smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000819744126 945280185 /nfs/dbraw/zinc/28/01/85/945280185.db2.gz XISGNSTZEZDJHY-SIKLNZKXSA-N -1 3 388.475 3.295 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000819744126 945280197 /nfs/dbraw/zinc/28/01/97/945280197.db2.gz XISGNSTZEZDJHY-SIKLNZKXSA-N -1 3 388.475 3.295 20 30 GGEDHM N#Cc1ccc(OC2CCN(CCOc3ccccc3C(=O)[O-])CC2)c(F)c1 ZINC001601109126 970934633 /nfs/dbraw/zinc/93/46/33/970934633.db2.gz GGOZQKPQMQTRDL-UHFFFAOYSA-N -1 3 384.407 3.318 20 30 GGEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1Oc1ccncc1 ZINC000737316144 945036068 /nfs/dbraw/zinc/03/60/68/945036068.db2.gz UOKUMEYSRAEUAC-UHFFFAOYSA-N -1 3 397.398 3.486 20 30 GGEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1Oc1ccncc1 ZINC000737316144 945036079 /nfs/dbraw/zinc/03/60/79/945036079.db2.gz UOKUMEYSRAEUAC-UHFFFAOYSA-N -1 3 397.398 3.486 20 30 GGEDHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(C#N)c1 ZINC000820343088 945421527 /nfs/dbraw/zinc/42/15/27/945421527.db2.gz ZXWYXVHANCODBR-CQSZACIVSA-N -1 3 387.447 3.174 20 30 GGEDHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(C#N)c1 ZINC000820343088 945421534 /nfs/dbraw/zinc/42/15/34/945421534.db2.gz ZXWYXVHANCODBR-CQSZACIVSA-N -1 3 387.447 3.174 20 30 GGEDHM C=C(C)CN(CC)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823877600 946498291 /nfs/dbraw/zinc/49/82/91/946498291.db2.gz AQYHALBBKBYQNN-UHFFFAOYSA-N -1 3 386.847 3.136 20 30 GGEDHM C=C(C)CN(CC)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823877600 946498297 /nfs/dbraw/zinc/49/82/97/946498297.db2.gz AQYHALBBKBYQNN-UHFFFAOYSA-N -1 3 386.847 3.136 20 30 GGEDHM C=CCCCN(C)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823894492 946503884 /nfs/dbraw/zinc/50/38/84/946503884.db2.gz RLUUWUZUSXZHLL-UHFFFAOYSA-N -1 3 386.847 3.136 20 30 GGEDHM CC(C)(C)OC(=O)N[C@@H]1CCCCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824109634 946594675 /nfs/dbraw/zinc/59/46/75/946594675.db2.gz ULIFSHDRQNNBCG-OAHLLOKOSA-N -1 3 385.472 3.492 20 30 GGEDHM CC(C)(C)OC(=O)N[C@@H]1CCCCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824109634 946594683 /nfs/dbraw/zinc/59/46/83/946594683.db2.gz ULIFSHDRQNNBCG-OAHLLOKOSA-N -1 3 385.472 3.492 20 30 GGEDHM C#C[C@@H](NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C(C)(C)C ZINC001573278939 946625702 /nfs/dbraw/zinc/62/57/02/946625702.db2.gz AMRZULZWWIFEPL-LJQANCHMSA-N -1 3 389.459 3.223 20 30 GGEDHM C#C[C@@H](NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C(C)(C)C ZINC001573278939 946625710 /nfs/dbraw/zinc/62/57/10/946625710.db2.gz AMRZULZWWIFEPL-LJQANCHMSA-N -1 3 389.459 3.223 20 30 GGEDHM C#C[C@H](NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C(C)(C)C ZINC001573278936 946626892 /nfs/dbraw/zinc/62/68/92/946626892.db2.gz AMRZULZWWIFEPL-IBGZPJMESA-N -1 3 389.459 3.223 20 30 GGEDHM C#C[C@H](NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C(C)(C)C ZINC001573278936 946626898 /nfs/dbraw/zinc/62/68/98/946626898.db2.gz AMRZULZWWIFEPL-IBGZPJMESA-N -1 3 389.459 3.223 20 30 GGEDHM C#C[C@H](CC)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC001573279196 946633600 /nfs/dbraw/zinc/63/36/00/946633600.db2.gz CZYDSRPZRWICOT-CQSZACIVSA-N -1 3 381.823 3.454 20 30 GGEDHM C#C[C@H](CC)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC001573279196 946633604 /nfs/dbraw/zinc/63/36/04/946633604.db2.gz CZYDSRPZRWICOT-CQSZACIVSA-N -1 3 381.823 3.454 20 30 GGEDHM C#C[C@H](NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)c1ccccc1 ZINC001573279249 946635531 /nfs/dbraw/zinc/63/55/31/946635531.db2.gz DVIUHTCQMSGQOH-SFHVURJKSA-N -1 3 399.410 3.143 20 30 GGEDHM C#C[C@H](NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)c1ccccc1 ZINC001573279249 946635538 /nfs/dbraw/zinc/63/55/38/946635538.db2.gz DVIUHTCQMSGQOH-SFHVURJKSA-N -1 3 399.410 3.143 20 30 GGEDHM C#C[C@@H](NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1)c1ccc(F)cc1 ZINC001573279463 946641301 /nfs/dbraw/zinc/64/13/01/946641301.db2.gz HIVXGPGFRXEWSY-LJQANCHMSA-N -1 3 389.434 3.308 20 30 GGEDHM C#C[C@@H](NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1)c1ccc(F)cc1 ZINC001573279463 946641311 /nfs/dbraw/zinc/64/13/11/946641311.db2.gz HIVXGPGFRXEWSY-LJQANCHMSA-N -1 3 389.434 3.308 20 30 GGEDHM C#C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001573279913 946650441 /nfs/dbraw/zinc/65/04/41/946650441.db2.gz LSGLFYKQTBFJPW-UGSOOPFHSA-N -1 3 378.411 3.083 20 30 GGEDHM C#C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001573279913 946650447 /nfs/dbraw/zinc/65/04/47/946650447.db2.gz LSGLFYKQTBFJPW-UGSOOPFHSA-N -1 3 378.411 3.083 20 30 GGEDHM C#C[C@@H](CC)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC001573279995 946652283 /nfs/dbraw/zinc/65/22/83/946652283.db2.gz MLEKSJCJDSLTNU-IBGZPJMESA-N -1 3 392.438 3.129 20 30 GGEDHM C#C[C@@H](CC)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC001573279995 946652288 /nfs/dbraw/zinc/65/22/88/946652288.db2.gz MLEKSJCJDSLTNU-IBGZPJMESA-N -1 3 392.438 3.129 20 30 GGEDHM C#C[C@@H](NC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1F ZINC001573280971 946670207 /nfs/dbraw/zinc/67/02/07/946670207.db2.gz UWPLVWMUBHQFSB-QGZVFWFLSA-N -1 3 398.829 3.141 20 30 GGEDHM C#C[C@@H](NC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1F ZINC001573280971 946670213 /nfs/dbraw/zinc/67/02/13/946670213.db2.gz UWPLVWMUBHQFSB-QGZVFWFLSA-N -1 3 398.829 3.141 20 30 GGEDHM C#C[C@@H]1CCCCN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001573281547 946677042 /nfs/dbraw/zinc/67/70/42/946677042.db2.gz ZUQHZSNBVJRTHB-GOSISDBHSA-N -1 3 387.443 3.074 20 30 GGEDHM C#C[C@@H]1CCCCN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001573281547 946677049 /nfs/dbraw/zinc/67/70/49/946677049.db2.gz ZUQHZSNBVJRTHB-GOSISDBHSA-N -1 3 387.443 3.074 20 30 GGEDHM C#CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC[C@H](C)C1 ZINC001573282452 946692315 /nfs/dbraw/zinc/69/23/15/946692315.db2.gz KOXZRGSVSIDTCN-INIZCTEOSA-N -1 3 390.495 3.165 20 30 GGEDHM C#CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC[C@H](C)C1 ZINC001573282452 946692326 /nfs/dbraw/zinc/69/23/26/946692326.db2.gz KOXZRGSVSIDTCN-INIZCTEOSA-N -1 3 390.495 3.165 20 30 GGEDHM C#CCN(CC)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(C)(C)C(C)C ZINC001573283142 946709825 /nfs/dbraw/zinc/70/98/25/946709825.db2.gz PODBTKZDZKTZEI-UHFFFAOYSA-N -1 3 392.511 3.267 20 30 GGEDHM C#CCN(CC)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(C)(C)C(C)C ZINC001573283142 946709832 /nfs/dbraw/zinc/70/98/32/946709832.db2.gz PODBTKZDZKTZEI-UHFFFAOYSA-N -1 3 392.511 3.267 20 30 GGEDHM C#CCCOc1ccc(C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cc1 ZINC001573283398 946714179 /nfs/dbraw/zinc/71/41/79/946714179.db2.gz RVBGMGLZCFIQLM-UHFFFAOYSA-N -1 3 398.806 3.150 20 30 GGEDHM C#CCCOc1ccc(C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cc1 ZINC001573283398 946714185 /nfs/dbraw/zinc/71/41/85/946714185.db2.gz RVBGMGLZCFIQLM-UHFFFAOYSA-N -1 3 398.806 3.150 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@H](C(C)C)C1 ZINC001573283842 946728425 /nfs/dbraw/zinc/72/84/25/946728425.db2.gz YRKWJGHOFDIYES-SFHVURJKSA-N -1 3 390.495 3.021 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@H](C(C)C)C1 ZINC001573283842 946728432 /nfs/dbraw/zinc/72/84/32/946728432.db2.gz YRKWJGHOFDIYES-SFHVURJKSA-N -1 3 390.495 3.021 20 30 GGEDHM C#CCN(CC)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC1(CCC)CC1 ZINC001573284001 946732187 /nfs/dbraw/zinc/73/21/87/946732187.db2.gz YYVMNPVYJBJVNZ-UHFFFAOYSA-N -1 3 390.495 3.165 20 30 GGEDHM C#CCN(CC)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC1(CCC)CC1 ZINC001573284001 946732193 /nfs/dbraw/zinc/73/21/93/946732193.db2.gz YYVMNPVYJBJVNZ-UHFFFAOYSA-N -1 3 390.495 3.165 20 30 GGEDHM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824516997 946758086 /nfs/dbraw/zinc/75/80/86/946758086.db2.gz ZSOIIYBCHLFFCR-CYBMUJFWSA-N -1 3 383.415 3.224 20 30 GGEDHM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824516997 946758092 /nfs/dbraw/zinc/75/80/92/946758092.db2.gz ZSOIIYBCHLFFCR-CYBMUJFWSA-N -1 3 383.415 3.224 20 30 GGEDHM C#CCOc1ccccc1NC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001573287494 946839150 /nfs/dbraw/zinc/83/91/50/946839150.db2.gz CILOBHNMOVOPPE-QGZVFWFLSA-N -1 3 388.431 3.078 20 30 GGEDHM C#CCOc1ccccc1NC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001573287494 946839161 /nfs/dbraw/zinc/83/91/61/946839161.db2.gz CILOBHNMOVOPPE-QGZVFWFLSA-N -1 3 388.431 3.078 20 30 GGEDHM C#CCOc1ccccc1NC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573288050 946856288 /nfs/dbraw/zinc/85/62/88/946856288.db2.gz HMTNZEXRWAKPTD-UHFFFAOYSA-N -1 3 390.447 3.022 20 30 GGEDHM C#CCOc1ccccc1NC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573288050 946856297 /nfs/dbraw/zinc/85/62/97/946856297.db2.gz HMTNZEXRWAKPTD-UHFFFAOYSA-N -1 3 390.447 3.022 20 30 GGEDHM C#CCOc1ccc(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)cc1 ZINC001573290057 946898052 /nfs/dbraw/zinc/89/80/52/946898052.db2.gz UCGWDORZXJHWCT-UHFFFAOYSA-N -1 3 387.443 3.329 20 30 GGEDHM C#CCOc1ccc(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)cc1 ZINC001573290057 946898062 /nfs/dbraw/zinc/89/80/62/946898062.db2.gz UCGWDORZXJHWCT-UHFFFAOYSA-N -1 3 387.443 3.329 20 30 GGEDHM C#CCSCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001573290542 946905476 /nfs/dbraw/zinc/90/54/76/946905476.db2.gz YUQFFUCDWVTMQS-UHFFFAOYSA-N -1 3 397.891 3.420 20 30 GGEDHM C#CCSCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001573290542 946905485 /nfs/dbraw/zinc/90/54/85/946905485.db2.gz YUQFFUCDWVTMQS-UHFFFAOYSA-N -1 3 397.891 3.420 20 30 GGEDHM C=C(Br)CNC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001573291610 946921856 /nfs/dbraw/zinc/92/18/56/946921856.db2.gz GOGKGMKEZPGBGQ-UHFFFAOYSA-N -1 3 395.261 3.074 20 30 GGEDHM C=C(Br)CNC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001573291610 946921868 /nfs/dbraw/zinc/92/18/68/946921868.db2.gz GOGKGMKEZPGBGQ-UHFFFAOYSA-N -1 3 395.261 3.074 20 30 GGEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824753627 946925998 /nfs/dbraw/zinc/92/59/98/946925998.db2.gz FYXBDXOTFCYHDJ-QLJPJBMISA-N -1 3 378.889 3.055 20 30 GGEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824753627 946926007 /nfs/dbraw/zinc/92/60/07/946926007.db2.gz FYXBDXOTFCYHDJ-QLJPJBMISA-N -1 3 378.889 3.055 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001573293678 946964687 /nfs/dbraw/zinc/96/46/87/946964687.db2.gz FYPWTRSMJYRZMG-LSDHHAIUSA-N -1 3 378.484 3.184 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001573293678 946964693 /nfs/dbraw/zinc/96/46/93/946964693.db2.gz FYPWTRSMJYRZMG-LSDHHAIUSA-N -1 3 378.484 3.184 20 30 GGEDHM C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573293930 946971821 /nfs/dbraw/zinc/97/18/21/946971821.db2.gz OLEDUCMUIJLJFN-UHFFFAOYSA-N -1 3 380.427 3.294 20 30 GGEDHM C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573293930 