400 4.309 20 30 EIEDHM CCN(CC)C(=O)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000032069362 1036442061 /nfs/dbraw/zinc/44/20/61/1036442061.db2.gz WIAXECXDUYGODB-FYJGNVAPSA-N -1 3 344.842 4.147 20 30 EIEDHM Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c([O-])c1 ZINC000603622357 1036903447 /nfs/dbraw/zinc/90/34/47/1036903447.db2.gz UHTMMLAJVCKGMO-UHFFFAOYSA-N -1 3 345.358 4.012 20 30 EIEDHM CCc1c(C)sc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)c1C#N ZINC000089795508 1040378521 /nfs/dbraw/zinc/37/85/21/1040378521.db2.gz WXNUKKATXBABOV-LBPRGKRZSA-N -1 3 347.465 4.051 20 30 EIEDHM N#CC(=C([O-])c1cc(Cl)cc2c1OCC2)c1nccc2ccccc21 ZINC000483220798 1040776971 /nfs/dbraw/zinc/77/69/71/1040776971.db2.gz PMTSIUQRYJKRCM-QGZVFWFLSA-N -1 3 348.789 4.313 20 30 EIEDHM C=C1CCC(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)CC1 ZINC000888264278 1041352465 /nfs/dbraw/zinc/35/24/65/1041352465.db2.gz PVLZUZBGPMAOGR-UHFFFAOYSA-N -1 3 337.423 4.097 20 30 EIEDHM O=C([C@H]1CCOC2(CCCC2)C1)N([O-])Cc1cccc2ccccc21 ZINC000904173430 1041377993 /nfs/dbraw/zinc/37/79/93/1041377993.db2.gz QOIBACPRHFTVED-KRWDZBQOSA-N -1 3 339.435 4.297 20 30 EIEDHM Cc1noc(C)c1[C@@H](C)CC(=O)N([O-])CCCCc1ccccc1 ZINC000904196856 1041383158 /nfs/dbraw/zinc/38/31/58/1041383158.db2.gz JBYHNRCCPVRUKT-AWEZNQCLSA-N -1 3 330.428 4.026 20 30 EIEDHM C=CCN(C(=O)c1cccc(CC)c1[O-])c1nc2c(s1)CCCC2 ZINC000538782076 1041542995 /nfs/dbraw/zinc/54/29/95/1041542995.db2.gz OMMYLBDDUBQSDS-UHFFFAOYSA-N -1 3 342.464 4.123 20 30 EIEDHM O=C(CCCC(F)(F)F)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000542201384 1042333185 /nfs/dbraw/zinc/33/31/85/1042333185.db2.gz MTIKSPIWUWHVHX-LLVKDONJSA-N -1 3 349.221 4.417 20 30 EIEDHM CC(C)c1csc(C(C#N)=C([O-])c2cc3ccccc3n2CC#N)n1 ZINC000673813960 1043078456 /nfs/dbraw/zinc/07/84/56/1043078456.db2.gz JLKBEKRZTXQGGH-AWEZNQCLSA-N -1 3 348.431 4.235 20 30 EIEDHM CCCCC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000727972867 1043338521 /nfs/dbraw/zinc/33/85/21/1043338521.db2.gz IKPZXXURQZXCGC-PPRFWAEMSA-N -1 3 326.440 4.328 20 30 EIEDHM CC(=NNc1ccc(Br)c(C)c1)c1ccc([O-])cc1F ZINC000729932772 1043406379 /nfs/dbraw/zinc/40/63/79/1043406379.db2.gz LMWPMZFXRRYLJN-UHFFFAOYSA-N -1 3 337.192 4.438 20 30 EIEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001212483569 1043469878 /nfs/dbraw/zinc/46/98/78/1043469878.db2.gz WYGMWBKYARAJNQ-VXGBXAGGSA-N -1 3 333.906 4.123 20 30 EIEDHM C#CCOc1cccc([C@H](C)OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000730698909 1043585172 /nfs/dbraw/zinc/58/51/72/1043585172.db2.gz AQGKHODHVVOCIH-LBPRGKRZSA-N -1 3 325.389 4.159 20 30 EIEDHM N#Cc1cc(OC(F)(F)F)ccc1Nc1cc(F)cc(F)c1[O-] ZINC001212491338 1043609170 /nfs/dbraw/zinc/60/91/70/1043609170.db2.gz ONAPMEGBGLAKBK-UHFFFAOYSA-N -1 3 330.212 4.184 20 30 EIEDHM COc1cc(F)c([C@H](C)/N=C/c2cc(Cl)ccc2[O-])cc1OC ZINC000733904124 1044413765 /nfs/dbraw/zinc/41/37/65/1044413765.db2.gz ULSYCAFETJCUKH-YPZZKDGISA-N -1 3 337.778 4.382 20 30 EIEDHM [O-]c1c(Cl)cc(Cl)cc1/C=N/CCN1CCc2ccccc2C1 ZINC000914557570 1044481624 /nfs/dbraw/zinc/48/16/24/1044481624.db2.gz SPTZKHWGAIBICT-SRZZPIQSSA-N -1 3 349.261 4.176 20 30 EIEDHM CCOc1cc(C=NNc2cc(F)c(F)cc2F)cc(Cl)c1[O-] ZINC000734302363 1044527794 /nfs/dbraw/zinc/52/77/94/1044527794.db2.gz BLOZQUOVUCKYHE-UHFFFAOYSA-N -1 3 344.720 4.308 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000734303789 1044528895 /nfs/dbraw/zinc/52/88/95/1044528895.db2.gz ZSXJMTBSNQDTSP-UWVJOHFNSA-N -1 3 348.189 4.368 20 30 EIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000123439348 1044718730 /nfs/dbraw/zinc/71/87/30/1044718730.db2.gz BFAVPFLBLVICRO-ZDUSSCGKSA-N -1 3 335.432 4.004 20 30 EIEDHM COc1cc(C(=O)/C=C/c2ncc(C(C)(C)C)s2)c(OC)cc1[O-] ZINC000790601407 1045544038 /nfs/dbraw/zinc/54/40/38/1045544038.db2.gz UQPJATZZIWEVKY-VOTSOKGWSA-N -1 3 347.436 4.060 20 30 EIEDHM CC(C)(C#N)c1ccccc1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000767996809 1045695986 /nfs/dbraw/zinc/69/59/86/1045695986.db2.gz KZAGMHXMIQWVMK-UHFFFAOYSA-N -1 3 337.206 4.480 20 30 EIEDHM CCCC(=O)Nc1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000915981354 1045853297 /nfs/dbraw/zinc/85/32/97/1045853297.db2.gz AEHQCPQHJWLEOR-UDWIEESQSA-N -1 3 330.815 4.403 20 30 EIEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(C(C)(C)C)cc2)c1[O-] ZINC000915981166 1045853764 /nfs/dbraw/zinc/85/37/64/1045853764.db2.gz NHFFJCBQWGPRHP-BTXKWLAHSA-N -1 3 326.440 4.066 20 30 EIEDHM CC[C@H](C)NC(=O)c1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000915982299 1045855368 /nfs/dbraw/zinc/85/53/68/1045855368.db2.gz WDUSRIPHZFLXBI-XMOVILSBSA-N -1 3 344.842 4.193 20 30 EIEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076961061 1045916736 /nfs/dbraw/zinc/91/67/36/1045916736.db2.gz SKDREZCXOONHGL-PHDIDXHHSA-N -1 3 348.687 4.008 20 30 EIEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076961061 1045916752 /nfs/dbraw/zinc/91/67/52/1045916752.db2.gz SKDREZCXOONHGL-PHDIDXHHSA-N -1 3 348.687 4.008 20 30 EIEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1c([O-])cccc1Cl ZINC000769549760 1046017083 /nfs/dbraw/zinc/01/70/83/1046017083.db2.gz VNHZLBWWYKJTSW-QAPCUYQASA-N -1 3 326.827 4.317 20 30 EIEDHM COc1ccc(NN=C(C)c2ccc([O-])cc2F)c(C(F)(F)F)c1 ZINC000793099773 1046146328 /nfs/dbraw/zinc/14/63/28/1046146328.db2.gz WSGXYWOBAPRJMI-UHFFFAOYSA-N -1 3 342.292 4.395 20 30 EIEDHM N#CC(=C([O-])C=C1CCSCC1)c1nc2ccccc2n1C(F)F ZINC000772637922 1046680421 /nfs/dbraw/zinc/68/04/21/1046680421.db2.gz AZMKBLIEBZJFGW-LBPRGKRZSA-N -1 3 347.390 4.061 20 30 EIEDHM [O-]c1c(O)ccc(C=Nc2cccc(OCCc3ccccc3)c2)c1O ZINC000917559167 1046970228 /nfs/dbraw/zinc/97/02/28/1046970228.db2.gz HNSVWAFDGRIZJM-UHFFFAOYSA-N -1 3 349.386 4.176 20 30 EIEDHM CCCCCCC[C@@H](C)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000919852717 1048148556 /nfs/dbraw/zinc/14/85/56/1048148556.db2.gz SUSPQRGYZSAUKZ-OAHLLOKOSA-N -1 3 328.456 4.255 20 30 EIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])C(F)=CC3CCCCC3)nc21 ZINC000815954565 1048655801 /nfs/dbraw/zinc/65/58/01/1048655801.db2.gz FTIWHQLZFCNHFU-MKRLJBPISA-N -1 3 325.387 4.481 20 30 EIEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C=Cc1cccs1 ZINC000845837143 1048745236 /nfs/dbraw/zinc/74/52/36/1048745236.db2.gz NXQOOUNSKQVXEQ-WBTMPAOCSA-N -1 3 341.457 4.293 20 30 EIEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000920941900 1048815573 /nfs/dbraw/zinc/81/55/73/1048815573.db2.gz XODYPXAXURZYPU-WXYNYTDUSA-N -1 3 344.798 4.182 20 30 EIEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000920941847 1048815871 /nfs/dbraw/zinc/81/58/71/1048815871.db2.gz UMXFKZONYBDNMT-WXYNYTDUSA-N -1 3 344.798 4.182 20 30 EIEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc(Cl)cc2Cl)c1[O-] ZINC000747713362 1049057108 /nfs/dbraw/zinc/05/71/08/1049057108.db2.gz TVNBOYODUDYABN-FCRYFJGDSA-N -1 3 339.222 4.075 20 30 EIEDHM CC(=O)c1cc(Cl)cc(CN2CCCc3cc(C#N)ccc32)c1[O-] ZINC001170662284 1049365534 /nfs/dbraw/zinc/36/55/34/1049365534.db2.gz ZKWFUDLEXIQTBW-UHFFFAOYSA-N -1 3 340.810 4.073 20 30 EIEDHM CCc1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1[O-] ZINC001136668068 1049821785 /nfs/dbraw/zinc/82/17/85/1049821785.db2.gz CBTOOQWVYNGORN-CQSZACIVSA-N -1 3 349.217 4.256 20 30 EIEDHM CCc1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1[O-] ZINC001136673343 1049825015 /nfs/dbraw/zinc/82/50/15/1049825015.db2.gz RBQDLCPMMSHPHU-OAHLLOKOSA-N -1 3 349.217 4.256 20 30 EIEDHM C#Cc1ccccc1C(=O)[N-]c1c(SC)cc(C)nc1SC ZINC001191100067 1051349644 /nfs/dbraw/zinc/34/96/44/1051349644.db2.gz APISJQGCDJDLOR-UHFFFAOYSA-N -1 3 328.462 4.067 20 30 EIEDHM CC#CCCCCCCCC(=O)Nc1cc(F)c([O-])cc1C(=O)OC ZINC001182769339 1051704851 /nfs/dbraw/zinc/70/48/51/1051704851.db2.gz BAHSYPXYLLDAGU-UHFFFAOYSA-N -1 3 