946971831 /nfs/dbraw/zinc/97/18/31/946971831.db2.gz OLEDUCMUIJLJFN-UHFFFAOYSA-N -1 3 380.427 3.294 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001573293944 946972800 /nfs/dbraw/zinc/97/28/00/946972800.db2.gz OUWJBPQOCAVSNT-HUUCEWRRSA-N -1 3 378.484 3.326 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001573293944 946972806 /nfs/dbraw/zinc/97/28/06/946972806.db2.gz OUWJBPQOCAVSNT-HUUCEWRRSA-N -1 3 378.484 3.326 20 30 GGEDHM C=C(CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1)c1ccccc1 ZINC001573294402 946987361 /nfs/dbraw/zinc/98/73/61/946987361.db2.gz FDHFEACTPQWDDR-UHFFFAOYSA-N -1 3 399.252 3.464 20 30 GGEDHM C=C(CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1)c1ccccc1 ZINC001573294402 946987366 /nfs/dbraw/zinc/98/73/66/946987366.db2.gz FDHFEACTPQWDDR-UHFFFAOYSA-N -1 3 399.252 3.464 20 30 GGEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(CC1CC1)C1CCC1 ZINC001573295918 947030260 /nfs/dbraw/zinc/03/02/60/947030260.db2.gz VSRAHZPOANYRHN-UHFFFAOYSA-N -1 3 390.495 3.470 20 30 GGEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(CC1CC1)C1CCC1 ZINC001573295918 947030271 /nfs/dbraw/zinc/03/02/71/947030271.db2.gz VSRAHZPOANYRHN-UHFFFAOYSA-N -1 3 390.495 3.470 20 30 GGEDHM C=C(Cl)Cn1c([C@H](C)CC)nnc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573298162 947071836 /nfs/dbraw/zinc/07/18/36/947071836.db2.gz MZJQPYVADRZZAQ-GFCCVEGCSA-N -1 3 386.891 3.361 20 30 GGEDHM C=C(Cl)Cn1c([C@H](C)CC)nnc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573298162 947071847 /nfs/dbraw/zinc/07/18/47/947071847.db2.gz MZJQPYVADRZZAQ-GFCCVEGCSA-N -1 3 386.891 3.361 20 30 GGEDHM CCC(CC)CN(CCC#N)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825106790 947075955 /nfs/dbraw/zinc/07/59/55/947075955.db2.gz IIKLCJZOECGODU-UHFFFAOYSA-N -1 3 392.511 3.419 20 30 GGEDHM C=C(Cl)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC=C(C)CC1 ZINC001573299402 947093578 /nfs/dbraw/zinc/09/35/78/947093578.db2.gz TWXDPKGPRSSYGR-UHFFFAOYSA-N -1 3 382.859 3.034 20 30 GGEDHM C=C(Cl)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC=C(C)CC1 ZINC001573299402 947093589 /nfs/dbraw/zinc/09/35/89/947093589.db2.gz TWXDPKGPRSSYGR-UHFFFAOYSA-N -1 3 382.859 3.034 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001573299667 947099270 /nfs/dbraw/zinc/09/92/70/947099270.db2.gz KUFGLHDQZOZHST-OTYXRUKQSA-N -1 3 382.237 3.161 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001573299667 947099292 /nfs/dbraw/zinc/09/92/92/947099292.db2.gz KUFGLHDQZOZHST-OTYXRUKQSA-N -1 3 382.237 3.161 20 30 GGEDHM C=C(Cl)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)Cc1ccco1 ZINC001573300557 947115340 /nfs/dbraw/zinc/11/53/40/947115340.db2.gz YXGNCMIRKMURJH-UHFFFAOYSA-N -1 3 396.842 3.107 20 30 GGEDHM C=C(Cl)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)Cc1ccco1 ZINC001573300557 947115350 /nfs/dbraw/zinc/11/53/50/947115350.db2.gz YXGNCMIRKMURJH-UHFFFAOYSA-N -1 3 396.842 3.107 20 30 GGEDHM C=CCC[C@@H](C(=O)N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC001573327791 947396834 /nfs/dbraw/zinc/39/68/34/947396834.db2.gz KWRJQOKMWSMKGW-HXUWFJFHSA-N -1 3 388.475 3.239 20 30 GGEDHM C=CCC[C@@H](C(=O)N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC001573327791 947396845 /nfs/dbraw/zinc/39/68/45/947396845.db2.gz KWRJQOKMWSMKGW-HXUWFJFHSA-N -1 3 388.475 3.239 20 30 GGEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001573329559 947423081 /nfs/dbraw/zinc/42/30/81/947423081.db2.gz KYLGZNSYZFTHLI-FZMZJTMJSA-N -1 3 390.285 3.494 20 30 GGEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001573329559 947423083 /nfs/dbraw/zinc/42/30/83/947423083.db2.gz KYLGZNSYZFTHLI-FZMZJTMJSA-N -1 3 390.285 3.494 20 30 GGEDHM C=CCC[C@@H](CO)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC001573334549 947457630 /nfs/dbraw/zinc/45/76/30/947457630.db2.gz NRZZPMNGPZDYHY-AWEZNQCLSA-N -1 3 395.488 3.075 20 30 GGEDHM C=CCC[C@@H](CO)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC001573334549 947457639 /nfs/dbraw/zinc/45/76/39/947457639.db2.gz NRZZPMNGPZDYHY-AWEZNQCLSA-N -1 3 395.488 3.075 20 30 GGEDHM C=CCCC1(CNC(=O)NCc2ccc(-c3nnn[n-]3)c(OC)c2)CCCC1 ZINC001573335026 947470204 /nfs/dbraw/zinc/47/02/04/947470204.db2.gz VFPLACPIWNKYJD-UHFFFAOYSA-N -1 3 384.484 3.201 20 30 GGEDHM C=CCCC1(CNC(=O)NCc2ccc(-c3nn[n-]n3)c(OC)c2)CCCC1 ZINC001573335026 947470206 /nfs/dbraw/zinc/47/02/06/947470206.db2.gz VFPLACPIWNKYJD-UHFFFAOYSA-N -1 3 384.484 3.201 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(F)c(N(C)C)cc1F ZINC001573340942 947524937 /nfs/dbraw/zinc/52/49/37/947524937.db2.gz DUGIMWBCVYQGKQ-UHFFFAOYSA-N -1 3 384.434 3.399 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ocnc1-c1ccccc1 ZINC001573342425 947541155 /nfs/dbraw/zinc/54/11/55/947541155.db2.gz YBIYQEIRZLGGPV-UHFFFAOYSA-N -1 3 386.415 3.350 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ocnc1-c1ccccc1 ZINC001573342425 947541165 /nfs/dbraw/zinc/54/11/65/947541165.db2.gz YBIYQEIRZLGGPV-UHFFFAOYSA-N -1 3 386.415 3.350 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)C1CCCCC1 ZINC001573347186 947570931 /nfs/dbraw/zinc/57/09/31/947570931.db2.gz ATEOUCAJOUDTKQ-UHFFFAOYSA-N -1 3 378.484 3.470 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)C1CCCCC1 ZINC001573347186 947570939 /nfs/dbraw/zinc/57/09/39/947570939.db2.gz ATEOUCAJOUDTKQ-UHFFFAOYSA-N -1 3 378.484 3.470 20 30 GGEDHM C=CCc1cc(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)cc(OC)c1OC ZINC001573347203 947571722 /nfs/dbraw/zinc/57/17/22/947571722.db2.gz AWORHEMDOYWDFN-UHFFFAOYSA-N -1 3 397.410 3.312 20 30 GGEDHM C=CCc1cc(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)cc(OC)c1OC ZINC001573347203 947571729 /nfs/dbraw/zinc/57/17/29/947571729.db2.gz AWORHEMDOYWDFN-UHFFFAOYSA-N -1 3 397.410 3.312 20 30 GGEDHM C=CCOc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC001573347275 947572820 /nfs/dbraw/zinc/57/28/20/947572820.db2.gz BKFHEUHXWTWLRC-UHFFFAOYSA-N -1 3 383.839 3.290 20 30 GGEDHM C=CCOc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC001573347275 947572827 /nfs/dbraw/zinc/57/28/27/947572827.db2.gz BKFHEUHXWTWLRC-UHFFFAOYSA-N -1 3 383.839 3.290 20 30 GGEDHM C=CCSCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(CC)C1CC1 ZINC001573347368 947574708 /nfs/dbraw/zinc/57/47/08/947574708.db2.gz CXUFQGOUDACUSJ-UHFFFAOYSA-N -1 3 396.524 3.033 20 30 GGEDHM C=CCSCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(CC)C1CC1 ZINC001573347368 947574714 /nfs/dbraw/zinc/57/47/14/947574714.db2.gz CXUFQGOUDACUSJ-UHFFFAOYSA-N -1 3 396.524 3.033 20 30 GGEDHM C=CCn1c(CC2CCCC2)nnc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573347600 947575069 /nfs/dbraw/zinc/57/50/69/947575069.db2.gz DTYZMHWGWKQVQN-UHFFFAOYSA-N -1 3 378.484 3.013 20 30 GGEDHM C=CCn1c(CC2CCCC2)nnc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573347600 947575073 /nfs/dbraw/zinc/57/50/73/947575073.db2.gz DTYZMHWGWKQVQN-UHFFFAOYSA-N -1 3 378.484 3.013 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC(CC)(CC)C1 ZINC001573348402 947583337 /nfs/dbraw/zinc/58/33/37/947583337.db2.gz QFEAZCVFMOBQEH-UHFFFAOYSA-N -1 3 378.484 3.328 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC(CC)(CC)C1 ZINC001573348402 947583345 /nfs/dbraw/zinc/58/33/45/947583345.db2.gz QFEAZCVFMOBQEH-UHFFFAOYSA-N -1 3 378.484 3.328 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc1OC ZINC001573348973 947589040 /nfs/dbraw/zinc/58/90/40/947589040.db2.gz XKOQQOIPUFLVSE-FNORWQNLSA-N -1 3 395.394 3.231 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc1OC ZINC001573348973 947589045 /nfs/dbraw/zinc/58/90/45/947589045.db2.gz XKOQQOIPUFLVSE-FNORWQNLSA-N -1 3 395.394 3.231 20 30 GGEDHM C=CCc1cc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC001573348976 947589259 /nfs/dbraw/zinc/58/92/59/947589259.db2.gz XKRJWBFIFZTKID-UHFFFAOYSA-N -1 3 383.383 3.004 20 30 GGEDHM C=CCc1cc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC001573348976 947589265 /nfs/dbraw/zinc/58/92/65/947589265.db2.gz XKRJWBFIFZTKID-UHFFFAOYSA-N -1 3 383.383 3.004 20 30 GGEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001573348965 947590120 /nfs/dbraw/zinc/59/01/20/947590120.db2.gz XJDOYMFNSKZYFJ-YOEHRIQHSA-N -1 3 376.468 3.080 20 30 GGEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001573348965 947590123 /nfs/dbraw/zinc/59/01/23/947590123.db2.gz XJDOYMFNSKZYFJ-YOEHRIQHSA-N -1 3 376.468 3.080 20 30 GGEDHM N#Cc1ccc(NC(=O)CC2CCC(C(F)(F)F)CC2)cc1-c1nnn[n-]1 ZINC000826385216 948187580 /nfs/dbraw/zinc/18/75/80/948187580.db2.gz BUQOCUQKESFOOX-UHFFFAOYSA-N -1 3 378.358 3.436 20 30 GGEDHM N#Cc1ccc(NC(=O)CC2CCC(C(F)(F)F)CC2)cc1-c1nn[n-]n1 ZINC000826385216 948187588 /nfs/dbraw/zinc/18/75/88/948187588.db2.gz BUQOCUQKESFOOX-UHFFFAOYSA-N -1 3 378.358 3.436 20 30 GGEDHM O=C(C=Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826403655 948229232 /nfs/dbraw/zinc/22/92/32/948229232.db2.gz YMVDZYFAZDDXBX-DAXSKMNVSA-N -1 3 395.785 3.136 20 30 GGEDHM O=C(C=Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826403655 948229243 /nfs/dbraw/zinc/22/92/43/948229243.db2.gz YMVDZYFAZDDXBX-DAXSKMNVSA-N -1 3 395.785 3.136 20 30 GGEDHM CC1(C#N)CN(C(=O)Nc2ccc(Oc3ccccc3)c(-c3nnn[n-]3)c2)C1 ZINC001575523989 949306749 /nfs/dbraw/zinc/30/67/49/949306749.db2.gz FYEZQUYPMIILDQ-UHFFFAOYSA-N -1 3 375.392 3.036 20 30 GGEDHM CC1(C#N)CN(C(=O)Nc2ccc(Oc3ccccc3)c(-c3nn[n-]n3)c2)C1 ZINC001575523989 949306773 /nfs/dbraw/zinc/30/67/73/949306773.db2.gz FYEZQUYPMIILDQ-UHFFFAOYSA-N -1 3 375.392 3.036 20 30 GGEDHM CCN(CC)[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589722965 950434496 /nfs/dbraw/zinc/43/44/96/950434496.db2.gz KTNDTRDWCVIAAA-MAUKXSAKSA-N -1 3 399.413 3.209 20 30 GGEDHM CC(C)(C)Oc1ccc(NC(=O)c2ccc(C#N)c(Cl)n2)cc1-c1nnn[n-]1 ZINC001573876024 950657921 /nfs/dbraw/zinc/65/79/21/950657921.db2.gz BPIQPDZFZZIVAI-UHFFFAOYSA-N -1 3 397.826 3.216 20 30 GGEDHM CC(C)(C)Oc1ccc(NC(=O)c2ccc(C#N)c(Cl)n2)cc1-c1nn[n-]n1 ZINC001573876024 950657935 /nfs/dbraw/zinc/65/79/35/950657935.db2.gz BPIQPDZFZZIVAI-UHFFFAOYSA-N -1 3 397.826 3.216 20 30 GGEDHM CC(C)(C)Oc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)s2)cc1C#N ZINC001573876114 950663087 /nfs/dbraw/zinc/66/30/87/950663087.db2.gz DKRCJFNTEDAFKI-UHFFFAOYSA-N -1 3 397.464 3.299 20 30 GGEDHM C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589300001 953686348 /nfs/dbraw/zinc/68/63/48/953686348.db2.gz QIHSAOSOAAOCSC-YXAKOPBCSA-N -1 3 397.519 3.106 20 30 GGEDHM CC(C)c1[nH]c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C(=O)[O-] ZINC001591912313 976341622 /nfs/dbraw/zinc/34/16/22/976341622.db2.gz JTRIGOWDGIMWEM-UHFFFAOYSA-N -1 3 380.492 3.416 20 30 GGEDHM CC[C@@H](C#N)Oc1cc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC ZINC000736848772 978361701 /nfs/dbraw/zinc/36/17/01/978361701.db2.gz NDODABBBOIURAN-FXAWDEMLSA-N -1 3 379.416 3.163 20 30 GGEDHM C=CCCC[C@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000910916467 982163442 /nfs/dbraw/zinc/16/34/42/982163442.db2.gz WBMUIYGOYBWTBH-LPHOPBHVSA-N -1 3 398.425 3.367 20 30 GGEDHM CCCN(Cc1ccc(C#N)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595885800 982909959 /nfs/dbraw/zinc/90/99/59/982909959.db2.gz HETMLSAMLDTXIZ-UHFFFAOYSA-N -1 3 383.404 3.342 20 30 GGEDHM C#C[C@@H](NCc1ccccc1OCc1ccc(C(=O)[O-])cc1)C1CCOCC1 ZINC001588377981 983359960 /nfs/dbraw/zinc/35/99/60/983359960.db2.gz SZZDQNAMPPNLIZ-OAQYLSRUSA-N -1 3 379.456 3.482 20 30 GGEDHM C#CC[C@H]1CCCN(Cn2ncc3c2ccc(Br)c3C(=O)[O-])C1 ZINC001588434624 983471456 /nfs/dbraw/zinc/47/14/56/983471456.db2.gz OVVMBWPSJMNAPD-LBPRGKRZSA-N -1 3 376.254 3.190 20 30 GGEDHM C#CCN1CCC(C(=O)N[C@@H](CC(=O)[O-])c2ccc(-c3ccccc3)cc2)CC1 ZINC001588471729 983507665 /nfs/dbraw/zinc/50/76/65/983507665.db2.gz YREMGJQHEDAJIZ-QFIPXVFZSA-N -1 3 390.483 3.331 20 30 GGEDHM C=C[C@H](C(=O)[O-])N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588670067 983817095 /nfs/dbraw/zinc/81/70/95/983817095.db2.gz VETGHELBCDPCEP-GVDBMIGSSA-N -1 3 378.444 3.148 20 30 GGEDHM CCO[C@H]1C[C@](NCc2cc(C#N)ccc2Br)(C(=O)[O-])C1(C)C ZINC001596838462 985507482 /nfs/dbraw/zinc/50/74/82/985507482.db2.gz OBUMTOKMYCFINA-YOEHRIQHSA-N -1 3 381.270 3.069 20 30 GGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001589331532 986187615 /nfs/dbraw/zinc/18/76/15/986187615.db2.gz HNUCHCBDLJWHLH-GJRWTSMGSA-N -1 3 387.505 3.062 20 30 GGEDHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc(C3(C#N)CC3)cc2)[C@H](C(=O)[O-])C1 ZINC001590034758 989050333 /nfs/dbraw/zinc/05/03/33/989050333.db2.gz LSQGBBHFBPSZQG-SFHVURJKSA-N -1 3 399.491 3.138 20 30 GGEDHM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001599866400 989269184 /nfs/dbraw/zinc/26/91/84/989269184.db2.gz LLKTZTJILLQBOX-HUUCEWRRSA-N -1 3 387.480 3.239 20 30 GGEDHM CC(C)(C)OC(=O)NCC12CCC(CC1)CN2[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001590168343 989488650 /nfs/dbraw/zinc/48/86/50/989488650.db2.gz HHSNRBMCSDILBJ-TUAABQIMSA-N -1 3 399.491 3.453 20 30 GGEDHM CN(C)[C@H](CNc1ccc(C(=O)[O-])nc1C#N)c1cccc(C(F)(F)F)c1 ZINC001598175731 990725234 /nfs/dbraw/zinc/72/52/34/990725234.db2.gz HGCREYHCVWTHEB-MRXNPFEDSA-N -1 3 378.354 3.385 20 30 GGEDHM COc1ccccc1[C@H](CNc1ccc(C(=O)[O-])nc1C#N)N1CCCCC1 ZINC001599697637 991171649 /nfs/dbraw/zinc/17/16/49/991171649.db2.gz HHWFLLFQQJZPGP-IBGZPJMESA-N -1 3 380.448 3.299 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC001599590519 993674622 /nfs/dbraw/zinc/67/46/22/993674622.db2.gz NMGDTRFDGBFZKT-LBPRGKRZSA-N -1 3 390.754 3.147 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC001599590503 993674707 /nfs/dbraw/zinc/67/47/07/993674707.db2.gz NMGDTRFDGBFZKT-GFCCVEGCSA-N -1 3 390.754 3.147 20 30 GGEDHM C[C@@H](Oc1ccccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001593644803 995966191 /nfs/dbraw/zinc/96/61/91/995966191.db2.gz DENHURVKZCZYLC-GOSISDBHSA-N -1 3 393.487 3.118 20 30 GGEDHM COCCN(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccc(C#N)cc1 ZINC001599237202 997967132 /nfs/dbraw/zinc/96/71/32/997967132.db2.gz OPOXAHAVNMZBTL-UHFFFAOYSA-N -1 3 388.851 3.437 20 30 GGEDHM COC(=O)c1cccc([C@H](C(=O)[O-])N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC001598997558 998793650 /nfs/dbraw/zinc/79/36/50/998793650.db2.gz UFKKKMUBDQQSGV-HXUWFJFHSA-N -1 3 394.427 3.014 20 30 GGEDHM C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001594292507 999128192 /nfs/dbraw/zinc/12/81/92/999128192.db2.gz QIHSAOSOAAOCSC-NVDOGXPFSA-N -1 3 397.519 3.106 20 30 GGEDHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(C(F)(F)F)ccc1F ZINC000277259896 1126078560 /nfs/dbraw/zinc/07/85/60/1126078560.db2.gz KPOAQXPHWCGSRN-LLVKDONJSA-N -1 3 399.266 3.303 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000007738635 204248950 /nfs/dbraw/zinc/24/89/50/204248950.db2.gz VDUKYGJQZFFHKB-UHFFFAOYSA-N -1 3 378.476 3.425 20 30 GGEDHM N#Cc1ccsc1[N-]C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000008037008 204259598 /nfs/dbraw/zinc/25/95/98/204259598.db2.gz VZQVOJSMMDLIBS-UHFFFAOYSA-N -1 3 395.893 3.310 20 30 GGEDHM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000225414077 206045198 /nfs/dbraw/zinc/04/51/98/206045198.db2.gz XWBUZXZSOAHAAL-OAHLLOKOSA-N -1 3 396.466 3.036 20 30 GGEDHM Cc1cc(NCCNC(=O)c2ccc([O-])cc2)n2c3ccccc3nc2c1C#N ZINC000071955312 206209423 /nfs/dbraw/zinc/20/94/23/206209423.db2.gz RZYPAGAHMUMWNI-UHFFFAOYSA-N -1 3 385.427 3.215 20 30 GGEDHM CCNC(=O)COc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1OC ZINC000096920042 521738499 /nfs/dbraw/zinc/73/84/99/521738499.db2.gz OZCVCZKTXWCIFD-IGVUGNCQSA-N -1 3 399.418 3.438 20 30 GGEDHM C[C@@H]1CCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000004880323 564208220 /nfs/dbraw/zinc/20/82/20/564208220.db2.gz TWCHSPGJMUDMBZ-ZJUUUORDSA-N -1 3 395.344 3.324 20 30 GGEDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)c1c(C)noc1C ZINC000119260440 564262662 /nfs/dbraw/zinc/26/26/62/564262662.db2.gz FBVYOYQGUVAVKR-AWEZNQCLSA-N -1 3 398.282 3.355 20 30 GGEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2cccs2)cc1C(F)(F)F ZINC000120015885 564299797 /nfs/dbraw/zinc/29/97/97/564299797.db2.gz CDOCOICTIPQBKV-UHFFFAOYSA-N -1 3 375.397 3.029 20 30 GGEDHM COc1cc(Br)c(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)cc1Cl ZINC000121754902 564384764 /nfs/dbraw/zinc/38/47/64/564384764.db2.gz XLHXWZFCHZIRCX-GFCCVEGCSA-N -1 3 395.706 3.328 20 30 GGEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000122003010 564396522 /nfs/dbraw/zinc/39/65/22/564396522.db2.gz SUYLTZQTCBNUFC-ZETCQYMHSA-N -1 3 376.697 3.178 20 30 GGEDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000122963554 564433012 /nfs/dbraw/zinc/43/30/12/564433012.db2.gz KRJZYCITLLZQNM-UHFFFAOYSA-N -1 3 375.397 3.074 20 30 GGEDHM C=CCC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000123075744 564437105 /nfs/dbraw/zinc/43/71/05/564437105.db2.gz WPKYAKZMHKNHPF-GOEBONIOSA-N -1 3 378.519 3.239 20 30 GGEDHM C=CCC[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000123075540 564437330 /nfs/dbraw/zinc/43/73/30/564437330.db2.gz WPKYAKZMHKNHPF-ZBFHGGJFSA-N -1 3 378.519 3.239 20 30 GGEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccc(C#N)c1 ZINC000042007556 564440150 /nfs/dbraw/zinc/44/01/50/564440150.db2.gz VAPKKPMSQUSRCD-UHFFFAOYSA-N -1 3 395.278 3.198 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)cc1Br ZINC000045992025 564492100 /nfs/dbraw/zinc/49/21/00/564492100.db2.gz OCJHFYCCXQKKIT-UHFFFAOYSA-N -1 3 392.228 3.336 20 30 GGEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CC#N)cc1Br ZINC000125418720 564513951 /nfs/dbraw/zinc/51/39/51/564513951.db2.gz RIRPBEDGSQIOBT-QMMMGPOBSA-N -1 3 396.104 3.101 20 30 GGEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000125704860 564523927 /nfs/dbraw/zinc/52/39/27/564523927.db2.gz RILQGRGLGWFHRV-QMMMGPOBSA-N -1 3 383.105 3.373 20 30 GGEDHM N#CC(=C([O-])c1cc(F)cc(Br)c1)c1nnc2n1CCCCC2 ZINC000054726968 564608400 /nfs/dbraw/zinc/60/84/00/564608400.db2.gz LKCJMJLWSTZFAZ-ZDUSSCGKSA-N -1 3 377.217 3.396 20 30 GGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000055546656 564623252 /nfs/dbraw/zinc/62/32/52/564623252.db2.gz ZAAAKWJHRZBZLM-UHFFFAOYSA-N -1 3 395.278 3.166 20 30 GGEDHM N#Cc1cnc2ccccc2c1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000128758073 564629674 /nfs/dbraw/zinc/62/96/74/564629674.db2.gz YFEKGDLFBMNTLL-UHFFFAOYSA-N -1 3 392.893 3.212 20 30 GGEDHM N#CC(=C([O-])c1ccc(Br)c(F)c1)c1nnc2n1CCCCC2 ZINC000064102090 564726670 /nfs/dbraw/zinc/72/66/70/564726670.db2.gz XVQFQJGUUVBCBD-LLVKDONJSA-N -1 3 377.217 3.396 20 30 GGEDHM COc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1Br ZINC000135367222 564830190 /nfs/dbraw/zinc/83/01/90/564830190.db2.gz XIEMGZOICYTGFB-UHFFFAOYSA-N -1 3 385.214 3.269 20 30 GGEDHM CC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000102351828 564928717 /nfs/dbraw/zinc/92/87/17/564928717.db2.gz FGHJVOMSQDZFHS-CYBMUJFWSA-N -1 3 377.853 3.173 20 30 GGEDHM O=S(=O)([N-]CCCOCC(F)(F)F)c1cc(C(F)(F)F)ccc1F ZINC000103154311 564943922 /nfs/dbraw/zinc/94/39/22/564943922.db2.gz XGIBEWXZRCKOMF-UHFFFAOYSA-N -1 3 383.285 3.092 20 30 GGEDHM N#Cc1ccc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)nc1 ZINC000110415684 565040854 /nfs/dbraw/zinc/04/08/54/565040854.db2.gz RTQDENNOSSOXQR-UHFFFAOYSA-N -1 3 386.234 3.487 20 30 GGEDHM COc1cc(/C=C/C(=O)N(CCC#N)CC2CC2)cc(Br)c1[O-] ZINC000183566249 565079659 /nfs/dbraw/zinc/07/96/59/565079659.db2.gz VBCHNQOTLQDBHC-AATRIKPKSA-N -1 3 379.254 3.329 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)c(Cl)c1 ZINC000183632066 565083185 /nfs/dbraw/zinc/08/31/85/565083185.db2.gz DKVMFULIHCGZQC-SJLPKXTDSA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC000156982119 565114747 /nfs/dbraw/zinc/11/47/47/565114747.db2.gz PBUQEYGLFGIHQP-UHFFFAOYSA-N -1 3 379.825 3.031 20 30 GGEDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000267535627 565120784 /nfs/dbraw/zinc/12/07/84/565120784.db2.gz SOALPIILCPSUDP-VIFPVBQESA-N -1 3 375.397 3.382 20 30 GGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000184809349 565158017 /nfs/dbraw/zinc/15/80/17/565158017.db2.gz PLTZGKLUKPNZDQ-UHFFFAOYSA-N -1 3 385.214 3.269 20 30 GGEDHM N#Cc1ccc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)c(Cl)c1 ZINC000269209173 565181424 /nfs/dbraw/zinc/18/14/24/565181424.db2.gz GCGRBXJCZOCZSD-UHFFFAOYSA-N -1 3 395.893 3.310 20 30 GGEDHM CSCC[N-]C(=S)C(C(=O)c1cc(C)sc1C)[n+]1cccc([O-])c1 ZINC000269679110 565196375 /nfs/dbraw/zinc/19/63/75/565196375.db2.gz DZIAUHJGUVWACO-UHFFFAOYSA-O -1 3 381.568 3.249 20 30 GGEDHM CSCC[N-]C(=S)C(C(=O)c1cc(C)sc1C)[n+]1cc([O-])ccc1F ZINC000269671348 565196619 /nfs/dbraw/zinc/19/66/19/565196619.db2.gz BIZKMHPCRZOPTJ-UHFFFAOYSA-O -1 3 399.558 3.389 20 30 GGEDHM Cc1csc(C2([N-]S(=O)(=O)Cc3ccc(F)cc3C#N)CCCC2)n1 ZINC000294099200 565198899 /nfs/dbraw/zinc/19/88/99/565198899.db2.gz BWLZBPICSLVPDT-UHFFFAOYSA-N -1 3 379.482 3.351 20 30 GGEDHM CSCCC[N-]C(=S)C(C(=O)c1ccc(C)s1)[n+]1cc([O-])ccc1F ZINC000160440114 565245680 /nfs/dbraw/zinc/24/56/80/565245680.db2.gz YLKLFBBRNAARJC-UHFFFAOYSA-O -1 3 399.558 3.470 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2Br)c1 ZINC000160710619 565256874 /nfs/dbraw/zinc/25/68/74/565256874.db2.gz VMMWSKCFVVLTQJ-UHFFFAOYSA-N -1 3 385.670 3.453 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000186399829 565259086 /nfs/dbraw/zinc/25/90/86/565259086.db2.gz ARJAHGVLXBDDID-HNNXBMFYSA-N -1 3 375.881 3.016 20 30 GGEDHM N#Cc1cc(Cl)ccc1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000186491834 565263022 /nfs/dbraw/zinc/26/30/22/565263022.db2.gz RMZQOHRBFKEEEX-UHFFFAOYSA-N -1 3 395.937 3.216 20 30 GGEDHM N#C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C1CCCCC1 ZINC000161153795 565275306 /nfs/dbraw/zinc/27/53/06/565275306.db2.gz DJTSQHNRKGSMCH-CYBMUJFWSA-N -1 3 375.263 3.339 20 30 GGEDHM N#C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C1CCCCC1 ZINC000161153669 565275349 /nfs/dbraw/zinc/27/53/49/565275349.db2.gz DJTSQHNRKGSMCH-ZDUSSCGKSA-N -1 3 375.263 3.339 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c1 ZINC000186925680 565295531 /nfs/dbraw/zinc/29/55/31/565295531.db2.gz CHZHWUXPVMSQDG-UHFFFAOYSA-N -1 3 385.228 3.437 20 30 GGEDHM N#CC(=C([O-])c1cc(I)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000161935145 565297423 /nfs/dbraw/zinc/29/74/23/565297423.db2.gz VTFUOCDYOLUKSY-GFCCVEGCSA-N -1 3 393.140 3.084 20 30 GGEDHM O=C1[C@H](/N=C/c2cc(Br)ccc2[O-])CCCN1Cc1ccccn1 ZINC000273322161 565316621 /nfs/dbraw/zinc/31/66/21/565316621.db2.gz GJEVHXMBLGZSKD-BTZNOAQDSA-N -1 3 388.265 3.160 20 30 GGEDHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000273619085 565327391 /nfs/dbraw/zinc/32/73/91/565327391.db2.gz VNVYJRJJIHFXJA-NEPJUHHUSA-N -1 3 376.400 3.061 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000163354725 565343491 /nfs/dbraw/zinc/34/34/91/565343491.db2.gz DFZZRUYZJIGTDD-RDJZCZTQSA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163351549 565343847 /nfs/dbraw/zinc/34/38/47/565343847.db2.gz MUVOFYYCOCYPBD-IAGOWNOFSA-N -1 3 376.865 3.410 20 30 GGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000187767634 565353434 /nfs/dbraw/zinc/35/34/34/565353434.db2.gz QXCOAZCJZLEJHK-GJZGRUSLSA-N -1 3 386.901 3.258 20 30 GGEDHM COc1cc(OC)c(/N=C/c2c([O-])c(C)ncc2CO)cc1Br ZINC000275338566 565404865 /nfs/dbraw/zinc/40/48/65/565404865.db2.gz WQDOMVIPEZOSNR-FBCYGCLPSA-N -1 3 381.226 3.118 20 30 GGEDHM C=CCC[C@@H](C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)c1ccccc1 ZINC000188967195 565435118 /nfs/dbraw/zinc/43/51/18/565435118.db2.gz GXKXVXAURIWJCX-MRXNPFEDSA-N -1 3 378.519 3.022 20 30 GGEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000171537752 565436555 /nfs/dbraw/zinc/43/65/55/565436555.db2.gz RNGWNGOOODVWBC-UHFFFAOYSA-N -1 3 393.734 3.031 20 30 GGEDHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCCCC#N ZINC000171714004 565447011 /nfs/dbraw/zinc/44/70/11/565447011.db2.gz MIWBZPSDOGIYST-UHFFFAOYSA-N -1 3 381.679 3.083 20 30 GGEDHM C[C@@H](c1ccc(C#N)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000172395264 565483593 /nfs/dbraw/zinc/48/35/93/565483593.db2.gz BYTDQHNTYZYQOK-AWEZNQCLSA-N -1 3 375.519 3.124 20 30 GGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000172589833 565494172 /nfs/dbraw/zinc/49/41/72/565494172.db2.gz OSGAIZALDAHDCH-UHFFFAOYSA-N -1 3 378.837 3.482 20 30 GGEDHM C[C@H]1CCCC[C@H]1[N-]C(=S)C(C(=O)c1nccs1)[n+]1cccc([O-])c1 ZINC000278212554 565545324 /nfs/dbraw/zinc/54/53/24/565545324.db2.gz IBNOQRJJGVWTPT-GXTWGEPZSA-O -1 3 376.527 3.243 20 30 GGEDHM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000390359367 565555961 /nfs/dbraw/zinc/55/59/61/565555961.db2.gz KQDOIHYYCIGFNZ-UHFFFAOYSA-N -1 3 378.881 3.485 20 30 GGEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N(C)Cc1ccccc1 ZINC000390758681 565557433 /nfs/dbraw/zinc/55/74/33/565557433.db2.gz KHXWOVRTZRGEAN-CQSZACIVSA-N -1 3 377.897 3.010 20 30 GGEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000173742061 565581236 /nfs/dbraw/zinc/58/12/36/565581236.db2.gz LUODTCMZIDROND-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000173741587 565581674 /nfs/dbraw/zinc/58/16/74/565581674.db2.gz NDNWAQGIYZDUFL-UHFFFAOYSA-N -1 3 376.306 3.334 20 30 GGEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c1 ZINC000408023600 565590671 /nfs/dbraw/zinc/59/06/71/565590671.db2.gz SRSGBUUMAMFQEI-UHFFFAOYSA-N -1 3 379.226 3.177 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000173836392 565592083 /nfs/dbraw/zinc/59/20/83/565592083.db2.gz CTHWHKSNHYVOFP-LLVKDONJSA-N -1 3 375.397 3.463 20 30 GGEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000173836027 565592234 /nfs/dbraw/zinc/59/22/34/565592234.db2.gz TXYNHJWFBXXLLB-NSHDSACASA-N -1 3 375.397 3.463 20 30 GGEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2nccnc2c1Br ZINC000323591691 565613964 /nfs/dbraw/zinc/61/39/64/565613964.db2.gz GFYUPQAGECSYMJ-UHFFFAOYSA-N -1 3 389.234 3.065 20 30 GGEDHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H]1C1CCOCC1 ZINC000329401451 565665722 /nfs/dbraw/zinc/66/57/22/565665722.db2.gz ZAWZDWIXGIXZFG-OAHLLOKOSA-N -1 3 383.286 3.460 20 30 GGEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCCCC23CCCC3)s1 ZINC000329608892 565673154 /nfs/dbraw/zinc/67/31/54/565673154.db2.gz ITGQHDVHMZHBMW-CQSZACIVSA-N -1 3 385.555 3.163 20 30 GGEDHM COc1ccc(Br)c(CS(=O)(=O)[N-]C2(C#N)CCCCC2)c1 ZINC000330375300 565704156 /nfs/dbraw/zinc/70/41/56/565704156.db2.gz CTKFZYUKFRILJK-UHFFFAOYSA-N -1 3 387.299 3.104 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H](c1ccccc1)N(C)C ZINC000192863424 565714951 /nfs/dbraw/zinc/71/49/51/565714951.db2.gz KQXNBUXHOKKFCS-SCLBCKFNSA-N -1 3 377.897 3.181 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H](c1ccccc1)N(C)C ZINC000192863437 565715273 /nfs/dbraw/zinc/71/52/73/565715273.db2.gz KQXNBUXHOKKFCS-FZKQIMNGSA-N -1 3 377.897 3.181 20 30 GGEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000330921196 565729877 /nfs/dbraw/zinc/72/98/77/565729877.db2.gz QDTORSPYBDNOFH-JTQLQIEISA-N -1 3 396.104 3.038 20 30 GGEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332172900 565813274 /nfs/dbraw/zinc/81/32/74/565813274.db2.gz QGNOFDLFTZWWGP-OQPBUACISA-N -1 3 394.656 3.366 20 30 GGEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000332172900 565813279 /nfs/dbraw/zinc/81/32/79/565813279.db2.gz QGNOFDLFTZWWGP-OQPBUACISA-N -1 3 394.656 3.366 20 30 GGEDHM C[C@@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000194670352 565830394 /nfs/dbraw/zinc/83/03/94/565830394.db2.gz WACUYBYROJFZNU-LBPRGKRZSA-N -1 3 377.853 3.173 20 30 GGEDHM C[C@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000194742060 565833793 /nfs/dbraw/zinc/83/37/93/565833793.db2.gz MIIQIEVYAKJVRK-GFCCVEGCSA-N -1 3 377.853 3.173 20 30 GGEDHM Cc1noc(C)c1C(=O)C(C(=S)[N-]C1(C)CC1)[n+]1cccc([O-])c1Cl ZINC000284030867 565840038 /nfs/dbraw/zinc/84/00/38/565840038.db2.gz IOBPYPRJWVXBQF-UHFFFAOYSA-O -1 3 380.877 3.019 20 30 GGEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000285155886 565891706 /nfs/dbraw/zinc/89/17/06/565891706.db2.gz RUUJCTSSAGEUTQ-NSHDSACASA-N -1 3 383.720 3.026 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000178531414 565924216 /nfs/dbraw/zinc/92/42/16/565924216.db2.gz ASGBOHRCKFTUPH-SJLPKXTDSA-N -1 3 376.865 3.410 20 30 GGEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000178685612 565932637 /nfs/dbraw/zinc/93/26/37/565932637.db2.gz ILDQDXGBKSTGAL-UHFFFAOYSA-N -1 3 393.734 3.031 20 30 GGEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c(F)c1 ZINC000178808666 565939215 /nfs/dbraw/zinc/93/92/15/565939215.db2.gz ATJKQMYDLLCUBX-UHFFFAOYSA-N -1 3 380.198 3.132 20 30 GGEDHM COc1cc(/C=C/C(=O)N(CC#N)C2CCCC2)cc(Br)c1[O-] ZINC000180043142 566028451 /nfs/dbraw/zinc/02/84/51/566028451.db2.gz XJPSTVHBKIDVIZ-VOTSOKGWSA-N -1 3 379.254 3.471 20 30 GGEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(F)c(F)c1 ZINC000180183043 566041078 /nfs/dbraw/zinc/04/10/78/566041078.db2.gz OTPKCYXMLOOFED-HNNXBMFYSA-N -1 3 386.807 3.156 20 30 GGEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000180212776 566044899 /nfs/dbraw/zinc/04/48/99/566044899.db2.gz LTBCJGJCWDXXGI-UHFFFAOYSA-N -1 3 382.800 3.328 20 30 GGEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(F)c(F)c1 ZINC000180307777 566053612 /nfs/dbraw/zinc/05/36/12/566053612.db2.gz MEZQXTRPQVRNKC-OAHLLOKOSA-N -1 3 386.807 3.156 20 30 GGEDHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416376259 566059456 /nfs/dbraw/zinc/05/94/56/566059456.db2.gz VHBJORQACLPYPK-LLVKDONJSA-N -1 3 383.267 3.213 20 30 GGEDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416445727 566069673 /nfs/dbraw/zinc/06/96/73/566069673.db2.gz MOAVKVZRRYOYJX-VIFPVBQESA-N -1 3 398.282 3.008 20 30 GGEDHM C[C@@H](C#N)S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000416459641 566070544 /nfs/dbraw/zinc/07/05/44/566070544.db2.gz TXFCIIWTBLWOMQ-KWQFWETISA-N -1 3 385.205 3.274 20 30 GGEDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416459678 566070710 /nfs/dbraw/zinc/07/07/10/566070710.db2.gz UFEKYIRDLWAAGE-JTQLQIEISA-N -1 3 385.205 3.330 20 30 GGEDHM C[C@@H](C#N)S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000416459639 566070773 /nfs/dbraw/zinc/07/07/73/566070773.db2.gz TXFCIIWTBLWOMQ-GZMMTYOYSA-N -1 3 385.205 3.274 20 30 GGEDHM Cc1sc(C2([N-]S(=O)(=O)[C@@H](C)C#N)CCC2)nc1-c1ccccc1F ZINC000416491382 566075061 /nfs/dbraw/zinc/07/50/61/566075061.db2.gz XYJLOSHLQOOQOU-NSHDSACASA-N -1 3 379.482 3.468 20 30 GGEDHM Cc1sc(C2([N-]S(=O)(=O)[C@H](C)C#N)CCC2)nc1-c1ccccc1F ZINC000416491379 566075186 /nfs/dbraw/zinc/07/51/86/566075186.db2.gz XYJLOSHLQOOQOU-LLVKDONJSA-N -1 3 379.482 3.468 20 30 GGEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000416520958 566079814 /nfs/dbraw/zinc/07/98/14/566079814.db2.gz HOOOFSNNSWFSKA-VIFPVBQESA-N -1 3 379.226 3.034 20 30 GGEDHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000416582903 566090819 /nfs/dbraw/zinc/09/08/19/566090819.db2.gz FDRCXAUMAZCCIK-ZUZCIYMTSA-N -1 3 376.400 3.059 20 30 GGEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000180849894 566093650 /nfs/dbraw/zinc/09/36/50/566093650.db2.gz SVKWICGCNNMHIN-CYBMUJFWSA-N -1 3 392.518 3.001 20 30 GGEDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000416666410 566102282 /nfs/dbraw/zinc/10/22/82/566102282.db2.gz WRKWNGANGDMBGC-AWEZNQCLSA-N -1 3 377.447 3.192 20 30 GGEDHM N#CC1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CCC1 ZINC000416675489 566102923 /nfs/dbraw/zinc/10/29/23/566102923.db2.gz XDJXAOCRIMDOMY-UHFFFAOYSA-N -1 3 397.216 3.440 20 30 GGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1Br ZINC000416961900 566116212 /nfs/dbraw/zinc/11/62/12/566116212.db2.gz SUPDFHFLBLAZQF-MRVPVSSYSA-N -1 3 387.177 3.392 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000181598794 566151327 /nfs/dbraw/zinc/15/13/27/566151327.db2.gz FJRKQJUARZBENU-WBVHZDCISA-N -1 3 380.828 3.159 20 30 GGEDHM C[C@@H](C(=O)[O-])[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Br)cc1 ZINC000417643178 566169860 /nfs/dbraw/zinc/16/98/60/566169860.db2.gz ZDPUMAWDSCYATC-BZNIZROVSA-N -1 3 376.254 3.211 20 30 GGEDHM C[C@H](C(=O)[O-])[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Br)cc1 ZINC000417643179 566169950 /nfs/dbraw/zinc/16/99/50/566169950.db2.gz ZDPUMAWDSCYATC-MEDUHNTESA-N -1 3 376.254 3.211 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3ccc(Br)cc3)C2)c1[O-] ZINC000264010528 566204505 /nfs/dbraw/zinc/20/45/05/566204505.db2.gz OJNZTYWBJZTDLP-MNPVBQOISA-N -1 3 390.281 3.048 20 30 GGEDHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183005561 566234496 /nfs/dbraw/zinc/23/44/96/566234496.db2.gz HTWAZAZOCXVINX-UHFFFAOYSA-N -1 3 398.271 3.368 20 30 GGEDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1ccncc1 ZINC000555947690 566263538 /nfs/dbraw/zinc/26/35/38/566263538.db2.gz WAWQQPSTORXYPL-AWEZNQCLSA-N -1 3 380.267 3.145 20 30 GGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000509253311 