349.402 4.010 20 30 EIEDHM CCCCN([O-])C(=O)c1oc2c(cc(Br)cc2C)c1C ZINC001184314825 1051984579 /nfs/dbraw/zinc/98/45/79/1051984579.db2.gz MFXNCYFITFULJF-UHFFFAOYSA-N -1 3 340.217 4.444 20 30 EIEDHM O=C(CCCOCc1ccccc1)N([O-])Cc1ccccc1Cl ZINC001184283034 1051987114 /nfs/dbraw/zinc/98/71/14/1051987114.db2.gz AKCHVHUKEMKEDQ-UHFFFAOYSA-N -1 3 333.815 4.055 20 30 EIEDHM CCCN(CC)c1ccc(C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC001184283349 1051987575 /nfs/dbraw/zinc/98/75/75/1051987575.db2.gz GZQWYTWAYAOOCA-UHFFFAOYSA-N 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/nfs/dbraw/zinc/81/86/87/1053818687.db2.gz DOQQRZOJDQAPKY-IWQZZHSRSA-N -1 3 344.144 4.456 20 30 EIEDHM Nc1c(Cl)cc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1Cl ZINC000794944846 1053819026 /nfs/dbraw/zinc/81/90/26/1053819026.db2.gz DOQQRZOJDQAPKY-HNQUOIGGSA-N -1 3 344.144 4.456 20 30 EIEDHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1c(F)cccc1F ZINC000076638286 1053980816 /nfs/dbraw/zinc/98/08/16/1053980816.db2.gz SOBDYYGSOYPPNG-UHFFFAOYSA-N -1 3 334.713 4.040 20 30 EIEDHM N#Cc1sccc1[N-]C(=O)c1cnc(Cl)c(Cl)c1Cl ZINC001199333497 1054394952 /nfs/dbraw/zinc/39/49/52/1054394952.db2.gz ZARVXOGAVLPAMQ-UHFFFAOYSA-N -1 3 332.599 4.227 20 30 EIEDHM N#Cc1cc(C(F)(F)F)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001201691527 1054889804 /nfs/dbraw/zinc/88/98/04/1054889804.db2.gz LPLTXUJPBWDERH-UHFFFAOYSA-N -1 3 344.296 4.212 20 30 EIEDHM C[C@@H]1CCc2c(C([O-])=C(C#N)c3nc4ccccc4[nH]3)csc2C1 ZINC000072591291 1056432642 /nfs/dbraw/zinc/43/26/42/1056432642.db2.gz XZYMQJQEQNHTSI-YPMHNXCESA-N -1 3 335.432 4.239 20 30 EIEDHM Cc1ccc(N2CCC[C@H](/N=C/c3cc(Cl)ccc3[O-])C2)cc1 ZINC000741845666 1058391969 /nfs/dbraw/zinc/39/19/69/1058391969.db2.gz VGKYISMVFZGZQG-RHLNUJDMSA-N -1 3 328.843 4.442 20 30 EIEDHM Cn1ccnc1C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000743045045 1058849541 /nfs/dbraw/zinc/84/95/41/1058849541.db2.gz XCEGVVINRMXSCL-RIWZNOJBSA-N -1 3 339.826 4.182 20 30 EIEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2cc(Cl)ccc2Cl)c1[O-] ZINC000745625260 1059858860 /nfs/dbraw/zinc/85/88/60/1059858860.db2.gz UXNVQAUIYCLPSG-FCRYFJGDSA-N -1 3 339.222 4.075 20 30 EIEDHM CCOc1cc(C=Nn2c(CC)nc3ccccc32)cc(Cl)c1[O-] ZINC000767373691 1061217801 /nfs/dbraw/zinc/21/78/01/1061217801.db2.gz NARALFHQWAOCHB-UHFFFAOYSA-N -1 3 343.814 4.239 20 30 EIEDHM Cc1cccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1[O-] ZINC000108981621 1019171713 /nfs/dbraw/zinc/17/17/13/1019171713.db2.gz ZFBDMIFBSLJPCF-CYBMUJFWSA-N -1 3 326.421 4.347 20 30 EIEDHM CCOc1c(OC)cc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1OC ZINC000728232023 1020319873 /nfs/dbraw/zinc/31/98/73/1020319873.db2.gz QOPAFGBMUJOVBG-VURMDHGXSA-N -1 3 342.391 4.013 20 30 EIEDHM COc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)ccc1OC(F)F ZINC000728231630 1020333663 /nfs/dbraw/zinc/33/36/63/1020333663.db2.gz MMHNZFHJNMNZNP-ZZXKWVIFSA-N -1 3 334.318 4.207 20 30 EIEDHM COc1cccc(/C=C/C(=O)c2ccc([O-])c(C)c2)c1OC(C)C ZINC000728231211 1020347412 /nfs/dbraw/zinc/34/74/12/1020347412.db2.gz KATNCEIRTYHABX-DHZHZOJOSA-N -1 3 326.392 4.393 20 30 EIEDHM C#CCOc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1OCC ZINC000728232497 1020372643 /nfs/dbraw/zinc/37/26/43/1020372643.db2.gz UXQPGPGOQORTNW-TWGQIWQCSA-N -1 3 336.387 4.007 20 30 EIEDHM Cn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000047371982 1021136656 /nfs/dbraw/zinc/13/66/56/1021136656.db2.gz DEDTUPIOOUTWGB-CYBMUJFWSA-N -1 3 343.308 4.082 20 30 EIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=Cc1ccc(Cl)s1 ZINC000255140173 1021182456 /nfs/dbraw/zinc/18/24/56/1021182456.db2.gz KUNIUXZZOHETLO-VFFGBVLKSA-N -1 3 341.823 4.178 20 30 EIEDHM [O-]c1c(O)ccc(C=Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1O ZINC000255870397 1021343980 /nfs/dbraw/zinc/34/39/80/1021343980.db2.gz FPJQMNCZJIHJJG-UHFFFAOYSA-N -1 3 345.358 4.097 20 30 EIEDHM N#CC(=C([O-])C=Cc1ccc2ccc(Cl)cc2n1)c1ccccn1 ZINC000255872141 1021388348 /nfs/dbraw/zinc/38/83/48/1021388348.db2.gz INJKUUUDUCNAOQ-HLRDLLSLSA-N -1 3 333.778 4.173 20 30 EIEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3cnc(C4CC4)o3)sc2[C@@H](C)C1 ZINC000891172946 1021455122 /nfs/dbraw/zinc/45/51/22/1021455122.db2.gz KACUYNJQVLUIAS-ZJUUUORDSA-N -1 3 341.436 4.423 20 30 EIEDHM C[C@@H]1CCc2sc([N-]C(=O)c3cnc(C4CC4)o3)c(C#N)c2[C@H]1C ZINC000891183879 1021489678 /nfs/dbraw/zinc/48/96/78/1021489678.db2.gz WEMSRTIIHQTSHQ-ZJUUUORDSA-N -1 3 341.436 4.423 20 30 EIEDHM N#CC(=C([O-])c1cncc2ccccc21)c1ccc(C(F)(F)F)cn1 ZINC000340890337 1022889564 /nfs/dbraw/zinc/88/95/64/1022889564.db2.gz ZBLPGGPSFHDBTI-AWEZNQCLSA-N -1 3 341.292 4.139 20 30 EIEDHM C[C@H](CC#N)Sc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417018366 1023113128 /nfs/dbraw/zinc/11/31/28/1023113128.db2.gz 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CCc1nocc1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@H]2C ZINC000602343968 1036412975 /nfs/dbraw/zinc/41/29/75/1036412975.db2.gz SALDLNYIMDIMEM-NXEZZACHSA-N -1 3 329.425 4.108 20 30 EIEDHM CCc1nocc1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C ZINC000602343976 1036413364 /nfs/dbraw/zinc/41/33/64/1036413364.db2.gz SALDLNYIMDIMEM-UWVGGRQHSA-N -1 3 329.425 4.108 20 30 EIEDHM CCCc1nc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)co1 ZINC000273606353 1037524588 /nfs/dbraw/zinc/52/45/88/1037524588.db2.gz MMHJZLACFLETKH-GFCCVEGCSA-N -1 3 329.425 4.274 20 30 EIEDHM COc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c(C)c1 ZINC000608553053 1038848169 /nfs/dbraw/zinc/84/81/69/1038848169.db2.gz NCYHWIMOUGPKHF-AWEZNQCLSA-N -1 3 340.379 4.243 20 30 EIEDHM CCOc1c(F)cccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000608552757 1038849052 /nfs/dbraw/zinc/84/90/52/1038849052.db2.gz GDBSIBWTUXIXJQ-OAHLLOKOSA-N -1 3 334.350 4.263 20 30 EIEDHM COc1c(C)cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1C ZINC000539145349 1038856210 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EIEDHM CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1ccc2ccccc2c1[O-] ZINC000789063740 1047360670 /nfs/dbraw/zinc/36/06/70/1047360670.db2.gz WEBPVLDLGPQVBX-UHFFFAOYSA-N -1 3 343.386 4.223 20 30 EIEDHM Cc1ccc([O-])c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000108241007 1047796407 /nfs/dbraw/zinc/79/64/07/1047796407.db2.gz RIVCOCAUHPPIGO-ZDUSSCGKSA-N -1 3 326.421 4.205 20 30 EIEDHM COCc1ccccc1/C=C(C)/C=C/C(=O)c1ccc([O-])c(OC)c1 ZINC000814187913 1047883408 /nfs/dbraw/zinc/88/34/08/1047883408.db2.gz TVIWSDXGMXKJRV-VBONDNGNSA-N -1 3 338.403 4.390 20 30 EIEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000844652690 1048446632 /nfs/dbraw/zinc/44/66/32/1048446632.db2.gz ALBPKACGXGVLMH-OCCSQVGLSA-N -1 3 343.452 4.043 20 30 EIEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000844652688 1048447299 /nfs/dbraw/zinc/44/72/99/1048447299.db2.gz ALBPKACGXGVLMH-GXTWGEPZSA-N -1 3 343.452 4.043 20 30 EIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])C(F)=CC3CCCCC3)nc21 ZINC000815954564 1048654969 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Cc1c(F)c(F)cc(C(=O)[N-]c2c(F)cc(C#N)cc2Cl)c1F ZINC001148731296 1049363588 /nfs/dbraw/zinc/36/35/88/1049363588.db2.gz XNIKBDZPCDBGIQ-UHFFFAOYSA-N -1 3 342.679 4.329 20 30 EIEDHM N#CC(=C([O-])c1cccc2cc[nH]c21)c1cc(C(F)(F)F)ccn1 ZINC000813212602 1049708202 /nfs/dbraw/zinc/70/82/02/1049708202.db2.gz DGIHZPDKUFDPMN-CYBMUJFWSA-N -1 3 329.281 4.072 20 30 EIEDHM N#CCc1c(F)cccc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168525954 1050097673 /nfs/dbraw/zinc/09/76/73/1050097673.db2.gz NBRJGBXIQNNHOP-UHFFFAOYSA-N -1 3 341.773 4.411 20 30 EIEDHM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cccc(CC#N)c1 ZINC001188659118 1050814116 /nfs/dbraw/zinc/81/41/16/1050814116.db2.gz NXHVBNFHRXRTAX-UHFFFAOYSA-N -1 3 343.477 4.152 20 30 EIEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(Cl)cc1[O-] ZINC001179961654 1050848923 /nfs/dbraw/zinc/84/89/23/1050848923.db2.gz GWZYGLCAQUFQIT-MSOLQXFVSA-N -1 3 326.827 4.317 20 30 EIEDHM Cc1nc(C#N)c([N-]C(=O)Nc2c(Cl)cccc2C(F)(F)F)o1 ZINC001189447856 1050994905 /nfs/dbraw/zinc/99/49/05/1050994905.db2.gz IPVGLKOHESBDBQ-UHFFFAOYSA-N -1 3 344.680 4.171 20 30 EIEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccc(Oc3ccccc3)cc2)o1 ZINC001190400263 1051168217 /nfs/dbraw/zinc/16/82/17/1051168217.db2.gz SPQOTVYOIHTGPL-UHFFFAOYSA-N -1 3 334.335 4.291 20 30 EIEDHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC001190445010 1051174399 /nfs/dbraw/zinc/17/43/99/1051174399.db2.gz LWAXLVYRIXPIRA-UHFFFAOYSA-N -1 3 346.427 4.186 20 30 EIEDHM CC(C)C[C@@H]1OCCC[C@@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000773905726 1051183342 /nfs/dbraw/zinc/18/33/42/1051183342.db2.gz MHTBGAULLMBDFR-UXKHZEQISA-N -1 3 340.261 4.167 20 30 EIEDHM CCCCCCCNC(=O)Nc1cc(Br)ccc1[O-] ZINC001191104887 1051352940 /nfs/dbraw/zinc/35/29/40/1051352940.db2.gz WEKJKLPJXJTOGZ-UHFFFAOYSA-N -1 3 329.238 4.247 20 30 EIEDHM Cc1noc([N-]C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1C#N ZINC001192007602 1051609209 /nfs/dbraw/zinc/60/92/09/1051609209.db2.gz LFWCYKZALWKFAF-UHFFFAOYSA-N -1 3 345.573 4.459 20 30 EIEDHM N#Cc1c([N-]C(=O)c2c(F)ccc(O)c2F)sc2ccccc21 ZINC001192523650 1051749866 /nfs/dbraw/zinc/74/98/66/1051749866.db2.gz FTIQFTPNEUYTMU-UHFFFAOYSA-N -1 3 330.315 4.009 20 30 EIEDHM O=C(N([O-])CCCCc1ccccc1)C1(c2cccc(F)c2)CC1 ZINC001184292994 1051989310 /nfs/dbraw/zinc/98/93/10/1051989310.db2.gz ANBUZRFHEZPXDM-UHFFFAOYSA-N -1 3 327.399 4.098 20 30 EIEDHM O=C([C@@H]1C[C@@]12CCc1ccccc12)N([O-])CCCCc1ccccc1 ZINC001184293523 1051989690 /nfs/dbraw/zinc/98/96/90/1051989690.db2.gz WYWXHZZKFKFACN-RBBKRZOGSA-N -1 3 335.447 4.131 20 30 EIEDHM C[C@H](Oc1ccc(Cl)cc1)C(=O)N([O-])CCCCc1ccccc1 ZINC001184293561 1051989878 /nfs/dbraw/zinc/98/98/78/1051989878.db2.gz YJQVVLDGXXGXIK-HNNXBMFYSA-N -1 3 347.842 4.348 20 30 EIEDHM COc1c(C)cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1C ZINC000180776070 1052815333 /nfs/dbraw/zinc/81/53/33/1052815333.db2.gz PMLFRNULBJLTTQ-AWEZNQCLSA-N -1 3 328.437 4.382 20 30 EIEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc(Br)cn1 ZINC000794833149 1053461069 /nfs/dbraw/zinc/46/10/69/1053461069.db2.gz LDZFIZIVGZRUOS-KKBGLURWSA-N -1 3 339.620 4.383 20 30 EIEDHM N#Cc1ccc2c(c1)CC[C@@H]2/N=C/c1cc(Br)ccc1[O-] ZINC000775739681 1053747514 /nfs/dbraw/zinc/74/75/14/1053747514.db2.gz IPKUWMROCANDED-UWSDUSPXSA-N -1 3 341.208 4.133 20 30 EIEDHM N#CC(=C([O-])c1cnn(CC2CCCC2)c1)c1ccc2ccccc2n1 ZINC000870121455 1054063328 /nfs/dbraw/zinc/06/33/28/1054063328.db2.gz CQTJAPXNWBQGGI-SFHVURJKSA-N -1 3 344.418 4.112 20 30 EIEDHM COc1cc(C)cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1C ZINC000870444158 1054100646 /nfs/dbraw/zinc/10/06/46/1054100646.db2.gz GQRYQQKJRFTZFX-CQSZACIVSA-N -1 3 326.421 4.136 20 30 EIEDHM C=CCc1cc(CN[C@@H](C)c2cccc([O-])c2F)cc(OC)c1OC ZINC000872047242 1054358247 /nfs/dbraw/zinc/35/82/47/1054358247.db2.gz QNFVSMYBXOGYDC-ZDUSSCGKSA-N -1 3 345.414 4.128 20 30 EIEDHM CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc([O-])c2F)c1 ZINC000872045622 1054359233 /nfs/dbraw/zinc/35/92/33/1054359233.db2.gz QAHNLASBFKMUMR-ZFWWWQNUSA-N -1 3 328.387 4.063 20 30 EIEDHM N#Cc1cc(NC(=S)Nc2cc(Cl)cc(Cl)c2)ccc1[O-] ZINC001201000607 1054624213 /nfs/dbraw/zinc/62/42/13/1054624213.db2.gz WJHVBUMWGMEJLQ-UHFFFAOYSA-N -1 3 338.219 4.380 20 30 EIEDHM COC(=O)C(C)(C)c1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000741463483 1058219368 /nfs/dbraw/zinc/21/93/68/1058219368.db2.gz GODHBKYCPCOCDR-UHFFFAOYSA-N -1 3 331.799 4.247 20 30 EIEDHM CCOc1cc(/C=C/C(=O)c2ccc3c(c2)COC3)cc(Cl)c1[O-] ZINC000742435891 1058631624 /nfs/dbraw/zinc/63/16/24/1058631624.db2.gz BFRFWHLZLQUCAK-ZZXKWVIFSA-N -1 3 344.794 4.371 20 30 EIEDHM CCCCn1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1CC ZINC000683221053 1019492633 /nfs/dbraw/zinc/49/26/33/1019492633.db2.gz HAFIYXSDMXNGTP-INIZCTEOSA-N -1 3 346.434 4.284 20 30 EIEDHM Cc1cc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)ccc1[O-] ZINC000728230238 1020320307 /nfs/dbraw/zinc/32/03/07/1020320307.db2.gz CBWRBKOEWRPLLB-DUXPYHPUSA-N -1 3 330.767 4.021 20 30 EIEDHM Cc1cc(C(=O)/C=C/c2cnn(-c3ccc(Cl)cc3)c2)ccc1[O-] ZINC000728231707 1020331868 /nfs/dbraw/zinc/33/18/68/1020331868.db2.gz NVCYBBLKWDNLEY-KRXBUXKQSA-N -1 3 338.794 4.436 20 30 EIEDHM N#Cc1cccc(Oc2ccc(N=Cc3ccc(O)c([O-])c3O)cc2)c1 ZINC000255145530 1021234527 /nfs/dbraw/zinc/23/45/27/1021234527.db2.gz JIRYJDWGSDLAIW-UHFFFAOYSA-N -1 3 346.342 4.218 20 30 EIEDHM CC(C)(C)c1csc([N-]C(=O)c2coc3c2C(=O)CCC3)c1C#N ZINC000891146802 1021356127 /nfs/dbraw/zinc/35/61/27/1021356127.db2.gz YTKVHBPPLHPGQA-UHFFFAOYSA-N -1 3 342.420 4.282 20 30 EIEDHM N#CC(=C([O-])c1cc(-c2ccccc2)[nH]n1)c1ccc2ccccc2n1 ZINC000613290685 1021853573 /nfs/dbraw/zinc/85/35/73/1021853573.db2.gz JVVCICCZVZRJAC-MRXNPFEDSA-N -1 3 338.370 4.115 20 30 EIEDHM CC(C)Oc1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000106353588 1022422645 /nfs/dbraw/zinc/42/26/45/1022422645.db2.gz IZVNCYAWJKONMJ-AWEZNQCLSA-N -1 3 348.324 4.378 20 30 EIEDHM CC[C@@H](F)C(=O)[N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001266644937 1022454648 /nfs/dbraw/zinc/45/46/48/1022454648.db2.gz MYQINYYXJLDBRC-NXEZZACHSA-N -1 3 331.231 4.173 20 30 EIEDHM C[S@@](=O)Cc1cc(N=Cc2cc(Cl)ccc2[O-])ccc1Cl ZINC000255233444 1022636008 /nfs/dbraw/zinc/63/60/08/1022636008.db2.gz LBLLCNQPQPXGHP-OAQYLSRUSA-N -1 3 342.247 4.328 20 30 EIEDHM C=CCOc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430594126 1023165145 /nfs/dbraw/zinc/16/51/45/1023165145.db2.gz FWQCVQPWHSFKDB-HNNXBMFYSA-N -1 3 340.448 4.495 20 30 EIEDHM CCc1oc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cc1C ZINC000162434730 1023360574 /nfs/dbraw/zinc/36/05/74/1023360574.db2.gz WMZGTNYGYZEDEE-MRXNPFEDSA-N -1 3 346.386 4.265 20 30 EIEDHM C=CC[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000656760016 1023502261 /nfs/dbraw/zinc/50/22/61/1023502261.db2.gz NLISUFDBDOMZJP-ABAIWWIYSA-N -1 3 328.239 4.407 20 30 EIEDHM C=CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(C)(C)C ZINC000661756950 1024471067 /nfs/dbraw/zinc/47/10/67/1024471067.db2.gz YNMPRBVRQYJRSA-UHFFFAOYSA-N -1 3 343.452 4.443 20 30 EIEDHM C=CCOc1cccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426796510 1026568592 /nfs/dbraw/zinc/56/85/92/1026568592.db2.gz CJNDAKHVDLJPRZ-GOSISDBHSA-N -1 3 345.826 4.210 20 30 EIEDHM N#CC(=C([O-])C=Cc1cccs1)c1nc2ccccc2n1C(F)F ZINC000051655363 1026592912 /nfs/dbraw/zinc/59/29/12/1026592912.db2.gz PVEZMTFSAAJDLL-GUOLPTJISA-N -1 3 343.358 4.383 20 30 EIEDHM CCCCCCCCC[C@H](C)CC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000278758601 1029821352 /nfs/dbraw/zinc/82/13/52/1029821352.db2.gz NKJAKPHPIBBOQR-INIZCTEOSA-N -1 3 347.503 4.234 20 30 EIEDHM Cc1ccccc1-n1ncc(C([O-])=C(C#N)c2ccccn2)c1C(C)C ZINC000192195971 1030682132 /nfs/dbraw/zinc/68/21/32/1030682132.db2.gz NMHXFLCTWOJZHS-INIZCTEOSA-N -1 3 344.418 4.189 20 30 EIEDHM N#CC(=C([O-])c1ccc(OC(F)F)cc1)c1nc(C2CC2)cs1 ZINC000647371542 1030874659 /nfs/dbraw/zinc/87/46/59/1030874659.db2.gz SLCYBDSBIASTOD-GFCCVEGCSA-N -1 3 334.347 4.112 20 30 EIEDHM CC1(C)Cc2cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)ccc2O1 ZINC000647380314 1030914026 /nfs/dbraw/zinc/91/40/26/1030914026.db2.gz BQEMRLQMMJVSTJ-CQSZACIVSA-N -1 3 338.432 4.224 20 30 EIEDHM Cc1cccnc1C(F)(F)C(=O)[N-]C1(C#N)CCC(C(C)(C)C)CC1 ZINC000192841934 1031770661 /nfs/dbraw/zinc/77/06/61/1031770661.db2.gz KSTJLYAMBMIZMQ-UHFFFAOYSA-N -1 3 349.425 4.097 20 30 EIEDHM