566283343 /nfs/dbraw/zinc/28/33/43/566283343.db2.gz GIJNMMMOIGWMQB-UHFFFAOYSA-N -1 3 399.697 3.495 20 30 GGEDHM C[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccc(C#N)cc1 ZINC000482133531 566286395 /nfs/dbraw/zinc/28/63/95/566286395.db2.gz UCJRTWOYTNKWMV-NSHDSACASA-N -1 3 384.237 3.273 20 30 GGEDHM C[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccc(C#N)cc1 ZINC000482133529 566286528 /nfs/dbraw/zinc/28/65/28/566286528.db2.gz UCJRTWOYTNKWMV-LLVKDONJSA-N -1 3 384.237 3.273 20 30 GGEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000556392377 566295354 /nfs/dbraw/zinc/29/53/54/566295354.db2.gz IYUGPPDEEVWLPT-UHFFFAOYSA-N -1 3 383.256 3.167 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420713950 566307184 /nfs/dbraw/zinc/30/71/84/566307184.db2.gz YSOXXAYASPZCIN-QMTHXVAHSA-N -1 3 381.828 3.201 20 30 GGEDHM N#Cc1sccc1N1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000600090805 566314603 /nfs/dbraw/zinc/31/46/03/566314603.db2.gz XXGPAAFXHLHLQY-UHFFFAOYSA-N -1 3 392.278 3.050 20 30 GGEDHM N#Cc1c(F)cccc1N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000509546844 566314853 /nfs/dbraw/zinc/31/48/53/566314853.db2.gz WKQAOEKQKMHFCE-UHFFFAOYSA-N -1 3 390.256 3.488 20 30 GGEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000509619082 566321433 /nfs/dbraw/zinc/32/14/33/566321433.db2.gz FNWJDXYTDFONAY-UHFFFAOYSA-N -1 3 382.825 3.292 20 30 GGEDHM N#C[C@H]1N(C(=O)Cc2ccc(Br)cc2[O-])CCC[C@]12CCCCO2 ZINC000509655997 566325868 /nfs/dbraw/zinc/32/58/68/566325868.db2.gz FFCFRLUVCAQRFN-SJLPKXTDSA-N -1 3 393.281 3.151 20 30 GGEDHM N#Cc1ccccc1COc1cccc(C(=O)N=c2[nH][n-]cc2Br)c1 ZINC000556890925 566341659 /nfs/dbraw/zinc/34/16/59/566341659.db2.gz AANMYXWERYGMND-UHFFFAOYSA-N -1 3 397.232 3.297 20 30 GGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc(Cl)sc1Cl ZINC000536130685 566353273 /nfs/dbraw/zinc/35/32/73/566353273.db2.gz RBHAONZAIQZLMB-UHFFFAOYSA-N -1 3 392.245 3.313 20 30 GGEDHM N#C[C@@]1([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)CCc2ccccc2C1 ZINC000446773536 566366660 /nfs/dbraw/zinc/36/66/60/566366660.db2.gz QIFYHYNSIJBXKV-GOSISDBHSA-N -1 3 378.856 3.350 20 30 GGEDHM N#CC1(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)CCC1 ZINC000576983480 566394237 /nfs/dbraw/zinc/39/42/37/566394237.db2.gz SGVZJJSBJKLUJO-UHFFFAOYSA-N -1 3 377.691 3.216 20 30 GGEDHM Cc1cc(C)c(C([O-])=C(C#N)c2ccncn2)cc1I ZINC000483806152 566402708 /nfs/dbraw/zinc/40/27/08/566402708.db2.gz KFBDNZQBTFEVEK-LBPRGKRZSA-N -1 3 377.185 3.188 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1ccccc1CC#N)c1nc(C(F)(F)F)cs1 ZINC000601406216 566405103 /nfs/dbraw/zinc/40/51/03/566405103.db2.gz ZCYMMUJZNRHVPE-VIFPVBQESA-N -1 3 375.397 3.267 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)s1 ZINC000510713132 566407052 /nfs/dbraw/zinc/40/70/52/566407052.db2.gz QLVHHYBEBZTKCF-LSDHHAIUSA-N -1 3 384.429 3.176 20 30 GGEDHM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c(Br)c1 ZINC000463531661 566417253 /nfs/dbraw/zinc/41/72/53/566417253.db2.gz JZMDSTFSKOXGIO-UHFFFAOYSA-N -1 3 397.250 3.139 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000557838308 566426364 /nfs/dbraw/zinc/42/63/64/566426364.db2.gz GIGRGGOFNJTTGV-UHFFFAOYSA-N -1 3 390.262 3.281 20 30 GGEDHM N#Cc1cccc(C2(C(=O)N=c3cc4ccc(Br)cn4[n-]3)CC2)c1 ZINC000511286823 566451064 /nfs/dbraw/zinc/45/10/64/566451064.db2.gz PVPKPFJOGPUTGX-UHFFFAOYSA-N -1 3 381.233 3.061 20 30 GGEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511303934 566452667 /nfs/dbraw/zinc/45/26/67/566452667.db2.gz HQMVHUAMEMXMNM-UHFFFAOYSA-N -1 3 399.248 3.186 20 30 GGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000464213592 566455953 /nfs/dbraw/zinc/45/59/53/566455953.db2.gz HXFOQLCBRSAYDK-OLZOCXBDSA-N -1 3 376.400 3.214 20 30 GGEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)c1 ZINC000511357995 566457021 /nfs/dbraw/zinc/45/70/21/566457021.db2.gz GVUWZOHZTBYTDA-UHFFFAOYSA-N -1 3 397.216 3.332 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)c(F)cc2Br)s1 ZINC000511364249 566458123 /nfs/dbraw/zinc/45/81/23/566458123.db2.gz BZXQMOUOFLTBBL-UHFFFAOYSA-N -1 3 393.234 3.139 20 30 GGEDHM COc1cccc(OC(F)(F)F)c1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000511395043 566460661 /nfs/dbraw/zinc/46/06/61/566460661.db2.gz GAVVMFMTJRZEJJ-UHFFFAOYSA-N -1 3 392.380 3.005 20 30 GGEDHM Cc1cc(S(=O)(=O)[N-]CCc2cccc(C#N)c2)sc1Br ZINC000558555030 566484551 /nfs/dbraw/zinc/48/45/51/566484551.db2.gz XPTPSHDRHCNRKL-UHFFFAOYSA-N -1 3 385.308 3.212 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(I)c(F)c2)nc(C)n1 ZINC000511744254 566487090 /nfs/dbraw/zinc/48/70/90/566487090.db2.gz WILNAOLXDFCYTB-NSHDSACASA-N -1 3 395.175 3.327 20 30 GGEDHM O=C(CNCC(F)(F)F)[N-][C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000511790080 566488220 /nfs/dbraw/zinc/48/82/20/566488220.db2.gz DCBBFZVIHADRBM-SNVBAGLBSA-N -1 3 380.235 3.160 20 30 GGEDHM C=C(C[N-]S(=O)(=O)c1cc(OC)ccc1Br)c1ccccc1 ZINC000672423637 566489088 /nfs/dbraw/zinc/48/90/88/566489088.db2.gz HRBARRWYORDCPE-UHFFFAOYSA-N -1 3 382.279 3.449 20 30 GGEDHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000538282942 566502983 /nfs/dbraw/zinc/50/29/83/566502983.db2.gz ILUXSGYENOEPGM-IAGOWNOFSA-N -1 3 376.865 3.445 20 30 GGEDHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000538282475 566503003 /nfs/dbraw/zinc/50/30/03/566503003.db2.gz GJRMGNYGAYEFFN-RHSMWYFYSA-N -1 3 376.865 3.445 20 30 GGEDHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000538283936 566503231 /nfs/dbraw/zinc/50/32/31/566503231.db2.gz QQBYLUKXIRJZHG-DIFFPNOSSA-N -1 3 382.844 3.405 20 30 GGEDHM N#Cc1ccc(N2CCN(Cc3cc([O-])ccc3Br)CC2)c(F)c1 ZINC000512203819 566519450 /nfs/dbraw/zinc/51/94/50/566519450.db2.gz QIXBJBFCUGCWHV-UHFFFAOYSA-N -1 3 390.256 3.488 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCCC3)c2)s1 ZINC000559578530 566559074 /nfs/dbraw/zinc/55/90/74/566559074.db2.gz FINJLGOMGCWSFH-UHFFFAOYSA-N -1 3 377.491 3.205 20 30 GGEDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000578876386 566562962 /nfs/dbraw/zinc/56/29/62/566562962.db2.gz SCAHYELIRHTKHN-QWHCGFSZSA-N -1 3 389.340 3.273 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000539222323 566569282 /nfs/dbraw/zinc/56/92/82/566569282.db2.gz OQSSKJCNNUOMTE-WBVHZDCISA-N -1 3 380.828 3.159 20 30 GGEDHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000486502740 566595208 /nfs/dbraw/zinc/59/52/08/566595208.db2.gz AKSKZTZORJJVAI-UHFFFAOYSA-N -1 3 385.228 3.452 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000466861472 566603506 /nfs/dbraw/zinc/60/35/06/566603506.db2.gz NTEJAALPKBNJLG-UHFFFAOYSA-N -1 3 393.387 3.386 20 30 GGEDHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC000466891880 566605725 /nfs/dbraw/zinc/60/57/25/566605725.db2.gz MUUWKQPOGZBBGF-DZGCQCFKSA-N -1 3 376.400 3.059 20 30 GGEDHM Cc1cc(C(C)(C)[N-]S(=O)(=O)c2cccnc2C#N)ccc1Br ZINC000579412073 566606302 /nfs/dbraw/zinc/60/63/02/566606302.db2.gz IDNQRXDVVKCYRW-UHFFFAOYSA-N -1 3 394.294 3.238 20 30 GGEDHM CCC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCOCC1 ZINC000466932312 566609224 /nfs/dbraw/zinc/60/92/24/566609224.db2.gz IMGGHGNSHGIVOH-UHFFFAOYSA-N -1 3 376.400 3.062 20 30 GGEDHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000425187646 566612914 /nfs/dbraw/zinc/61/29/14/566612914.db2.gz GETAVNANIXSFGA-DTWKUNHWSA-N -1 3 393.690 3.082 20 30 GGEDHM C[C@@H]1C[C@]1(C#N)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000450138560 566638528 /nfs/dbraw/zinc/63/85/28/566638528.db2.gz BORQXHMIQYWFPM-ANRSDYALSA-N -1 3 379.645 3.403 20 30 GGEDHM C[C@H]1C[C@]1(C#N)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000450138563 566638671 /nfs/dbraw/zinc/63/86/71/566638671.db2.gz BORQXHMIQYWFPM-VXJOIVPMSA-N -1 3 379.645 3.403 20 30 GGEDHM C=CC[C@@H](CC)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000467691781 566659354 /nfs/dbraw/zinc/65/93/54/566659354.db2.gz QAQJWDRZSZNXJV-GFCCVEGCSA-N -1 3 384.548 3.373 20 30 GGEDHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000467764642 566662748 /nfs/dbraw/zinc/66/27/48/566662748.db2.gz AQOYLPJXKWHKAT-UHFFFAOYSA-N -1 3 390.412 3.030 20 30 GGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(C#N)s2)ccc1F ZINC000487595719 566683118 /nfs/dbraw/zinc/68/31/18/566683118.db2.gz IGIHXFAEPXOJOI-UHFFFAOYSA-N -1 3 381.454 3.088 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000580632752 566710172 /nfs/dbraw/zinc/71/01/72/566710172.db2.gz NUVCTABWNMUNFQ-NSHDSACASA-N -1 3 380.857 3.064 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000561515012 566711851 /nfs/dbraw/zinc/71/18/51/566711851.db2.gz VSPJWBLMDFJPMG-CYBMUJFWSA-N -1 3 395.303 3.446 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000561538259 566716892 /nfs/dbraw/zinc/71/68/92/566716892.db2.gz KNPCCYYYRKMQQO-UHFFFAOYSA-N -1 3 398.307 3.133 20 30 GGEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000488427167 566724699 /nfs/dbraw/zinc/72/46/99/566724699.db2.gz XLJAVTIHMKSXED-CABCVRRESA-N -1 3 386.901 3.114 20 30 GGEDHM N#CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000541452680 566726481 /nfs/dbraw/zinc/72/64/81/566726481.db2.gz ANOLHIFGGHQSMB-UHFFFAOYSA-N -1 3 377.853 3.174 20 30 GGEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000488453937 566726754 /nfs/dbraw/zinc/72/67/54/566726754.db2.gz XLJAVTIHMKSXED-HUUCEWRRSA-N -1 3 386.901 3.114 20 30 GGEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000468778398 566728651 /nfs/dbraw/zinc/72/86/51/566728651.db2.gz CAIWWTQJJYOXDH-YVEFUNNKSA-N -1 3 388.917 3.360 20 30 GGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000580983566 566740041 /nfs/dbraw/zinc/74/00/41/566740041.db2.gz LDJSKWFGBGAYNK-UHFFFAOYSA-N -1 3 399.697 3.495 20 30 GGEDHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3cccc(Cl)c3C#N)C2)c1 ZINC000581053375 566746121 /nfs/dbraw/zinc/74/61/21/566746121.db2.gz GSBASFQKJUFDHP-HDJSIYSDSA-N -1 3 376.865 3.445 20 30 GGEDHM Cc1cccc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1Br ZINC000468982723 566749946 /nfs/dbraw/zinc/74/99/46/566749946.db2.gz PFLHRQBJPRIKNZ-UHFFFAOYSA-N -1 3 383.242 3.247 20 30 GGEDHM CCOC(=O)c1sc([N-]C(=O)c2cc3c(s2)CCOC3)c(C#N)c1C ZINC000609125447 566751152 /nfs/dbraw/zinc/75/11/52/566751152.db2.gz PPHREOPGAINVEK-UHFFFAOYSA-N -1 3 376.459 3.491 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000562313147 566780164 /nfs/dbraw/zinc/78/01/64/566780164.db2.gz CGVVGEYYJDQMQP-RDTXWAMCSA-N -1 3 376.865 3.268 20 30 GGEDHM C=CCCCCNC(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000581493762 566783837 /nfs/dbraw/zinc/78/38/37/566783837.db2.gz HXVFHTKFTCYWNF-UHFFFAOYSA-N -1 3 398.834 3.110 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)CCCCC1 ZINC000581589519 566791707 /nfs/dbraw/zinc/79/17/07/566791707.db2.gz BTOACAWPZWVSIS-INIZCTEOSA-N -1 3 382.551 3.345 20 30 GGEDHM C=CCCCS(=O)(=O)[N-][C@@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000489620215 566799255 /nfs/dbraw/zinc/79/92/55/566799255.db2.gz NBUNRONZMFVDGO-OAHLLOKOSA-N -1 3 380.293 3.267 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(Br)c2)c(F)c1 ZINC000610084963 566805166 /nfs/dbraw/zinc/80/51/66/566805166.db2.gz SRRWRUOBUIZGIQ-HIFRSBDPSA-N -1 3 395.253 3.294 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000489797194 566810053 /nfs/dbraw/zinc/81/00/53/566810053.db2.gz MDLYXNSCVSZYKN-ZETCQYMHSA-N -1 3 379.360 3.212 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000542692155 566818908 /nfs/dbraw/zinc/81/89/08/566818908.db2.gz ZPNSNGAQTOPGTO-CYBMUJFWSA-N -1 3 389.235 3.016 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)c(Cl)c1 ZINC000542690942 566819048 /nfs/dbraw/zinc/81/90/48/566819048.db2.gz JFVXGFXKVNMQMO-CYBMUJFWSA-N -1 3 389.235 3.016 20 30 GGEDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1 ZINC000451452151 566820966 /nfs/dbraw/zinc/82/09/66/566820966.db2.gz GUFLDHWCNZLZFQ-GHMZBOCLSA-N -1 3 381.889 3.077 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2csc(I)c2)nc(C)n1 ZINC000517426696 566825613 /nfs/dbraw/zinc/82/56/13/566825613.db2.gz HBJLFWFVXWGGJI-SNVBAGLBSA-N -1 3 383.214 3.250 20 30 GGEDHM N#Cc1cncc(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)c1 ZINC000517791611 566846930 /nfs/dbraw/zinc/84/69/30/566846930.db2.gz PWPRQHMDHPUBSF-UHFFFAOYSA-N -1 3 378.251 3.005 20 30 GGEDHM C=CCOCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000517878742 566852000 /nfs/dbraw/zinc/85/20/00/566852000.db2.gz AKGUYGGPNXJBBA-UHFFFAOYSA-N -1 3 380.853 3.282 20 30 GGEDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000451656252 566857479 /nfs/dbraw/zinc/85/74/79/566857479.db2.gz SQGGXXFRYGNHLY-SECBINFHSA-N -1 3 397.312 3.480 20 30 GGEDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)o1 ZINC000490571330 566866674 /nfs/dbraw/zinc/86/66/74/566866674.db2.gz PCPLHXOZCWXVJA-UHFFFAOYSA-N -1 3 398.282 3.048 20 30 GGEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1 ZINC000451820540 566887731 /nfs/dbraw/zinc/88/77/31/566887731.db2.gz DSDDYPMDZKSSCD-JTQLQIEISA-N -1 3 379.226 3.034 20 30 GGEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccccc2Br)c1 ZINC000611112238 566890848 /nfs/dbraw/zinc/89/08/48/566890848.db2.gz QYTDYAYAVCIVCG-HNNXBMFYSA-N -1 3 388.221 3.108 20 30 GGEDHM N#C[C@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C1CCCCC1 ZINC000543644701 566896803 /nfs/dbraw/zinc/89/68/03/566896803.db2.gz ODBYNNIDECQFMW-AWEZNQCLSA-N -1 3 399.310 3.135 20 30 GGEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000632635795 566900095 /nfs/dbraw/zinc/90/00/95/566900095.db2.gz MHBHLEGSPWVFFR-UHFFFAOYSA-N -1 3 394.806 3.005 20 30 GGEDHM N#Cc1cccc(CS(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)c1 ZINC000518734498 566901144 /nfs/dbraw/zinc/90/11/44/566901144.db2.gz YKTRWOHUHGEVGA-UHFFFAOYSA-N -1 3 377.878 3.441 20 30 GGEDHM C=CCn1c(=O)[n-]nc1S[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000470816767 566906330 /nfs/dbraw/zinc/90/63/30/566906330.db2.gz KUNKPGNJTBZAGI-VIFPVBQESA-N -1 3 383.271 3.052 20 30 GGEDHM C=CCn1c(=O)[n-]nc1S[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000470822995 566906819 /nfs/dbraw/zinc/90/68/19/566906819.db2.gz WCSWIHRHXPHEES-VIFPVBQESA-N -1 3 383.271 3.052 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000429421259 566930945 /nfs/dbraw/zinc/93/09/45/566930945.db2.gz XBFUVZTYWVHUEX-CZUORRHYSA-N -1 3 394.244 3.320 20 30 GGEDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000583313966 566939598 /nfs/dbraw/zinc/93/95/98/566939598.db2.gz RYYBQVALKJAWTE-UHFFFAOYSA-N -1 3 378.416 3.308 20 30 GGEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429641083 566944823 /nfs/dbraw/zinc/94/48/23/566944823.db2.gz RNWVRQGOCUXRSP-UHFFFAOYSA-N -1 3 376.816 3.378 20 30 GGEDHM N#Cc1cc(F)ccc1NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000564093324 566945614 /nfs/dbraw/zinc/94/56/14/566945614.db2.gz PVEYGBGUOUMNSO-UHFFFAOYSA-N -1 3 388.251 3.395 20 30 GGEDHM COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C2 ZINC000612144170 566956775 /nfs/dbraw/zinc/95/67/75/566956775.db2.gz ZMJXLEVCJVPCOG-CQSZACIVSA-N -1 3 376.865 3.056 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nc(C(F)(F)F)cs1 ZINC000583669243 566971728 /nfs/dbraw/zinc/97/17/28/566971728.db2.gz FYGVQDWSIFDZRP-ZETCQYMHSA-N -1 3 379.360 3.212 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1Br ZINC000430033840 566977852 /nfs/dbraw/zinc/97/78/52/566977852.db2.gz LGBGMRKQGTVHRO-DZGCQCFKSA-N -1 3 395.253 3.294 20 30 GGEDHM C=CCC1([N-]S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)CCCCC1 ZINC000657004623 566996081 /nfs/dbraw/zinc/99/60/81/566996081.db2.gz ZNYWDEVUHJZBDZ-UHFFFAOYSA-N -1 3 382.551 3.210 20 30 GGEDHM C=CCC1([N-]S(=O)(=O)c2sc(Br)cc2C)CCOCC1 ZINC000657129465 567020946 /nfs/dbraw/zinc/02/09/46/567020946.db2.gz OKEKCYBNMIRNIT-UHFFFAOYSA-N -1 3 380.329 3.223 20 30 GGEDHM C=CCC1([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CCOCC1 ZINC000657127874 567020966 /nfs/dbraw/zinc/02/09/66/567020966.db2.gz OETLQVZPFMMXTJ-UHFFFAOYSA-N -1 3 380.293 3.406 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2cnc3ncc(Br)cc3c2)nc(C)n1 ZINC000682010928 567022846 /nfs/dbraw/zinc/02/28/46/567022846.db2.gz GHYZYUXORGRXHL-AWEZNQCLSA-N -1 3 382.221 3.289 20 30 GGEDHM C=C(C)COCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430603495 567025356 /nfs/dbraw/zinc/02/53/56/567025356.db2.gz NUFNHPWIWSXYQE-UHFFFAOYSA-N -1 3 399.672 3.267 20 30 GGEDHM C=C(C)COCCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430603495 567025360 /nfs/dbraw/zinc/02/53/60/567025360.db2.gz NUFNHPWIWSXYQE-UHFFFAOYSA-N -1 3 399.672 3.267 20 30 GGEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(CS(C)(=O)=O)cc2)s1 ZINC000430597025 567025566 /nfs/dbraw/zinc/02/55/66/567025566.db2.gz KVNYYWVZVNMFHD-CQSZACIVSA-N -1 3 376.503 3.475 20 30 GGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C(N)=O)c(Cl)cc1Cl ZINC000584364324 567036770 /nfs/dbraw/zinc/03/67/70/567036770.db2.gz YUXSYOSBDDNFIZ-UHFFFAOYSA-N -1 3 384.244 3.073 20 30 GGEDHM C=CCn1c(=O)[n-]nc1SCc1c(Br)cccc1C(=O)OC ZINC000430982742 567043720 /nfs/dbraw/zinc/04/37/20/567043720.db2.gz UZLRXJPXTVKXQO-UHFFFAOYSA-N -1 3 384.255 3.011 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(I)c2C)nc(C)n1 ZINC000473171797 567067377 /nfs/dbraw/zinc/06/73/77/567067377.db2.gz RFTVIAWBFLNBFU-ZDUSSCGKSA-N -1 3 391.212 3.497 20 30 GGEDHM COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C2 ZINC000613946169 567072072 /nfs/dbraw/zinc/07/20/72/567072072.db2.gz BDCXUWBWZMLMHK-OAHLLOKOSA-N -1 3 376.865 3.056 20 30 GGEDHM COc1cc(OC)c([N-]S(=O)(=O)CCC(C)(C)C#N)cc1Br ZINC000565721263 567092502 /nfs/dbraw/zinc/09/25/02/567092502.db2.gz YBYHDQGKXAJIDD-UHFFFAOYSA-N -1 3 391.287 3.148 20 30 GGEDHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000565766448 567096191 /nfs/dbraw/zinc/09/61/91/567096191.db2.gz JNGUPKQQMZAQLB-GHMZBOCLSA-N -1 3 389.340 3.273 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000522057951 567096675 /nfs/dbraw/zinc/09/66/75/567096675.db2.gz LWHLPQXMDZHANN-MLGOLLRUSA-N -1 3 384.548 3.440 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000546072859 567101962 /nfs/dbraw/zinc/10/19/62/567101962.db2.gz FCQXHAQZYKAIEE-CVEARBPZSA-N -1 3 386.876 3.312 20 30 GGEDHM C=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000588138693 567117247 /nfs/dbraw/zinc/11/72/47/567117247.db2.gz VQSVXLWPKHISHH-UHFFFAOYSA-N -1 3 397.250 3.349 20 30 GGEDHM COC[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1cccc(Cl)c1 ZINC000588909728 567144543 /nfs/dbraw/zinc/14/45/43/567144543.db2.gz BWVOEMYMYIJHHE-KRWDZBQOSA-N -1 3 382.844 3.158 20 30 GGEDHM C=CCC(C)(C)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000432283186 567145799 /nfs/dbraw/zinc/14/57/99/567145799.db2.gz DBSBNLBAFXOTSG-UHFFFAOYSA-N -1 3 388.555 3.109 20 30 GGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(Br)ccc1-n1cccn1 ZINC000566307540 567147567 /nfs/dbraw/zinc/14/75/67/567147567.db2.gz CTCABQOWRMAPEJ-UHFFFAOYSA-N -1 3 397.298 3.316 20 30 GGEDHM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1Cl ZINC000566310223 567149181 /nfs/dbraw/zinc/14/91/81/567149181.db2.gz FYGYVXBSQBXGQX-UHFFFAOYSA-N -1 3 385.917 3.407 20 30 GGEDHM C=CCCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)CC1 ZINC000474292057 567156063 /nfs/dbraw/zinc/15/60/63/567156063.db2.gz MYTFVTISBKUSSH-UHFFFAOYSA-N -1 3 376.400 3.212 20 30 GGEDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccsc1 ZINC000523573818 567161942 /nfs/dbraw/zinc/16/19/42/567161942.db2.gz FJFYDZHXSYRKQQ-MRXNPFEDSA-N -1 3 381.498 3.120 20 30 GGEDHM C[C@@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000523565776 567162714 /nfs/dbraw/zinc/16/27/14/567162714.db2.gz DKUKOHZBRIRYAG-NSHDSACASA-N -1 3 397.269 3.369 20 30 GGEDHM Cc1cc(I)cc(C([O-])=C(C#N)c2ccncn2)c1C ZINC000546858940 567164267 /nfs/dbraw/zinc/16/42/67/567164267.db2.gz UMGVQHNSYRBWPE-CYBMUJFWSA-N -1 3 377.185 3.188 20 30 GGEDHM N#CC(=C([O-])c1ccc(I)c(Cl)c1)c1ccncn1 ZINC000546859827 567166732 /nfs/dbraw/zinc/16/67/32/567166732.db2.gz QWDRQQXZYANOGY-VIFPVBQESA-N -1 3 383.576 3.225 20 30 GGEDHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000474392002 567167001 /nfs/dbraw/zinc/16/70/01/567167001.db2.gz OESCBKXGXFQVMS-UHFFFAOYSA-N -1 3 376.821 3.445 20 30 GGEDHM N#Cc1cncc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2Cl)c1 ZINC000589555280 567182856 /nfs/dbraw/zinc/18/28/56/567182856.db2.gz QAWRCOVXJKMNNN-UHFFFAOYSA-N -1 3 390.621 3.309 20 30 GGEDHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000524150215 567185591 /nfs/dbraw/zinc/18/55/91/567185591.db2.gz WFXDFWZMWUXGRC-GTNSWQLSSA-N -1 3 382.844 3.405 20 30 GGEDHM C=CCCCCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000474687756 567191273 /nfs/dbraw/zinc/19/12/73/567191273.db2.gz OTJMGDVGDMZHBX-UHFFFAOYSA-N -1 3 384.548 3.374 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000475531283 567254575 /nfs/dbraw/zinc/25/45/75/567254575.db2.gz MOWCBRRBKSYBFH-UHFFFAOYSA-N -1 3 399.255 3.115 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCCOc2ccc(F)cc2)c1 ZINC000475559794 567257233 /nfs/dbraw/zinc/25/72/33/567257233.db2.gz QRUKKEOHKGWCQM-UHFFFAOYSA-N -1 3 382.844 3.488 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-]Cc2sccc2Br)CCCCC1 ZINC000475579785 567259632 /nfs/dbraw/zinc/25/96/32/567259632.db2.gz AQHFTWFOQZBNPT-UHFFFAOYSA-N -1 3 377.329 3.404 20 30 GGEDHM C=CCCC(C)(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000660142696 567270233 /nfs/dbraw/zinc/27/02/33/567270233.db2.gz BWVNKHIMGARXDT-UHFFFAOYSA-N -1 3 392.518 3.001 20 30 GGEDHM N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(Cl)s3)C2)c(F)c1 ZINC000568123906 567306336 /nfs/dbraw/zinc/30/63/36/567306336.db2.gz YYCLZDMBLURKPK-LBPRGKRZSA-N -1 3 399.900 3.360 20 30 GGEDHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000476412236 567322119 /nfs/dbraw/zinc/32/21/19/567322119.db2.gz FUDGHBWYZHPMCA-UHFFFAOYSA-N -1 