Cc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c(C(C)C)n1 ZINC000453571540 1032019987 /nfs/dbraw/zinc/01/99/87/1032019987.db2.gz MOGQZEAATSVNRB-AWEZNQCLSA-N -1 3 347.340 4.417 20 30 EIEDHM N#Cc1c2c(sc1[N-]C(=O)c1coc(C3CC3)n1)CCCCC2 ZINC000614392710 1034531301 /nfs/dbraw/zinc/53/13/01/1034531301.db2.gz KPFKPBKQMRMBHA-UHFFFAOYSA-N -1 3 327.409 4.006 20 30 EIEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1onc2c1CCCC2 ZINC000597179503 1036146557 /nfs/dbraw/zinc/14/65/57/1036146557.db2.gz IQABUXYPYOZRPT-GFCCVEGCSA-N -1 3 341.436 4.057 20 30 EIEDHM CSc1ccc([O-])c(C(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000597690606 1036320980 /nfs/dbraw/zinc/32/09/80/1036320980.db2.gz BQYKZNKKNWKGFT-QGZVFWFLSA-N -1 3 340.448 4.279 20 30 EIEDHM COc1cccc2cc(C([O-])=C(C#N)c3nc4c(cccc4C)[nH]3)oc21 ZINC000605363599 1037773972 /nfs/dbraw/zinc/77/39/72/1037773972.db2.gz NKQFLFXZWZBJOX-ZDUSSCGKSA-N -1 3 345.358 4.116 20 30 EIEDHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc(-c3ccccc3)ccc2C#N)n1 ZINC000488837105 1037776575 /nfs/dbraw/zinc/77/65/75/1037776575.db2.gz JDIKUNXIXVAHNW-ZDUSSCGKSA-N -1 3 348.431 4.278 20 30 EIEDHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(C)c1 ZINC000593187461 1038017276 /nfs/dbraw/zinc/01/72/76/1038017276.db2.gz KQTCBBRXULYNNM-UHFFFAOYSA-N -1 3 342.464 4.214 20 30 EIEDHM C=CCC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000160544723 1040594135 /nfs/dbraw/zinc/59/41/35/1040594135.db2.gz KDWSXNMUXBHTRZ-KRWDZBQOSA-N -1 3 328.387 4.038 20 30 EIEDHM C=CCN(CC(F)(F)F)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436532996 1041316158 /nfs/dbraw/zinc/31/61/58/1041316158.db2.gz LCVMQGBSUBSREM-UHFFFAOYSA-N -1 3 349.352 4.174 20 30 EIEDHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904171078 1041376777 /nfs/dbraw/zinc/37/67/77/1041376777.db2.gz JGJLDTMKHSVHBS-ZDUSSCGKSA-N -1 3 337.423 4.091 20 30 EIEDHM COc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)c(Cl)c1OC ZINC000730437190 1042879008 /nfs/dbraw/zinc/87/90/08/1042879008.db2.gz QULUXCXCBGKANT-XBXARRHUSA-N -1 3 332.783 4.267 20 30 EIEDHM COC(=O)CC[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000729936423 1043406296 /nfs/dbraw/zinc/40/62/96/1043406296.db2.gz BQHXRWUVJDPQSU-SDLDRHLBSA-N -1 3 331.799 4.159 20 30 EIEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001212482265 1043457289 /nfs/dbraw/zinc/45/72/89/1043457289.db2.gz BRZHRBZMEWJXIQ-RISCZKNCSA-N -1 3 348.295 4.407 20 30 EIEDHM N#Cc1ccc(Nc2cc(F)cc(F)c2[O-])c(OC(F)(F)F)c1 ZINC001212486108 1043510862 /nfs/dbraw/zinc/51/08/62/1043510862.db2.gz MJCQWFUNMZUHDN-UHFFFAOYSA-N -1 3 330.212 4.184 20 30 EIEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000730424998 1043514120 /nfs/dbraw/zinc/51/41/20/1043514120.db2.gz LMHGLYVGHXSREA-GFCCVEGCSA-N -1 3 325.389 4.159 20 30 EIEDHM C#CCOc1ccccc1[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000730425000 1043515644 /nfs/dbraw/zinc/51/56/44/1043515644.db2.gz LMHGLYVGHXSREA-LBPRGKRZSA-N -1 3 325.389 4.159 20 30 EIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cnn(-c2ccccc2)c1 ZINC000730589846 1043563247 /nfs/dbraw/zinc/56/32/47/1043563247.db2.gz HMKFRVINNDDJSJ-DGGAMASNSA-N -1 3 334.350 4.100 20 30 EIEDHM CCCCc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000674299307 1043582233 /nfs/dbraw/zinc/58/22/33/1043582233.db2.gz IXVBKOUDFVIITH-MRXNPFEDSA-N -1 3 332.407 4.099 20 30 EIEDHM COc1cc(F)c([C@@H](C)/N=C\c2cc(Cl)ccc2[O-])cc1OC ZINC000733904126 1044414194 /nfs/dbraw/zinc/41/41/94/1044414194.db2.gz ULSYCAFETJCUKH-ZHLXBYETSA-N -1 3 337.778 4.382 20 30 EIEDHM Cc1ncc(CO)c(C=Nc2ccc(SC3CCCC3)cc2)c1[O-] ZINC000914600504 1044563992 /nfs/dbraw/zinc/56/39/92/1044563992.db2.gz WVVDOVHINCWBFF-UHFFFAOYSA-N -1 3 342.464 4.373 20 30 EIEDHM COc1cc(/C=C\C(=O)c2cc(C)ccc2OC)cc(Cl)c1[O-] ZINC000213741915 1045443035 /nfs/dbraw/zinc/44/30/35/1045443035.db2.gz CGHGPBQFKHVOSG-WAYWQWQTSA-N -1 3 332.783 4.267 20 30 EIEDHM COc1cc(C(=O)/C=C\c2ccc(OC(C)C)cc2)c(OC)cc1[O-] ZINC000763106526 1045503217 /nfs/dbraw/zinc/50/32/17/1045503217.db2.gz PVGDLACZKJUEIN-YFHOEESVSA-N -1 3 342.391 4.093 20 30 EIEDHM CC(C)(C)[C@@H]1C[C@@H](/N=C\c2cc(Br)ccc2[O-])CCO1 ZINC000763277520 1045805689 /nfs/dbraw/zinc/80/56/89/1045805689.db2.gz NHVUWOSKQUAWEU-MEYCGPFISA-N -1 3 340.261 4.167 20 30 EIEDHM N#CC(=C([O-])C=CSCc1ccco1)c1nccc2ccccc21 ZINC000792100345 1045856159 /nfs/dbraw/zinc/85/61/59/1045856159.db2.gz DPACBOCOUNTROB-NLZINVLXSA-N -1 3 334.400 4.451 20 30 EIEDHM C=CCN(Cc1cccc(C#N)c1)Cc1c([O-])ccc(Cl)c1F ZINC000792167677 1045872547 /nfs/dbraw/zinc/87/25/47/1045872547.db2.gz YFVATCGRCNXFJC-UHFFFAOYSA-N -1 3 330.790 4.245 20 30 EIEDHM CCOc1cc(C=NNc2ccc(C)cc2)cc(Br)c1[O-] ZINC000916250610 1045971278 /nfs/dbraw/zinc/97/12/78/1045971278.db2.gz MZRMRJJVEKTRIF-UHFFFAOYSA-N -1 3 349.228 4.308 20 30 EIEDHM CCOc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1OC ZINC000080453561 1046620447 /nfs/dbraw/zinc/62/04/47/1046620447.db2.gz AZZHXGHTXOWSDF-CYBMUJFWSA-N -1 3 344.436 4.164 20 30 EIEDHM N#CCCn1cc(/C=C/C(=O)Nc2cccc([O-])c2F)c2ccccc21 ZINC000128473816 1046883308 /nfs/dbraw/zinc/88/33/08/1046883308.db2.gz 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CC(=O)Nc1ccc(C)c(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC001184340017 1051998143 /nfs/dbraw/zinc/99/81/43/1051998143.db2.gz JCCGGPYNRFEGQD-UHFFFAOYSA-N -1 3 348.402 4.138 20 30 EIEDHM Cc1ccc(C(=O)c2ccccc2C([O-])=C(C#N)c2ccccn2)cc1 ZINC000194350976 1053039501 /nfs/dbraw/zinc/03/95/01/1053039501.db2.gz GLARNPIZCMMTSA-LJQANCHMSA-N -1 3 340.382 4.111 20 30 EIEDHM CCOc1cc(C=NNCc2ccccc2Cl)cc(Cl)c1[O-] ZINC000864028927 1053170167 /nfs/dbraw/zinc/17/01/67/1053170167.db2.gz NYCZIQQAKPTONV-UHFFFAOYSA-N -1 3 339.222 4.221 20 30 EIEDHM Cc1cc(Br)c([O-])c(CNc2cc(F)cc(C#N)c2)c1 ZINC000864043016 1053185481 /nfs/dbraw/zinc/18/54/81/1053185481.db2.gz FKRXTEXEFRGQAS-UHFFFAOYSA-N -1 3 335.176 4.086 20 30 EIEDHM COCCCOc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1OC ZINC000794676894 1053260336 /nfs/dbraw/zinc/26/03/36/1053260336.db2.gz QWXQZQSWBLORSV-UHFFFAOYSA-N -1 3 349.814 4.220 20 30 EIEDHM N#Cc1cc(F)c([N-]C(=O)c2nccc(Cl)c2Cl)c(Cl)c1 ZINC001195460005 1053405640 /nfs/dbraw/zinc/40/56/40/1053405640.db2.gz 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20 30 EIEDHM CCOc1cc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cc(Cl)c1[O-] ZINC000776726907 1053802905 /nfs/dbraw/zinc/80/29/05/1053802905.db2.gz QARCHFFGXGBTGU-ZZXKWVIFSA-N -1 3 345.757 4.351 20 30 EIEDHM N#Cc1cc(NC(=S)Nc2cc(Cl)ccc2Cl)ccc1[O-] ZINC001201084104 1054672950 /nfs/dbraw/zinc/67/29/50/1054672950.db2.gz NGCLLHAXWJJYSS-UHFFFAOYSA-N -1 3 338.219 4.380 20 30 EIEDHM COc1cccc(/C=C\C(=O)c2ccc([O-])c(C)c2)c1OC(F)F ZINC000728232490 1020372595 /nfs/dbraw/zinc/37/25/95/1020372595.db2.gz UORDUISRVIDEKB-TWGQIWQCSA-N -1 3 334.318 4.207 20 30 EIEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3cnc(C4CC4)o3)sc2[C@H](C)C1 ZINC000891172943 1021455859 /nfs/dbraw/zinc/45/58/59/1021455859.db2.gz KACUYNJQVLUIAS-NXEZZACHSA-N -1 3 341.436 4.423 20 30 EIEDHM C[C@H]1c2c(C#N)c([N-]C(=O)c3cnc(C4CC4)o3)sc2CC[C@@H]1C ZINC000891183678 1021490778 /nfs/dbraw/zinc/49/07/78/1021490778.db2.gz WEMSRTIIHQTSHQ-VHSXEESVSA-N -1 3 341.436 4.423 20 30 EIEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000613072719 1021689473 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C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1Cl ZINC000426688138 1026476492 /nfs/dbraw/zinc/47/64/92/1026476492.db2.gz URFKWAVLYUVRCK-SFHVURJKSA-N -1 3 345.826 4.129 20 30 EIEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527162622 1030521215 /nfs/dbraw/zinc/52/12/15/1030521215.db2.gz URNHTEIIFBXFBN-UHFFFAOYSA-N -1 3 342.398 4.245 20 30 EIEDHM C=CCN(Cc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000027776497 1031288913 /nfs/dbraw/zinc/28/89/13/1031288913.db2.gz FLIQOGPSLGTXOM-UHFFFAOYSA-N -1 3 345.402 4.270 20 30 EIEDHM CCCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1OCC ZINC000041521246 1031499215 /nfs/dbraw/zinc/49/92/15/1031499215.db2.gz WHKTUJYTVBJXQD-CQSZACIVSA-N -1 3 344.436 4.129 20 30 EIEDHM C[C@@H](c1cccc(N=Cc2cc(Cl)ccc2[O-])c1)N1CCOCC1 ZINC000729148611 1034729161 /nfs/dbraw/zinc/72/91/61/1034729161.db2.gz CKTVURQHSVBVIC-AWEZNQCLSA-N -1 3 344.842 4.189 20 30 EIEDHM C[C@H](c1cccc(N=Cc2cc(Cl)ccc2[O-])c1)N1CCOCC1 ZINC000729148617 1034730130 /nfs/dbraw/zinc/73/01/30/1034730130.db2.gz 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ZINC000489437121 1038045249 /nfs/dbraw/zinc/04/52/49/1038045249.db2.gz VVZVIYZBJKEKBM-GFCCVEGCSA-N -1 3 341.436 4.197 20 30 EIEDHM COc1cc(C(=O)/C=C/c2csc(-c3ccsc3)n2)ccc1[O-] ZINC000063277135 1038156294 /nfs/dbraw/zinc/15/62/94/1038156294.db2.gz OSAYAGYSUVJLOM-HWKANZROSA-N -1 3 343.429 4.482 20 30 EIEDHM CCOc1c(F)cccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000608552756 1038848682 /nfs/dbraw/zinc/84/86/82/1038848682.db2.gz GDBSIBWTUXIXJQ-HNNXBMFYSA-N -1 3 334.350 4.263 20 30 EIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)oc2C)cc1 ZINC000128585824 1039748044 /nfs/dbraw/zinc/74/80/44/1039748044.db2.gz CRZOIVUHHKTASJ-SFHVURJKSA-N -1 3 338.407 4.200 20 30 EIEDHM N#CC(=C([O-])c1ccccc1OC(F)F)c1nccc2ccccc21 ZINC000483198423 1040757170 /nfs/dbraw/zinc/75/71/70/1040757170.db2.gz MJULARUBBRFACJ-HNNXBMFYSA-N -1 3 338.313 4.326 20 30 EIEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3nc4ccccc4s3)on2)c1 ZINC000436243442 1040990150 /nfs/dbraw/zinc/99/01/50/1040990150.db2.gz VYFUUNSUVUQCRP-UHFFFAOYSA-N -1 3 346.371 4.075 20 30 EIEDHM CC(=O)[C@@H]1C[C@H](CC(=O)N([O-])Cc2cccc3ccccc32)C1(C)C ZINC000904170320 1041377127 /nfs/dbraw/zinc/37/71/27/1041377127.db2.gz BKIUQZUMFSHQIX-MJGOQNOKSA-N -1 3 339.435 4.199 20 30 EIEDHM Cc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c([O-])c1 ZINC000436933326 1041563597 /nfs/dbraw/zinc/56/35/97/1041563597.db2.gz BPYWOYLHQHGSQK-UHFFFAOYSA-N -1 3 345.358 4.012 20 30 EIEDHM COc1cc(C(=O)/C=C/c2nc3ccc(F)cc3s2)ccc1[O-] ZINC000761474846 1042551331 /nfs/dbraw/zinc/55/13/31/1042551331.db2.gz BBJXSKBEFYMSKG-VOTSOKGWSA-N -1 3 329.352 4.046 20 30 EIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3cnccc3c2)s1 ZINC000518909485 1042748876 /nfs/dbraw/zinc/74/88/76/1042748876.db2.gz PCPKXFIOXDYELT-HNNXBMFYSA-N -1 3 335.432 4.479 20 30 EIEDHM N#Cc1c2c(sc1[N-]C(=O)c1coc(-c3ccccc3)n1)CCCC2 ZINC000078031947 1043454620 /nfs/dbraw/zinc/45/46/20/1043454620.db2.gz QBCYGBDYUSBVNP-UHFFFAOYSA-N -1 3 349.415 4.406 20 30 EIEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001212482263 1043456395 /nfs/dbraw/zinc/45/63/95/1043456395.db2.gz BRZHRBZMEWJXIQ-BXUZGUMPSA-N -1 3 348.295 4.407 20 30 EIEDHM N#Cc1cc(Br)ccc1Nc1cc(F)cc(F)c1[O-] ZINC001212486236 1043513378 /nfs/dbraw/zinc/51/33/78/1043513378.db2.gz RTWMRCJMIDSUBW-UHFFFAOYSA-N -1 3 325.112 4.048 20 30 EIEDHM CC(C)(C)c1ccc([C@@H](C#N)[N-]C(=O)C(F)(F)c2ccccc2)cc1 ZINC000731198158 1043718396 /nfs/dbraw/zinc/71/83/96/1043718396.db2.gz FJFACTVERLHMNL-QGZVFWFLSA-N -1 3 342.389 4.457 20 30 EIEDHM COc1cc(C(=O)/C=C\c2cc(C(F)(F)F)ccc2F)ccc1[O-] ZINC000733206938 1044154944 /nfs/dbraw/zinc/15/49/44/1044154944.db2.gz SVJSCJRPGRCOSG-KXFIGUGUSA-N -1 3 340.272 4.455 20 30 EIEDHM COc1cccc(N2CCC[C@@H](/N=C\c3cc(Cl)ccc3[O-])C2)c1 ZINC000735229049 1044763013 /nfs/dbraw/zinc/76/30/13/1044763013.db2.gz PMMFVMNOCQQPRV-YQODDJSKSA-N -1 3 344.842 4.142 20 30 EIEDHM COc1cccc(N2CCC[C@@H](/N=C/c3cc(Cl)ccc3[O-])C2)c1 ZINC000735229048 1044764304 /nfs/dbraw/zinc/76/43/04/1044764304.db2.gz PMMFVMNOCQQPRV-SVZNOHIVSA-N -1 3 344.842 4.142 20 30 EIEDHM COc1cc(C(=O)/C=C\c2ccc(Cl)c(F)c2)c(OC)cc1[O-] ZINC000763104876 1045502019 /nfs/dbraw/zinc/50/20/19/1045502019.db2.gz HFGNNUNZZRHWIM-XQRVVYSFSA-N -1 3 336.746 4.098 20 30 EIEDHM N#Cc1c2c(sc1[N-]C(=O)c1coc(C3CCC3)n1)CCCCC2 ZINC000193812488 1045506186 /nfs/dbraw/zinc/50/61/86/1045506186.db2.gz KSMAIWOXSVIEER-UHFFFAOYSA-N -1 3 341.436 4.396 20 30 EIEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076961058 1045919122 /nfs/dbraw/zinc/91/91/22/1045919122.db2.gz SKDREZCXOONHGL-RITPCOANSA-N -1 3 348.687 4.008 20 30 EIEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076961058 1045919138 /nfs/dbraw/zinc/91/91/38/1045919138.db2.gz SKDREZCXOONHGL-RITPCOANSA-N -1 3 348.687 4.008 20 30 EIEDHM CCOc1cc(C=NNc2ccc(F)cc2F)cc(Cl)c1[O-] ZINC000916250739 1045971873 /nfs/dbraw/zinc/97/18/73/1045971873.db2.gz JHBQSIXOZIQAMX-UHFFFAOYSA-N -1 3 326.730 4.169 20 30 EIEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1c([O-])cccc1Cl ZINC000769549759 1046015095 /nfs/dbraw/zinc/01/50/95/1046015095.db2.gz VNHZLBWWYKJTSW-MAUKXSAKSA-N -1 3 326.827 4.317 20 30 EIEDHM N#Cc1cnc(C(=O)[N-]c2ccccc2SC(F)F)c(Cl)c1 ZINC000770057904 1046129342 /nfs/dbraw/zinc/12/93/42/1046129342.db2.gz NFJYRXCZJYGCLR-UHFFFAOYSA-N -1 3 339.754 4.174 20 30 EIEDHM CCc1cccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1[O-] ZINC000536690288 1046678266 /nfs/dbraw/zinc/67/82/66/1046678266.db2.gz REFKPOQITUSOAC-CYBMUJFWSA-N -1 3 340.448 4.459 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806550618 1047298227 /nfs/dbraw/zinc/29/82/27/1047298227.db2.gz MOKWOOSDECCUGC-YBAOBPEKSA-N -1 3 343.732 4.217 20 30 EIEDHM CCOc1cc(/C=C2\Cc3ccc(OC)cc3C2=O)cc(Cl)c1[O-] ZINC000747441032 1047565265 /nfs/dbraw/zinc/56/52/65/1047565265.db2.gz QQMPSZIPDUIPIA-AWNIVKPZSA-N -1 3 344.794 4.275 20 30 EIEDHM CC(=[NH+][N-]c1ccc(F)c(F)c1F)c1ccc(N2CCCC2)cc1[O-] ZINC000814946471 1048264720 /nfs/dbraw/zinc/26/47/20/1048264720.db2.gz NMKPURXDMPEQKH-UHFFFAOYSA-N -1 3 349.356 4.246 20 30 EIEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C=Cc1cccs1 ZINC000845837138 1048744451 /nfs/dbraw/zinc/74/44/51/1048744451.db2.gz NXQOOUNSKQVXEQ-HSBSLETESA-N -1 3 341.457 4.293 20 30 EIEDHM N#CC(C(=O)[C@H](F)CC1CCCCC1)=C([O-])C1(c2ccccc2)CC1 ZINC000845847103 1048753923 /nfs/dbraw/zinc/75/39/23/1048753923.db2.gz YLNCYJYBZCDUGZ-QZTJIDSGSA-N -1 3 341.426 4.305 20 30 EIEDHM N#Cc1ccc(COC(=O)c2cc3cc(Cl)sc3[n-]2)cc1F ZINC000811394736 1049050960 /nfs/dbraw/zinc/05/09/60/1049050960.db2.gz ZEONIYUQLDVCSR-UHFFFAOYSA-N -1 3 334.759 4.251 20 30 EIEDHM Cc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)o1 ZINC000175109665 1049117153 /nfs/dbraw/zinc/11/71/53/1049117153.db2.gz DVRZKLCNFWGPRP-INIZCTEOSA-N -1 3 332.359 4.011 20 30 EIEDHM CC(C)(CCC#N)c1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001148908581 1049397475 /nfs/dbraw/zinc/39/74/75/1049397475.db2.gz IYQCMGWBAVKBEF-UHFFFAOYSA-N -1 3 333.391 4.098 20 30 EIEDHM N#Cc1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1[O-] ZINC001148958502 1049405219 /nfs/dbraw/zinc/40/52/19/1049405219.db2.gz CPKFUZDLOHPWIQ-UHFFFAOYSA-N -1 3 340.688 4.188 20 30 EIEDHM COc1cc(C(=O)/C=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)ccc1[O-] ZINC000036799166 1049634999 /nfs/dbraw/zinc/63/49/99/1049634999.db2.gz LROZSRZTCLFGKZ-VMPITWQZSA-N -1 3 341.363 4.329 20 30 EIEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1csc(Cl)n1 ZINC000821672895 1049676934 /nfs/dbraw/zinc/67/69/34/1049676934.db2.gz CNKUSPLDDOGVPZ-VIFPVBQESA-N -1 3 337.857 4.301 20 30 EIEDHM CCc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c([O-])c1 ZINC001136667339 1049820516 /nfs/dbraw/zinc/82/05/16/1049820516.db2.gz ZEFCJKWKBSXJEU-GOSISDBHSA-N -1 3 336.435 4.247 20 30 EIEDHM N#Cc1c(F)c(F)cc(Nc2ccc(C(F)(F)F)cc2[O-])c1F ZINC001212633853 1049835167 /nfs/dbraw/zinc/83/51/67/1049835167.db2.gz HTPIPGWPZBRJFZ-UHFFFAOYSA-N -1 3 332.203 4.444 20 30 EIEDHM CCCCCCCCCCN(C)C(=O)c1ccccc1-c1nnn[n-]1 ZINC001187008568 1050456797 /nfs/dbraw/zinc/45/67/97/1050456797.db2.gz FLYKASUSXPGJPB-UHFFFAOYSA-N -1 3 343.475 4.079 20 30 EIEDHM CCCCCCCCCCN(C)C(=O)c1ccccc1-c1nn[n-]n1 ZINC001187008568 1050456812 /nfs/dbraw/zinc/45/68/12/1050456812.db2.gz FLYKASUSXPGJPB-UHFFFAOYSA-N -1 3 343.475 4.079 20 30 EIEDHM N#Cc1cc(F)c([N-]C(=O)c2ccoc2C(F)(F)F)c(Cl)c1 ZINC001187720994 1050607196 /nfs/dbraw/zinc/60/71/96/1050607196.db2.gz HMCWIURZRXHYKY-UHFFFAOYSA-N -1 3 332.640 4.215 20 30 EIEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(Cl)cc1[O-] ZINC001179961658 1050848162 /nfs/dbraw/zinc/84/81/62/1050848162.db2.gz GWZYGLCAQUFQIT-ZWKOTPCHSA-N -1 3 326.827 4.317 20 30 EIEDHM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc([O-])cc2C#N)c1 ZINC001189270800 1050953393 /nfs/dbraw/zinc/95/33/93/1050953393.db2.gz PLTKPKXXCLPNJY-UHFFFAOYSA-N -1 3 335.407 4.354 20 30 EIEDHM CCCCCCN([O-])C(=O)c1ccc(Oc2cccc(F)c2)cn1 ZINC001184315106 1051983882 /nfs/dbraw/zinc/98/38/82/1051983882.db2.gz QOEIMOLRTJPWKQ-UHFFFAOYSA-N -1 3 332.375 4.425 20 30 EIEDHM C[C@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC001184283732 1051987498 /nfs/dbraw/zinc/98/74/98/1051987498.db2.gz PAKLTTSCRXVUGY-JTQLQIEISA-N -1 3 325.742 4.140 20 30 EIEDHM O=C(N([O-])Cc1ccccc1Cl)C1(Cc2ccc(F)cc2)CC1 ZINC001184283851 1051988333 /nfs/dbraw/zinc/98/83/33/1051988333.db2.gz SOVSUVVOGGAIOT-UHFFFAOYSA-N -1 3 333.790 4.220 20 30 EIEDHM O=C(CCCc1ccc(F)c(F)c1)N([O-])Cc1ccccc1Cl ZINC001184284000 1051988545 /nfs/dbraw/zinc/98/85/45/1051988545.db2.gz VSOLJMBLWIGZGX-UHFFFAOYSA-N -1 3 339.769 4.359 20 30 EIEDHM O=C([C@@H]1C[C@]12CCc1ccccc12)N([O-])CCCCc1ccccc1 ZINC001184293524 1051989913 /nfs/dbraw/zinc/98/99/13/1051989913.db2.gz WYWXHZZKFKFACN-UNMCSNQZSA-N -1 3 335.447 4.131 20 30 EIEDHM Cc1cccc(C)c1NCC(=O)N([O-])Cc1cccc2ccccc21 ZINC001184341222 1051998646 /nfs/dbraw/zinc/99/86/46/1051998646.db2.gz XGIYWVXACZJNOV-UHFFFAOYSA-N -1 3 334.419 4.287 20 30 EIEDHM CCOc1cc(/C=C/C(=O)c2c(C)nn(CC)c2C)cc(Cl)c1[O-] ZINC000131157625 1052534955 /nfs/dbraw/zinc/53/49/55/1052534955.db2.gz CQBGXUGUSBLKKT-BQYQJAHWSA-N -1 3 348.830 4.174 20 30 EIEDHM CCCCCCCCc1nnc([N-]C(=O)c2ccncc2F)s1 ZINC000124642438 1054589685 /nfs/dbraw/zinc/58/96/85/1054589685.db2.gz MGPTYNHAGMGSRS-UHFFFAOYSA-N -1 3 336.436 4.228 20 30 EIEDHM CCC(CC)(C/N=C/c1cc(Br)ccc1[O-])SC ZINC000743045257 1058850479 /nfs/dbraw/zinc/85/04/79/1058850479.db2.gz ZRRKOJSZXOCFNA-CXUHLZMHSA-N -1 3 330.291 4.495 20 30 EIEDHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc(-n2cccn2)cc1 ZINC000743501988 1059027338 /nfs/dbraw/zinc/02/73/38/1059027338.db2.gz UZAZVXFZKRWJBA-DZUMZMOTSA-N -1 3 325.799 4.411 20 30 EIEDHM COc1cc(C(=O)/C=C\c2ccc(Br)c(C)c2)ccc1[O-] ZINC000746394775 1060277469 /nfs/dbraw/zinc/27/74/69/1060277469.db2.gz QPCSAINMWUEXMK-DAXSKMNVSA-N -1 3 347.208 4.368 20 30 EIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cncc(Br)c1 ZINC000767356735 1061205938 /nfs/dbraw/zinc/20/59/38/1061205938.db2.gz BFWNMTLBQVFEFD-ITXLNXHTSA-N -1 3 348.171 4.072 20 30 EIEDHM CC(C)c1ccc(CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000051266417 214086122 /nfs/dbraw/zinc/08/61/22/214086122.db2.gz AVSCIMGJIRXUPR-UHFFFAOYSA-N -1 3 326.322 4.168 20 30 EIEDHM CC(C)c1ccc(CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000051266417 214086124 /nfs/dbraw/zinc/08/61/24/214086124.db2.gz AVSCIMGJIRXUPR-UHFFFAOYSA-N -1 3 326.322 4.168 20 30 EIEDHM CC(C)c1cc(C([O-])=C(C#N)c2ccccn2)c2cnn(C(C)C)c2n1 ZINC000041493292 519832788 /nfs/dbraw/zinc/83/27/88/519832788.db2.gz ZBFIKNBPXLLGQU-HNNXBMFYSA-N -1 3 347.422 4.021 20 30 EIEDHM Cc1nc(C(C)C)ccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000453790189 1032125626 /nfs/dbraw/zinc/12/56/26/1032125626.db2.gz BRPOKXJKOFKUCP-AWEZNQCLSA-N -1 3 347.340 4.417 20 30 EIEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCOC2(CCCC2)C1 ZINC000254976948 1019667751 /nfs/dbraw/zinc/66/77/51/1019667751.db2.gz JAAQHVREVFVSEE-JVVDOCDTSA-N -1 3 338.245 4.065 20 30 EIEDHM CCOc1cc(/C=C\C(=O)c2ccco2)cc(Br)c1[O-] ZINC000254974513 1019668787 /nfs/dbraw/zinc/66/87/87/1019668787.db2.gz JMRUTESBQHKNIT-WAYWQWQTSA-N -1 3 337.169 4.043 20 30 EIEDHM Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000728231983 1020321246 /nfs/dbraw/zinc/32/12/46/1020321246.db2.gz PHOYWBQCCXTRJF-ZRDIBKRKSA-N -1 3 332.403 4.399 20 30 EIEDHM Cc1cc(C(=O)/C=C\c2cc(Br)ccc2F)ccc1[O-] ZINC000728231272 1020338388 /nfs/dbraw/zinc/33/83/88/1020338388.db2.gz LDDTXZJHNCYVGY-UQCOIBPSSA-N -1 3 335.172 4.498 20 30 EIEDHM C[C@H]1COCCN1c1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000255137585 1021105944 /nfs/dbraw/zinc/10/59/44/1021105944.db2.gz WJGRAZOBKPZHTL-ZDUSSCGKSA-N -1 3 330.815 4.021 20 30 EIEDHM COc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1C ZINC000659114876 1022841556 /nfs/dbraw/zinc/84/15/56/1022841556.db2.gz JGBTXZIUZBJXCQ-CYBMUJFWSA-N -1 3 328.437 4.248 20 30 EIEDHM N#CC(=C([O-])c1cccc(N2CCCC2)c1)c1nc(C2CC2)cs1 ZINC000659116170 1022846972 /nfs/dbraw/zinc/84/69/72/1022846972.db2.gz PKCJPNZLHVRSOK-INIZCTEOSA-N -1 3 337.448 4.111 20 30 EIEDHM C=CC[C@@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000656759361 1023500241 /nfs/dbraw/zinc/50/02/41/1023500241.db2.gz DOVBUXAZPQYUNI-ABAIWWIYSA-N -1 3 328.239 4.407 20 30 EIEDHM N#CC(=C([O-])C=CSCc1ccco1)c1ccc2ccccc2n1 ZINC000759812477 1023626606 /nfs/dbraw/zinc/62/66/06/1023626606.db2.gz AJIFNXFDLSPTTA-HGPCXVNDSA-N -1 3 334.400 4.451 20 30 EIEDHM CN(C)[C@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])c1cccs1 ZINC000022729186 1024529344 /nfs/dbraw/zinc/52/93/44/1024529344.db2.gz LKIRVADZPRJHNM-NACCWKTGSA-N -1 3 343.279 4.482 20 30 EIEDHM Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1ncc(Cl)cc1Cl ZINC000006903324 1025281242 /nfs/dbraw/zinc/28/12/42/1025281242.db2.gz OUCQXMVXELHQFR-UHFFFAOYSA-N -1 3 335.194 4.423 20 30 EIEDHM CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1[O-] ZINC000007743763 1025452435 /nfs/dbraw/zinc/45/24/35/1025452435.db2.gz BWRGXPCFLUTJGD-HWKANZROSA-N -1 3 346.766 4.069 20 30 EIEDHM C=CCOc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426829960 1026584793 /nfs/dbraw/zinc/58/47/93/1026584793.db2.gz UBDGCTVZPUTTMG-GOSISDBHSA-N -1 3 345.826 4.210 20 30 EIEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1[O-] ZINC000331227262 1027936230 /nfs/dbraw/zinc/93/62/30/1027936230.db2.gz DODCDEHZBAFKAV-NWDGAFQWSA-N -1 3 329.318 4.021 20 30 EIEDHM N#CC(=C([O-])c1ccc(OC(F)F)cc1)c1nc(C2CC2)cs1 ZINC000647371543 1030875743 /nfs/dbraw/zinc/87/57/43/1030875743.db2.gz SLCYBDSBIASTOD-LBPRGKRZSA-N -1 3 334.347 4.112 20 30 EIEDHM [O-]c1c(O)ccc(C=Nc2ccc(NCCc3ccccc3)cc2)c1O ZINC000255720319 1031048676 /nfs/dbraw/zinc/04/86/76/1031048676.db2.gz RNRKVUPKEJFNGC-UHFFFAOYSA-N -1 3 348.402 4.209 20 30 EIEDHM N#CCC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000345872980 1035323997 /nfs/dbraw/zinc/32/39/97/1035323997.db2.gz RRYYYYJAGSYIDA-GOSISDBHSA-N -1 3 340.398 4.015 20 30 EIEDHM CC1(C)CCc2sc([N-]C(=O)c3csc(Cl)n3)c(C#N)c21 ZINC000906264359 1036195818 /nfs/dbraw/zinc/19/58/18/1036195818.db2.gz GKMUDHYNRDHDCK-UHFFFAOYSA-N -1 3 337.857 4.206 20 30 EIEDHM C=CCCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000605076917 1037652621 /nfs/dbraw/zinc/65/26/21/1037652621.db2.gz MMRASGGTFDVFGY-UHFFFAOYSA-N -1 3 346.843 4.233 20 30 EIEDHM COC(=O)c1cccc(N=Cc2cc(Br)ccc2[O-])c1C ZINC000912961908 1038469024 /nfs/dbraw/zinc/46/90/24/1038469024.db2.gz 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N#Cc1cccc(-c2cc(C(=O)[N-]c3cccc(Cl)c3F)on2)c1 ZINC000436253769 1041010602 /nfs/dbraw/zinc/01/06/02/1041010602.db2.gz QMODFLDMLCTTBX-UHFFFAOYSA-N -1 3 341.729 4.258 20 30 EIEDHM CC(C)(CCC#N)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436743079 1041450836 /nfs/dbraw/zinc/45/08/36/1041450836.db2.gz XOMDORRVLDRZDE-UHFFFAOYSA-N -1 3 336.435 4.043 20 30 EIEDHM CC(C)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c([O-])c1 ZINC000436759247 1041457598 /nfs/dbraw/zinc/45/75/98/1041457598.db2.gz VKEZJJDHEHBIJR-UHFFFAOYSA-N -1 3 334.419 4.192 20 30 EIEDHM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc(C)c1F ZINC000464413066 1041989914 /nfs/dbraw/zinc/98/99/14/1041989914.db2.gz YBICTDOXAZBJMD-ZDUSSCGKSA-N -1 3 336.288 4.346 20 30 EIEDHM N#CC(=C([O-])c1cc(F)cc(Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000464407144 1041998737 /nfs/dbraw/zinc/99/87/37/1041998737.db2.gz FYGAHCXFNGJZTQ-LBPRGKRZSA-N -1 3 342.679 4.383 20 30 EIEDHM Cc1csc([C@H](C)/N=C\c2cc(Br)ccc2[O-])n1 ZINC000727653081 1043256816 /nfs/dbraw/zinc/25/68/16/1043256816.db2.gz CUQIIHWECDFEFQ-JEHWNMSRSA-N -1 3 325.231 4.100 20 30 EIEDHM COc1ccc(C[C@H](C)/N=C/c2cc(Cl)ccc2[O-])cc1OC ZINC000730148204 1043456942 /nfs/dbraw/zinc/45/69/42/1043456942.db2.gz ZTZLIOKLZNYSGS-DQAKUKQTSA-N -1 3 333.815 4.113 20 30 EIEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000730146609 1043457111 /nfs/dbraw/zinc/45/71/11/1043457111.db2.gz BZJGLQKMCXZQEW-SCDDIDHTSA-N -1 3 336.769 4.022 20 30 EIEDHM N#Cc1cccc(Br)c1Nc1cc(F)cc(F)c1[O-] ZINC001212487491 1043531380 /nfs/dbraw/zinc/53/13/80/1043531380.db2.gz NKHHRZYZLJVDGE-UHFFFAOYSA-N -1 3 325.112 4.048 20 30 EIEDHM CCOc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1OC ZINC000730590306 1043564162 /nfs/dbraw/zinc/56/41/62/1043564162.db2.gz MAQCAUSQLZWHFC-VSXLWIIGSA-N -1 3 342.366 4.322 20 30 EIEDHM CCOC(=O)CCCc1ccc(C#N)cc1Nc1cccc([O-])c1F ZINC001212553075 1044290838 /nfs/dbraw/zinc/29/08/38/1044290838.db2.gz ACTKWHIGOOVEOB-UHFFFAOYSA-N -1 3 342.370 4.032 20 30 EIEDHM CS[C@@H]1CCC[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000735229190 1044763622 /nfs/dbraw/zinc/76/36/22/1044763622.db2.gz UTNIZTUKLNPVND-PQQGUCMVSA-N -1 3 328.275 4.248 20 30 EIEDHM N#Cc1cc([N-]C(=O)c2cscc2Cl)c(Cl)c([N+](=O)[O-])c1 ZINC001127331821 1044868401 /nfs/dbraw/zinc/86/84/01/1044868401.db2.gz USXILROMBOQCLG-UHFFFAOYSA-N -1 3 342.163 4.087 20 30 EIEDHM CCCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccc1C ZINC000429100734 1045152192 /nfs/dbraw/zinc/15/21/92/1045152192.db2.gz QICUGVMTDLLPPK-MRXNPFEDSA-N -1 3 344.418 4.018 20 30 EIEDHM CC(C)c1nnc([N-]C(=O)c2c(Cl)cc(C#N)cc2Cl)s1 ZINC000611093709 1045251915 /nfs/dbraw/zinc/25/19/15/1045251915.db2.gz MIDCSSZBQIOHOT-UHFFFAOYSA-N -1 3 341.223 4.092 20 30 EIEDHM COc1cc(C(=O)/C=C\c2cccc3ccccc23)c(OC)cc1[O-] ZINC000763104913 1045502465 /nfs/dbraw/zinc/50/24/65/1045502465.db2.gz HNMNNVQPEXLARF-KHPPLWFESA-N -1 3 334.371 4.459 20 30 EIEDHM COc1cc(C(=O)/C=C\c2ccc(F)cc2Cl)c(OC)cc1[O-] ZINC000767731041 1045623557 /nfs/dbraw/zinc/62/35/57/1045623557.db2.gz VFEVMJVSQDFQPL-XQRVVYSFSA-N -1 3 336.746 4.098 20 30 EIEDHM CC[C@H](C#N)Oc1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790965334 1045639992 /nfs/dbraw/zinc/63/99/92/1045639992.db2.gz FOIPEDZZXLEFDU-CYBMUJFWSA-N -1 3 348.805 4.155 20 30 EIEDHM C[C@@H]1CCCC[C@H]1OCC/N=C/c1cc(Br)ccc1[O-] ZINC000915978478 1045850342 /nfs/dbraw/zinc/85/03/42/1045850342.db2.gz GCUWUHWGRJGUQE-KFYYSCHASA-N -1 3 340.261 4.169 20 30 EIEDHM Cc1ncc(CO)c(/C=N\[C@@H](CC(C)(C)C)c2ccc(F)cc2)c1[O-] ZINC000915982977 1045855185 /nfs/dbraw/zinc/85/51/85/1045855185.db2.gz LFLJFJIVYJXMHF-JHHOAVTDSA-N -1 3 344.430 4.323 20 30 EIEDHM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1nccc2ccccc21 ZINC000792094152 1045862286 /nfs/dbraw/zinc/86/22/86/1045862286.db2.gz DCPZVJOWHMBJMQ-OGZRUICASA-N -1 3 333.778 4.173 20 30 EIEDHM Cc1cc(NCc2cc(Cl)c3cccnc3c2[O-])nc(C)c1C#N ZINC001168521501 1046364777 /nfs/dbraw/zinc/36/47/77/1046364777.db2.gz DXWMXTLAAQNHDA-UHFFFAOYSA-N -1 3 338.798 4.089 20 30 EIEDHM C=CCCN(C)Cc1c([O-])ccc2c1oc(C)c(-c1ccccc1)c2=O ZINC000786101738 1046809418 /nfs/dbraw/zinc/80/94/18/1046809418.db2.gz OXQJNYLAUYCMLC-UHFFFAOYSA-N -1 3 349.430 4.482 20 30 EIEDHM O=C([N-][C@@H](C1CC1)C(F)(F)F)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000807908754 1047538912 /nfs/dbraw/zinc/53/89/12/1047538912.db2.gz JHZCKJDTOLNLLM-QWRGUYRKSA-N -1 3 343.242 4.173 20 30 EIEDHM COc1cc(/C=C2/CCc3cc(F)ccc3C2=O)cc(Cl)c1[O-] ZINC000747440763 1047567061 /nfs/dbraw/zinc/56/70/61/1047567061.db2.gz UYPWKDXODWJCMJ-SDQBBNPISA-N -1 3 332.758 4.406 20 30 EIEDHM CC[C@@H](C)[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000072673426 1048042780 /nfs/dbraw/zinc/04/27/80/1048042780.db2.gz DGTRYJQPSTWQLQ-KOLCDFICSA-N -1 3 326.322 4.241 20 30 EIEDHM CC[C@@H](C)[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000072673426 1048042796 /nfs/dbraw/zinc/04/27/96/1048042796.db2.gz DGTRYJQPSTWQLQ-KOLCDFICSA-N -1 3 326.322 4.241 20 30 EIEDHM N#Cc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)ccc1[O-] ZINC001143701441 1048162922 /nfs/dbraw/zinc/16/29/22/1048162922.db2.gz BGCVJFDLQOAMAD-UHFFFAOYSA-N -1 3 342.398 4.425 20 30 EIEDHM O=C(Cc1c(Cl)cccc1Cl)N([O-])Cc1ccc(F)cc1 ZINC000901378368 1048667926 /nfs/dbraw/zinc/66/79/26/1048667926.db2.gz GVBHOPQZWFGVBH-UHFFFAOYSA-N -1 3 328.170 4.093 20 30 EIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn2cc(Cl)ccc2n1 ZINC000920755245 1048773195 /nfs/dbraw/zinc/77/31/95/1048773195.db2.gz LCZVOXGCTJDNFJ-TZZQWBKVSA-N -1 3 342.757 4.216 20 30 EIEDHM C=CCN(Cc1cccc(C#N)c1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816496377 1048815946 /nfs/dbraw/zinc/81/59/46/1048815946.db2.gz HQHAMPKACMICKR-UHFFFAOYSA-N -1 3 330.790 4.245 20 30 EIEDHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000846943573 1048957615 /nfs/dbraw/zinc/95/76/15/1048957615.db2.gz ZMAWUEXNZCOJPH-KRWDZBQOSA-N -1 3 338.398 4.010 20 30 EIEDHM COc1cc(C(=O)/C=C\c2cccc(-c3ccccn3)c2)ccc1[O-] ZINC000747697284 1049026129 /nfs/dbraw/zinc/02/61/29/1049026129.db2.gz XDUFOTASESHPCF-NTMALXAHSA-N -1 3 331.371 4.359 20 30 EIEDHM N#Cc1cc(COC(=O)c2cc3cc(Cl)sc3[n-]2)ccc1F ZINC000811393778 1049051270 /nfs/dbraw/zinc/05/12/70/1049051270.db2.gz RSBIEEQQWIWIQL-UHFFFAOYSA-N -1 3 334.759 4.251 20 30 EIEDHM Cc1cccc(Oc2ccc(N=Cc3c([O-])c(C)ncc3CO)cc2)c1 ZINC000747712939 1049058067 /nfs/dbraw/zinc/05/80/67/1049058067.db2.gz LEHXSQDBXLMSBY-UHFFFAOYSA-N -1 3 348.402 4.439 20 30 EIEDHM C#Cc1cccc(N(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC001136643340 1049807084 /nfs/dbraw/zinc/80/70/84/1049807084.db2.gz HGDMAJUMZBVCPP-UHFFFAOYSA-N -1 3 341.410 4.241 20 30 EIEDHM Cc1noc([N-]C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C#N ZINC001188202146 1050721621 /nfs/dbraw/zinc/72/16/21/1050721621.db2.gz CZOFPNQONFCXTL-UHFFFAOYSA-N -1 3 344.680 4.171 20 30 EIEDHM C=CCCCCCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC001190107942 1051115615 /nfs/dbraw/zinc/11/56/15/1051115615.db2.gz HBEZFIRHNBGBST-UHFFFAOYSA-N -1 3 339.432 4.295 20 30 EIEDHM N#Cc1cc(F)c([N-]C(=O)c2csc(C(F)(F)F)n2)c(Cl)c1 ZINC001191015377 1051328661 /nfs/dbraw/zinc/32/86/61/1051328661.db2.gz BCVPTGJWSNISRS-UHFFFAOYSA-N -1 3 349.696 4.078 20 30 EIEDHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)C#N)cc2)cc1 ZINC001191248525 1051410676 /nfs/dbraw/zinc/41/06/76/1051410676.db2.gz FCJJMHKTRQBEKO-OAHLLOKOSA-N -1 3 342.464 4.457 20 30 EIEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001192931940 1051840542 /nfs/dbraw/zinc/84/05/42/1051840542.db2.gz GJJPHZGPQFYYFC-UHFFFAOYSA-N -1 3 336.284 4.182 20 30 EIEDHM Cc1cccc(Cl)c1NC(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001183719092 1051888240 /nfs/dbraw/zinc/88/82/40/1051888240.db2.gz WSOKSVYNFDYSLU-UHFFFAOYSA-N -1 3 332.791 4.450 20 30 EIEDHM CC[C@H]1C[C@@H](CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCO1 ZINC001184234752 1051977281 /nfs/dbraw/zinc/97/72/81/1051977281.db2.gz CHDBQCVYPSSNSO-NHYWBVRUSA-N -1 3 346.254 4.307 20 30 EIEDHM Cc1ccc(C(=O)CCC(=O)N([O-])Cc2ccccc2Cl)s1 ZINC001184283286 1051987745 /nfs/dbraw/zinc/98/77/45/1051987745.db2.gz FOLOGEDFAYKYEV-UHFFFAOYSA-N -1 3 337.828 4.091 20 30 EIEDHM O=C(c1scnc1C1CCCC1)N([O-])Cc1ccccc1Cl ZINC001184284136 1051987987 /nfs/dbraw/zinc/98/79/87/1051987987.db2.gz ZQYRMDDVDSAUHK-UHFFFAOYSA-N -1 3 336.844 4.486 20 30 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CC(=[NH+][N-]c1c(C)cccc1F)c1ccc(N2CCCC2)cc1[O-] ZINC000769841063 1046089382 /nfs/dbraw/zinc/08/93/82/1046089382.db2.gz STSPSQSGRWYWKT-UHFFFAOYSA-N -1 3 327.403 4.276 20 30 EIEDHM Cc1ccc(OCc2ccc(C([O-])=C(C#N)c3ccccn3)o2)c(C)c1 ZINC000066507199 1046639522 /nfs/dbraw/zinc/63/95/22/1046639522.db2.gz BNDYQLKOUAFGSW-QGZVFWFLSA-N -1 3 346.386 4.361 20 30 EIEDHM Cc1cccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1[O-] ZINC000108239740 1047795604 /nfs/dbraw/zinc/79/56/04/1047795604.db2.gz DZHRMIPYGUWZCU-GFCCVEGCSA-N -1 3 326.421 4.205 20 30 EIEDHM C=CCc1cc(CNCc2cccc([O-])c2Cl)cc(OC)c1OC ZINC000815123294 1048339638 /nfs/dbraw/zinc/33/96/38/1048339638.db2.gz AODQLXPGCUFSCP-UHFFFAOYSA-N -1 3 347.842 4.081 20 30 EIEDHM O=C1CCCCN1c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000920175060 1048573022 /nfs/dbraw/zinc/57/30/22/1048573022.db2.gz SSXBZPJVFYUFQC-FYJGNVAPSA-N -1 3 342.826 4.182 20 30 EIEDHM CC(=NNc1ccc(Br)c(C)c1)c1cc(F)ccc1[O-] ZINC000920479088 1048692127 /nfs/dbraw/zinc/69/21/27/1048692127.db2.gz JZKHKPCWGFPCKW-UHFFFAOYSA-N -1 3 337.192 4.438 20 30 EIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn2cc(Cl)ccc2n1 ZINC000920755231 1048772619 /nfs/dbraw/zinc/77/26/19/1048772619.db2.gz LCZVOXGCTJDNFJ-DKBJHAQFSA-N -1 3 342.757 4.216 20 30 EIEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000920941846 1048815507 /nfs/dbraw/zinc/81/55/07/1048815507.db2.gz UMXFKZONYBDNMT-OEKFUPINSA-N -1 3 344.798 4.182 20 30 EIEDHM C=C[C@@](C)(CCOC)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810705839 1048855119 /nfs/dbraw/zinc/85/51/19/1048855119.db2.gz HIFANHHPAHWUPN-HNNXBMFYSA-N -1 3 327.833 4.268 20 30 EIEDHM COc1cccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1[O-] ZINC001146418887 1049023415 /nfs/dbraw/zinc/02/34/15/1049023415.db2.gz BQXPWRUPSODDBN-GFCCVEGCSA-N -1 3 342.420 4.047 20 30 EIEDHM COc1ccc(COC(=O)c2cc3cc(Cl)sc3[n-]2)cc1C#N ZINC000811394701 1049051425 /nfs/dbraw/zinc/05/14/25/1049051425.db2.gz YFCIVPHFGKWEJC-UHFFFAOYSA-N -1 3 346.795 4.120 20 30 EIEDHM CCc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1[O-] ZINC001136673342 1049824684 /nfs/dbraw/zinc/82/46/84/1049824684.db2.gz RBQDLCPMMSHPHU-HNNXBMFYSA-N -1 3 349.217 4.256 20 30 EIEDHM [O-]/N=C/c1cccc(NCc2cc(-c3cccc(Cl)c3)no2)c1 ZINC001171020958 1049857574 /nfs/dbraw/zinc/85/75/74/1049857574.db2.gz YAWARQSQXWREBV-KEBDBYFISA-N -1 3 327.771 4.415 20 30 EIEDHM C=CCc1c(F)c(F)c(C(=O)Nc2ccc(F)c([O-])c2)c(F)c1F ZINC001186722454 1050409483 /nfs/dbraw/zinc/40/94/83/1050409483.db2.gz DJESAYUFUPAHDE-UHFFFAOYSA-N -1 3 343.251 4.069 20 30 EIEDHM N#Cc1cc(NC(=O)c2cccc(COc3ccccc3)c2)ccc1[O-] ZINC001187968761 1050669898 /nfs/dbraw/zinc/66/98/98/1050669898.db2.gz SVBWPTDZNSDBGY-UHFFFAOYSA-N -1 3 344.370 4.095 20 30 EIEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccc(OCc3ccccc3)cc2)o1 ZINC001189148023 1050916931 /nfs/dbraw/zinc/91/69/31/1050916931.db2.gz PQXRFPWVTSVHLA-UHFFFAOYSA-N -1 3 348.362 4.078 20 30 EIEDHM N#Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)ccc1[O-] ZINC001180860007 1051096410 /nfs/dbraw/zinc/09/64/10/1051096410.db2.gz NDSSISJMEYEZIY-UHFFFAOYSA-N -1 3 347.201 4.241 20 30 EIEDHM N#Cc1cc(NC(=O)Cc2csc3ccc(Cl)cc23)ccc1[O-] ZINC001181424726 1051221057 /nfs/dbraw/zinc/22/10/57/1051221057.db2.gz HONGYKYLVCDEPC-UHFFFAOYSA-N -1 3 342.807 4.313 20 30 EIEDHM C[C@H](CC(=O)Nc1ccc([O-])c(C#N)c1)Sc1ccc(Cl)cc1 ZINC001181768629 1051304056 /nfs/dbraw/zinc/30/40/56/1051304056.db2.gz IULDCZGZRGBIQR-LLVKDONJSA-N -1 3 346.839 4.427 20 30 EIEDHM Cc1cc(NC(=O)[N-]c2onc(C(C)(C)C)c2C#N)ccc1Cl ZINC001191740433 1051536298 /nfs/dbraw/zinc/53/62/98/1051536298.db2.gz UIKKAOQBINFCOT-UHFFFAOYSA-N -1 3 332.791 4.450 20 30 EIEDHM N#Cc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)c(C(F)(F)F)c1 ZINC001192098584 1051637179 /nfs/dbraw/zinc/63/71/79/1051637179.db2.gz FGYFAIRNRSKNDQ-UHFFFAOYSA-N -1 3 340.688 4.188 20 30 EIEDHM N#Cc1c(NC(=O)c2ccc([O-])c(O)c2Cl)sc2ccccc21 ZINC001193219461 1051887110 /nfs/dbraw/zinc/88/71/10/1051887110.db2.gz IFAZTPSMMFEQGF-UHFFFAOYSA-N -1 3 344.779 4.090 20 30 EIEDHM CC[C@@H]1C[C@H](CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCO1 ZINC001184234751 1051976839 /nfs/dbraw/zinc/97/68/39/1051976839.db2.gz CHDBQCVYPSSNSO-IAQYHMDHSA-N -1 3 346.254 4.307 20 30 EIEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001184315215 1051984432 /nfs/dbraw/zinc/98/44/32/1051984432.db2.gz UZYSYGSZUKCHAI-LSDHHAIUSA-N -1 3 340.261 4.351 20 30 EIEDHM Cc1nc(C(F)(F)F)ccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001184283998 1051987777 /nfs/dbraw/zinc/98/77/77/1051987777.db2.gz VQSWWDDXCNJMGB-UHFFFAOYSA-N -1 3 344.720 4.094 20 30 EIEDHM COc1cc(Cl)ccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001184283703 1051987829 /nfs/dbraw/zinc/98/78/29/1051987829.db2.gz OHWDDYCOLLEKHZ-UHFFFAOYSA-N -1 3 326.179 4.034 20 30 EIEDHM CC(C)(C)CCC1(O)CC(C(=O)N([O-])CCCCc2ccccc2)C1 ZINC001184293382 1051990503 /nfs/dbraw/zinc/99/05/03/1051990503.db2.gz QNGKSDHZTZZDHH-UHFFFAOYSA-N -1 3 347.499 4.195 20 30 EIEDHM N#Cc1c[nH]c2cc(NC(=O)c3ccc([O-])cc3C(F)(F)F)ccc12 ZINC001193748070 1051991591 /nfs/dbraw/zinc/99/15/91/1051991591.db2.gz OYCBZNBXXZVWAH-UHFFFAOYSA-N -1 3 345.280 4.016 20 30 EIEDHM O=C(c1ccc2c(c1)CCCC2=O)N([O-])Cc1cccc2ccccc21 ZINC001184340924 1051997654 /nfs/dbraw/zinc/99/76/54/1051997654.db2.gz TYYNACMASYUXND-UHFFFAOYSA-N -1 3 345.398 4.390 20 30 EIEDHM N#Cc1cc(N)c(Nc2cc([O-])cc(Cl)c2)cc1C(F)(F)F ZINC001176625847 1052146611 /nfs/dbraw/zinc/14/66/11/1052146611.db2.gz PLILJCNESAVKPQ-UHFFFAOYSA-N -1 3 327.693 4.262 20 30 EIEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cccc(Cl)c1[O-] ZINC000775665332 1053431140 /nfs/dbraw/zinc/43/11/40/1053431140.db2.gz MPIGSNSRUKINCS-UHFFFAOYSA-N -1 3 332.787 4.142 20 30 EIEDHM CCC(N=Nc1ncnc(Cl)c1C(C)C)c1ccc([O-])c(F)c1 ZINC000797403870 1053584612 /nfs/dbraw/zinc/58/46/12/1053584612.db2.gz BNKPYWHNPGKIBC-UHFFFAOYSA-N -1 3 336.798 4.324 20 30 EIEDHM Cc1coc([N-]C(=O)c2cnc(-c3ccc(Cl)cc3)s2)c1C#N ZINC001196423624 1053669129 /nfs/dbraw/zinc/66/91/29/1053669129.db2.gz HSRYDSZWMDEWBZ-UHFFFAOYSA-N -1 3 343.795 4.489 20 30 EIEDHM COc1cc(C(=O)/C=C/c2ccc(SC)cc2)c(OC)cc1[O-] ZINC000122504205 1053984763 /nfs/dbraw/zinc/98/47/63/1053984763.db2.gz RRKQAWLFZWBHJD-RMKNXTFCSA-N -1 3 330.405 4.027 20 30 EIEDHM Cc1cccc2nc(C(C#N)=C([O-])c3nc(C(C)(C)C)cs3)[nH]c21 ZINC000870207354 1054072053 /nfs/dbraw/zinc/07/20/53/1054072053.db2.gz FHAAXCANVSIJLG-LLVKDONJSA-N -1 3 338.436 4.115 20 30 EIEDHM CCCOc1c(F)c(F)c(Nc2ccc([O-])c(C#N)c2)c(F)c1F ZINC001201304529 1054746997 /nfs/dbraw/zinc/74/69/97/1054746997.db2.gz HUCGQNRIMJZERF-UHFFFAOYSA-N -1 3 340.276 4.353 20 30 EIEDHM CC(C)n1ccc(CC(C)N=Nc2nc3ccccc3[n-]c2=S)n1 ZINC000863128362 1055150638 /nfs/dbraw/zinc/15/06/38/1055150638.db2.gz LOIGTERBXXBHHC-UHFFFAOYSA-N -1 3 340.456 4.100 20 30 EIEDHM Cc1cc(C(=O)/C=C/c2ccc(Oc3cnccn3)cc2)ccc1[O-] ZINC000743055481 1058851323 /nfs/dbraw/zinc/85/13/23/1058851323.db2.gz DRVPGQQWJWYYJH-XBXARRHUSA-N -1 3 332.359 4.179 20 30 EIEDHM CC(=NNc1cccc(F)c1F)c1cc(Br)ccc1[O-] ZINC000743443763 1058998456 /nfs/dbraw/zinc/99/84/56/1058998456.db2.gz PHGGSHJVSHXQDX-UHFFFAOYSA-N -1 3 341.155 4.269 20 30 EIEDHM CC(=NNc1ccc(Cl)nc1)c1cc(Br)ccc1[O-] ZINC000743452462 1059002663 /nfs/dbraw/zinc/00/26/63/1059002663.db2.gz XGDIDDJWKINRJZ-UHFFFAOYSA-N -1 3 340.608 4.039 20 30 EIEDHM C[C@H]1CCc2c(C([O-])=C(C#N)c3nc4ccccc4n3C)csc2C1 ZINC000122641715 222129177 /nfs/dbraw/zinc/12/91/77/222129177.db2.gz FLDDOXRTOXTIKJ-JSGCOSHPSA-N -1 3 349.459 4.250 20 30 EIEDHM