3 378.881 3.476 20 30 GGEDHM Cc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1Br ZINC000527290987 567327523 /nfs/dbraw/zinc/32/75/23/567327523.db2.gz WGMZVLWTURJJOL-UHFFFAOYSA-N -1 3 383.242 3.247 20 30 GGEDHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476501386 567329773 /nfs/dbraw/zinc/32/97/73/567329773.db2.gz YIDGUSBCFLPKAK-GTNSWQLSSA-N -1 3 382.844 3.405 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000476539158 567333190 /nfs/dbraw/zinc/33/31/90/567333190.db2.gz TYWGMCKTXKLLCG-AWEZNQCLSA-N -1 3 396.299 3.422 20 30 GGEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592384367 567335538 /nfs/dbraw/zinc/33/55/38/567335538.db2.gz WJZOIGWUNVDMHY-NSHDSACASA-N -1 3 388.820 3.162 20 30 GGEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000592383540 567335555 /nfs/dbraw/zinc/33/55/55/567335555.db2.gz CTNOJPOCQUZCGB-CYBMUJFWSA-N -1 3 377.691 3.214 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc3cc(Br)ccc3[nH]2)s1 ZINC000435421391 567360630 /nfs/dbraw/zinc/36/06/30/567360630.db2.gz HLFMXKDSDUDLQZ-UHFFFAOYSA-N -1 3 396.291 3.342 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2nc3cc(Cl)ccc3s2)s1 ZINC000435430328 567362275 /nfs/dbraw/zinc/36/22/75/567362275.db2.gz AHXGUEIHQWDSTQ-UHFFFAOYSA-N -1 3 383.907 3.404 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Br)s1 ZINC000435427767 567362436 /nfs/dbraw/zinc/36/24/36/567362436.db2.gz NDEGXGNSCJBDQF-CYBMUJFWSA-N -1 3 383.292 3.348 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc(OCC(F)(F)F)c2)s1 ZINC000435428136 567362508 /nfs/dbraw/zinc/36/25/08/567362508.db2.gz QQBOOUCGPVGDMS-UHFFFAOYSA-N -1 3 390.408 3.082 20 30 GGEDHM Cc1ccc([C@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435436029 567365535 /nfs/dbraw/zinc/36/55/35/567365535.db2.gz DHEJJISMNQZBPI-CRAIPNDOSA-N -1 3 376.503 3.374 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000435436113 567366277 /nfs/dbraw/zinc/36/62/77/567366277.db2.gz DDFHMRLORKVYOE-INIZCTEOSA-N -1 3 395.937 3.389 20 30 GGEDHM Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435436030 567366423 /nfs/dbraw/zinc/36/64/23/567366423.db2.gz DHEJJISMNQZBPI-MAUKXSAKSA-N -1 3 376.503 3.374 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2OC(F)(F)F)s1 ZINC000435438950 567368191 /nfs/dbraw/zinc/36/81/91/567368191.db2.gz QVWROYACGDOQKG-UHFFFAOYSA-N -1 3 376.381 3.039 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000435579420 567375518 /nfs/dbraw/zinc/37/55/18/567375518.db2.gz KTNYQUSDNZHLAW-YGRLFVJLSA-N -1 3 394.718 3.362 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c1 ZINC000435588812 567376654 /nfs/dbraw/zinc/37/66/54/567376654.db2.gz MWJVPBPIGIFRNE-IINYFYTJSA-N -1 3 386.782 3.463 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000435587917 567376827 /nfs/dbraw/zinc/37/68/27/567376827.db2.gz JNEZCNBDKPLBFQ-ZUZCIYMTSA-N -1 3 380.293 3.262 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000435598691 567378261 /nfs/dbraw/zinc/37/82/61/567378261.db2.gz PMHFAIIQQUUPNW-QMTHXVAHSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000435596796 567378363 /nfs/dbraw/zinc/37/83/63/567378363.db2.gz ZKHFOTSOODWCPE-IINYFYTJSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000435598689 567378588 /nfs/dbraw/zinc/37/85/88/567378588.db2.gz PMHFAIIQQUUPNW-HZMBPMFUSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000435598692 567378660 /nfs/dbraw/zinc/37/86/60/567378660.db2.gz PMHFAIIQQUUPNW-YGRLFVJLSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000435604950 567380177 /nfs/dbraw/zinc/38/01/77/567380177.db2.gz GETNLUVIHMIYDJ-QMTHXVAHSA-N -1 3 394.718 3.362 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1cc(C(F)(F)F)ccn1 ZINC000549524941 567396833 /nfs/dbraw/zinc/39/68/33/567396833.db2.gz RIIXHLUYWXNJOB-UHFFFAOYSA-N -1 3 389.786 3.146 20 30 GGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000618604341 567402459 /nfs/dbraw/zinc/40/24/59/567402459.db2.gz JUBLCFDLKHYNAO-WFASDCNBSA-N -1 3 376.400 3.477 20 30 GGEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1c(C)noc1C ZINC000569444357 567405680 /nfs/dbraw/zinc/40/56/80/567405680.db2.gz YAHGBERCCJMXEJ-ZDUSSCGKSA-N -1 3 398.282 3.355 20 30 GGEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000618716363 567409269 /nfs/dbraw/zinc/40/92/69/567409269.db2.gz KOTLSTLQWVVDLH-OAHLLOKOSA-N -1 3 395.253 3.426 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2cc(I)ccc2C)nc(C)n1 ZINC000477851477 567423328 /nfs/dbraw/zinc/42/33/28/567423328.db2.gz KOSLLIJXIHFHLV-AWEZNQCLSA-N -1 3 391.212 3.497 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000550431457 567446518 /nfs/dbraw/zinc/44/65/18/567446518.db2.gz IKEJMIZTKZHWIY-CYBMUJFWSA-N -1 3 381.251 3.270 20 30 GGEDHM Cc1cc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)ccc1F ZINC000550432787 567447377 /nfs/dbraw/zinc/44/73/77/567447377.db2.gz ZASGISNSDDABJW-UHFFFAOYSA-N -1 3 383.242 3.247 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1nc(C(F)(F)F)cs1 ZINC000619500252 567460394 /nfs/dbraw/zinc/46/03/94/567460394.db2.gz BWPZAGBUDKNBNK-SECBINFHSA-N -1 3 375.397 3.267 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2Cl)N2CCCC2)s1 ZINC000619547088 567463372 /nfs/dbraw/zinc/46/33/72/567463372.db2.gz OTKCLOPBNKDNQZ-MRXNPFEDSA-N -1 3 395.937 3.389 20 30 GGEDHM CCCCCn1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(C)n1 ZINC000503211864 567473997 /nfs/dbraw/zinc/47/39/97/567473997.db2.gz LMWBCZNOBJDIJS-UHFFFAOYSA-N -1 3 380.901 3.385 20 30 GGEDHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1F ZINC000478697118 567476070 /nfs/dbraw/zinc/47/60/70/567476070.db2.gz GTTCPRSUAPPFFG-UHFFFAOYSA-N -1 3 386.763 3.077 20 30 GGEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000570344146 567477623 /nfs/dbraw/zinc/47/76/23/567477623.db2.gz SJAYQEVBCCHVSW-AWEZNQCLSA-N -1 3 393.278 3.203 20 30 GGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl ZINC000551171099 567484338 /nfs/dbraw/zinc/48/43/38/567484338.db2.gz BRXDXSVOSLVTKB-HSZRJFAPSA-N -1 3 382.894 3.199 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)c1 ZINC000551201217 567486858 /nfs/dbraw/zinc/48/68/58/567486858.db2.gz HZPIMQQQTKZCEB-UHFFFAOYSA-N -1 3 378.866 3.142 20 30 GGEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1Cl ZINC000503494035 567488471 /nfs/dbraw/zinc/48/84/71/567488471.db2.gz YAWBTYZQWQLCJB-INIZCTEOSA-N -1 3 398.315 3.446 20 30 GGEDHM N#Cc1cccc(C2([N-]S(=O)(=O)c3cc(Br)ccc3F)CC2)c1 ZINC000551225542 567489188 /nfs/dbraw/zinc/48/91/88/567489188.db2.gz NSBPHLFUAPBFBW-UHFFFAOYSA-N -1 3 395.253 3.427 20 30 GGEDHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000503706606 567501511 /nfs/dbraw/zinc/50/15/11/567501511.db2.gz XJOHVPVACZBBAN-CYBMUJFWSA-N -1 3 378.881 3.377 20 30 GGEDHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000503706607 567502138 /nfs/dbraw/zinc/50/21/38/567502138.db2.gz XJOHVPVACZBBAN-ZDUSSCGKSA-N -1 3 378.881 3.377 20 30 GGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000594722361 567503274 /nfs/dbraw/zinc/50/32/74/567503274.db2.gz IHUICOGOYMOVIP-NHYWBVRUSA-N -1 3 389.290 3.480 20 30 GGEDHM N#CC1([N-]S(=O)(=O)Cc2cc(F)ccc2Br)CCCCC1 ZINC000594720276 567503394 /nfs/dbraw/zinc/50/33/94/567503394.db2.gz IVLKYQOXXRVRGV-UHFFFAOYSA-N -1 3 375.263 3.234 20 30 GGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000594722356 567503567 /nfs/dbraw/zinc/50/35/67/567503567.db2.gz IHUICOGOYMOVIP-ABAIWWIYSA-N -1 3 389.290 3.480 20 30 GGEDHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000503767820 567505097 /nfs/dbraw/zinc/50/50/97/567505097.db2.gz AEELRYGWFCVNBD-NVXWUHKLSA-N -1 3 376.865 3.445 20 30 GGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000479128057 567506226 /nfs/dbraw/zinc/50/62/26/567506226.db2.gz JAQBFACLMGEVMW-HZMBPMFUSA-N -1 3 375.263 3.339 20 30 GGEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000479145379 567508745 /nfs/dbraw/zinc/50/87/45/567508745.db2.gz SFCFSOFEGCJTKE-QGZVFWFLSA-N -1 3 388.917 3.362 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000594761021 567509124 /nfs/dbraw/zinc/50/91/24/567509124.db2.gz WIJGYPQMRAINGM-DAXOMENPSA-N -1 3 376.503 3.173 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC)CC#N ZINC000594768696 567510272 /nfs/dbraw/zinc/51/02/72/567510272.db2.gz NVSIMJXSWKMUIA-LBPRGKRZSA-N -1 3 375.288 3.208 20 30 GGEDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)s1 ZINC000594768673 567510531 /nfs/dbraw/zinc/51/05/31/567510531.db2.gz MWHHGIMSLQMDKN-SECBINFHSA-N -1 3 378.504 3.281 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C2CC2)C1 ZINC000594769142 567510641 /nfs/dbraw/zinc/51/06/41/567510641.db2.gz SICTZLWIHZLMOK-ZBFHGGJFSA-N -1 3 376.503 3.317 20 30 GGEDHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503884539 567511078 /nfs/dbraw/zinc/51/10/78/567511078.db2.gz LVPHUCQCCVXOPJ-APPDUMDISA-N -1 3 382.844 3.405 20 30 GGEDHM C=CCCSCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000594817341 567516001 /nfs/dbraw/zinc/51/60/01/567516001.db2.gz OTZQHXKQXPGLMW-UHFFFAOYSA-N -1 3 398.319 3.184 20 30 GGEDHM COCc1csc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000594851166 567521385 /nfs/dbraw/zinc/52/13/85/567521385.db2.gz YXEFPAOIIIILSC-UHFFFAOYSA-N -1 3 390.408 3.263 20 30 GGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000571489464 567566635 /nfs/dbraw/zinc/56/66/35/567566635.db2.gz DQZYWVQDOVMUSD-LBPRGKRZSA-N -1 3 397.747 3.416 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(Br)c2)s1 ZINC000571481358 567566649 /nfs/dbraw/zinc/56/66/49/567566649.db2.gz PPRCLODCSDYSSK-CHWSQXEVSA-N -1 3 383.292 3.217 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(Br)c2)s1 ZINC000571481362 567566756 /nfs/dbraw/zinc/56/67/56/567566756.db2.gz PPRCLODCSDYSSK-OLZOCXBDSA-N -1 3 383.292 3.217 20 30 GGEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)sc1C ZINC000439227514 567573819 /nfs/dbraw/zinc/57/38/19/567573819.db2.gz TYIUKZVXVMFPDE-UHFFFAOYSA-N -1 3 375.397 3.129 20 30 GGEDHM N#C[C@H]1CN(Cc2cc([O-])ccc2Br)CCN1Cc1ccccc1 ZINC000505438848 567575539 /nfs/dbraw/zinc/57/55/39/567575539.db2.gz SFDXYLSJLRPMTP-KRWDZBQOSA-N -1 3 386.293 3.365 20 30 GGEDHM N#C[C@@H]1CN(Cc2cc([O-])ccc2Br)CCN1Cc1ccccc1 ZINC000505438849 567575732 /nfs/dbraw/zinc/57/57/32/567575732.db2.gz SFDXYLSJLRPMTP-QGZVFWFLSA-N -1 3 386.293 3.365 20 30 GGEDHM C=CCCCS(=O)(=O)[N-]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000644871338 567586423 /nfs/dbraw/zinc/58/64/23/567586423.db2.gz DWQJXBIKWIAHKT-UHFFFAOYSA-N -1 3 390.196 3.391 20 30 GGEDHM C=CC[C@@H](CC)NC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000439505216 567590871 /nfs/dbraw/zinc/59/08/71/567590871.db2.gz XQRIDGBYSPRCME-LLVKDONJSA-N -1 3 379.404 3.003 20 30 GGEDHM C[C@H]([N-]C(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)C(F)(F)F ZINC000645029458 567601116 /nfs/dbraw/zinc/60/11/16/567601116.db2.gz WSLBCEOSFYCQSP-LURJTMIESA-N -1 3 378.219 3.346 20 30 GGEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cscc3Br)n2)cc1 ZINC000572191362 567620263 /nfs/dbraw/zinc/62/02/63/567620263.db2.gz PZFSVKXYGGLKPQ-UHFFFAOYSA-N -1 3 388.250 3.274 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H](c1ccccc1)N(C)C ZINC000480904648 567641137 /nfs/dbraw/zinc/64/11/37/567641137.db2.gz YCMLIAZHKHLBNA-SCLBCKFNSA-N -1 3 377.897 3.181 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000553514852 567660735 /nfs/dbraw/zinc/66/07/35/567660735.db2.gz CMMINNIZDNDDRI-UHFFFAOYSA-N -1 3 391.290 3.374 20 30 GGEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000645745820 567662447 /nfs/dbraw/zinc/66/24/47/567662447.db2.gz CUEPAPDDXGXDRN-KGLIPLIRSA-N -1 3 394.718 3.256 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CCCC(F)(F)C1 ZINC000553559914 567665409 /nfs/dbraw/zinc/66/54/09/567665409.db2.gz SAIUDCXJTBSHMK-JTQLQIEISA-N -1 3 393.253 3.425 20 30 GGEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000553569761 567666914 /nfs/dbraw/zinc/66/69/14/567666914.db2.gz CXBQDUZFOAIMTA-UHFFFAOYSA-N -1 3 380.491 3.296 20 30 GGEDHM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553799174 567685920 /nfs/dbraw/zinc/68/59/20/567685920.db2.gz JEJSKJNDOBPXJR-SNVBAGLBSA-N -1 3 385.308 3.292 20 30 GGEDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)CO2 ZINC000531911065 567686262 /nfs/dbraw/zinc/68/62/62/567686262.db2.gz PQVQZUNXGMXDPE-HNNXBMFYSA-N -1 3 393.262 3.041 20 30 GGEDHM N#Cc1sccc1N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000597183606 567687147 /nfs/dbraw/zinc/68/71/47/567687147.db2.gz NDTFELJITHWTDR-UHFFFAOYSA-N -1 3 378.295 3.410 20 30 GGEDHM CSCCCCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553852298 567691688 /nfs/dbraw/zinc/69/16/88/567691688.db2.gz DBEQLNQPRFCAKJ-UHFFFAOYSA-N -1 3 377.329 3.132 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000553894864 567697784 /nfs/dbraw/zinc/69/77/84/567697784.db2.gz GXUFQCPIIDCDGQ-VIFPVBQESA-N -1 3 379.226 3.034 20 30 GGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl ZINC000573464889 567715726 /nfs/dbraw/zinc/71/57/26/567715726.db2.gz ZTIWLTYPCBSKQK-QHCPKHFHSA-N -1 3 382.894 3.199 20 30 GGEDHM N#Cc1ccc([N-]S(=O)(=O)CCc2ccccc2Br)cc1F ZINC000461114882 567721002 /nfs/dbraw/zinc/72/10/02/567721002.db2.gz TYAHSTMPHWSMOW-UHFFFAOYSA-N -1 3 383.242 3.444 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1(c2ccc(Br)cc2)CC1 ZINC000443010246 567722611 /nfs/dbraw/zinc/72/26/11/567722611.db2.gz NBWZECHGFFIWBB-UHFFFAOYSA-N -1 3 395.253 3.427 20 30 GGEDHM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443014592 567724670 /nfs/dbraw/zinc/72/46/70/567724670.db2.gz PIKWTHYENYYBED-SNVBAGLBSA-N -1 3 386.807 3.236 20 30 GGEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000508067295 567725243 /nfs/dbraw/zinc/72/52/43/567725243.db2.gz ISHYLCJGSHKLRZ-KRWDZBQOSA-N -1 3 386.901 3.116 20 30 GGEDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000443038381 567725681 /nfs/dbraw/zinc/72/56/81/567725681.db2.gz QBMYDGGRNRHPIY-OAHLLOKOSA-N -1 3 381.885 3.166 20 30 GGEDHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(Cl)c1 ZINC000443040593 567725980 /nfs/dbraw/zinc/72/59/80/567725980.db2.gz WAFIQGJAGGLLMU-UHFFFAOYSA-N -1 3 398.271 3.091 20 30 GGEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000508074302 567726193 /nfs/dbraw/zinc/72/61/93/567726193.db2.gz OSXBZPRIMKOBTQ-INIZCTEOSA-N -1 3 388.942 3.442 20 30 GGEDHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)N(C)C)cc1 ZINC000443033275 567726225 /nfs/dbraw/zinc/72/62/25/567726225.db2.gz FENRZWYIUVQPLH-QGZVFWFLSA-N -1 3 377.897 3.101 20 30 GGEDHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c(Cl)c1 ZINC000443040595 567726372 /nfs/dbraw/zinc/72/63/72/567726372.db2.gz WAGGWJLMZMTETQ-UHFFFAOYSA-N -1 3 398.271 3.091 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCc1nc2c(s1)CCCC2 ZINC000443063151 567727813 /nfs/dbraw/zinc/72/78/13/567727813.db2.gz CQVVDOWVAHEUFU-UHFFFAOYSA-N -1 3 395.937 3.458 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(OCC(F)F)c1 ZINC000443072557 567729123 /nfs/dbraw/zinc/72/91/23/567729123.db2.gz UYXRIOLJLBQLFQ-UHFFFAOYSA-N -1 3 386.807 3.334 20 30 GGEDHM COc1ccc(S(=O)(=O)[N-][C@@](C)(C#N)CCSC)c(Cl)c1Cl ZINC000508100488 567729489 /nfs/dbraw/zinc/72/94/89/567729489.db2.gz XLFDCFNKZVMILI-CYBMUJFWSA-N -1 3 383.322 3.316 20 30 GGEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)N(C)Cc1ccccc1 ZINC000443084712 567730119 /nfs/dbraw/zinc/73/01/19/567730119.db2.gz ZLIJPVXKZCXJPW-AWEZNQCLSA-N -1 3 377.897 3.010 20 30 GGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000508127495 567731494 /nfs/dbraw/zinc/73/14/94/567731494.db2.gz ZBZAAEQVRONLLW-GFCCVEGCSA-N -1 3 397.747 3.416 20 30 GGEDHM COc1ccc(Br)c(CS(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c1 ZINC000554538865 567734839 /nfs/dbraw/zinc/73/48/39/567734839.db2.gz XARFQCVWFCPNIO-OAHLLOKOSA-N -1 3 389.315 3.205 20 30 GGEDHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)OCCc2sccc21 ZINC000573766596 567735443 /nfs/dbraw/zinc/73/54/43/567735443.db2.gz DQTDQDMKRPZJMY-INIZCTEOSA-N -1 3 382.894 3.040 20 30 GGEDHM CCc1ncc(S(=O)(=O)[N-][C@H](C#N)c2cccc(C(F)(F)F)c2)s1 ZINC000461420457 567735905 /nfs/dbraw/zinc/73/59/05/567735905.db2.gz AUNWJJMTBJGFRG-LLVKDONJSA-N -1 3 375.397 3.267 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000443235174 567742055 /nfs/dbraw/zinc/74/20/55/567742055.db2.gz ITKUABGGGCMAML-UHFFFAOYSA-N -1 3 381.788 3.165 20 30 GGEDHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443335248 567749803 /nfs/dbraw/zinc/74/98/03/567749803.db2.gz SGIMPGPNEDNDIB-UHFFFAOYSA-N -1 3 386.901 3.390 20 30 GGEDHM Cc1nc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(Cl)cc1C#N ZINC000461974948 567757570 /nfs/dbraw/zinc/75/75/70/567757570.db2.gz RAXCWOFHECKUCF-UHFFFAOYSA-N -1 3 391.305 3.020 20 30 GGEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000574209334 567764478 /nfs/dbraw/zinc/76/44/78/567764478.db2.gz HYQRHUKYBIBARS-ZDUSSCGKSA-N -1 3 377.691 3.214 20 30 GGEDHM N#Cc1ccc(CS(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000574431852 567777947 /nfs/dbraw/zinc/77/79/47/567777947.db2.gz SQPHMYKSABAISZ-OAHLLOKOSA-N -1 3 385.272 3.018 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(Br)ccc1F ZINC000555404644 567782554 /nfs/dbraw/zinc/78/25/54/567782554.db2.gz AYNUKDQSLBPKEF-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444064406 567787571 /nfs/dbraw/zinc/78/75/71/567787571.db2.gz IIMNLTAHFLIJGO-ZETCQYMHSA-N -1 3 383.285 3.090 20 30 GGEDHM C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)o1)C(C)C ZINC000444109189 567792995 /nfs/dbraw/zinc/79/29/95/567792995.db2.gz ZLBWNLWXVBHQLE-ZDUSSCGKSA-N -1 3 391.331 3.019 20 30 GGEDHM C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)o1)C(C)C ZINC000444109187 567793215 /nfs/dbraw/zinc/79/32/15/567793215.db2.gz ZLBWNLWXVBHQLE-CYBMUJFWSA-N -1 3 391.331 3.019 20 30 GGEDHM Cc1nc2cc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)ccc2[nH]1 ZINC000533945657 567795052 /nfs/dbraw/zinc/79/50/52/567795052.db2.gz UOKSTRUDRQBVJH-UHFFFAOYSA-N -1 3 391.250 3.306 20 30 GGEDHM Cc1nc2ccc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)cc2[nH]1 ZINC000533945657 567795056 /nfs/dbraw/zinc/79/50/56/567795056.db2.gz UOKSTRUDRQBVJH-UHFFFAOYSA-N -1 3 391.250 3.306 20 30 GGEDHM C=CCCCC[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000444186570 567796444 /nfs/dbraw/zinc/79/64/44/567796444.db2.gz JDZGRTWXFBETGA-UHFFFAOYSA-N -1 3 378.288 3.101 20 30 GGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cnn(-c2ccccc2Br)c1 ZINC000574814647 567798746 /nfs/dbraw/zinc/79/87/46/567798746.db2.gz KHQNNLYCSBZXBK-UHFFFAOYSA-N -1 3 397.298 3.316 20 30 GGEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3csc(S(C)(=O)=O)c3)sc2C1 ZINC000534297591 567806805 /nfs/dbraw/zinc/80/68/05/567806805.db2.gz TYHCFKSRUYLWDP-VIFPVBQESA-N -1 3 380.516 3.462 20 30 GGEDHM CSc1nccn1-c1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000058010450 570706866 /nfs/dbraw/zinc/70/68/66/570706866.db2.gz IMXBQRITOFMKNC-UHFFFAOYSA-N -1 3 377.433 3.411 20 30 GGEDHM CSc1nccn1-c1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000058010450 570706869 /nfs/dbraw/zinc/70/68/69/570706869.db2.gz IMXBQRITOFMKNC-UHFFFAOYSA-N -1 3 377.433 3.411 20 30 GGEDHM CSc1nccn1-c1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000058010450 570706872 /nfs/dbraw/zinc/70/68/72/570706872.db2.gz IMXBQRITOFMKNC-UHFFFAOYSA-N -1 3 377.433 3.411 20 30 GGEDHM Cc1c(C(=O)C=Cc2cc(Cl)ccc2[N+](=O)[O-])c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203538 598824947 /nfs/dbraw/zinc/82/49/47/598824947.db2.gz VHFWMCJBXTUBII-DAXSKMNVSA-N -1 3 398.810 3.381 20 30 GGEDHM Cc1c(C(=O)C=Cc2cc(Cl)ccc2[N+](=O)[O-])c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203538 598824948 /nfs/dbraw/zinc/82/49/48/598824948.db2.gz VHFWMCJBXTUBII-DAXSKMNVSA-N -1 3 398.810 3.381 20 30 GGEDHM Oc1ccc(C=NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c(O)c1O ZINC000738398567 598825234 /nfs/dbraw/zinc/82/52/34/598825234.db2.gz XESWWJNDDCXTEV-JMIUGGIZSA-N -1 3 393.428 3.331 20 30 GGEDHM CC[C@@H](C#N)Oc1cc(CNc2ccc(-c3nn[n-]n3)cc2F)ccc1OC ZINC000736308361 598829832 /nfs/dbraw/zinc/82/98/32/598829832.db2.gz CMFMNRYIZAJQDC-AWEZNQCLSA-N -1 3 382.399 3.307 20 30 GGEDHM CCc1nc2ccccc2c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1C ZINC000736705265 598916342 /nfs/dbraw/zinc/91/63/42/598916342.db2.gz GSYGDMDBLNPBLB-UHFFFAOYSA-N -1 3 383.415 3.410 20 30 GGEDHM CCc1nc2ccccc2c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1C ZINC000736705265 598916344 /nfs/dbraw/zinc/91/63/44/598916344.db2.gz GSYGDMDBLNPBLB-UHFFFAOYSA-N -1 3 383.415 3.410 20 30 GGEDHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737464221 598918135 /nfs/dbraw/zinc/91/81/35/598918135.db2.gz FZMYKSJOOAUCLS-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737464221 598918137 /nfs/dbraw/zinc/91/81/37/598918137.db2.gz FZMYKSJOOAUCLS-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737464265 598918532 /nfs/dbraw/zinc/91/85/32/598918532.db2.gz IBSFMRHCDNOJDZ-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737464265 598918534 /nfs/dbraw/zinc/91/85/34/598918534.db2.gz IBSFMRHCDNOJDZ-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737317989 598918599 /nfs/dbraw/zinc/91/85/99/598918599.db2.gz RAYGKDZLOMWLSZ-UHFFFAOYSA-N -1 3 376.420 3.188 20 30 GGEDHM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737317989 598918600 /nfs/dbraw/zinc/91/86/00/598918600.db2.gz RAYGKDZLOMWLSZ-UHFFFAOYSA-N -1 3 376.420 3.188 20 30 GGEDHM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737546115 598921633 /nfs/dbraw/zinc/92/16/33/598921633.db2.gz CSOBMRQYWOMCCL-UHFFFAOYSA-N -1 3 377.389 3.016 20 30 GGEDHM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737546115 598921634 /nfs/dbraw/zinc/92/16/34/598921634.db2.gz CSOBMRQYWOMCCL-UHFFFAOYSA-N -1 3 377.389 3.016 20 30 GGEDHM N#Cc1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716966 598921966 /nfs/dbraw/zinc/92/19/66/598921966.db2.gz XRZMCUOZSPSMPC-UHFFFAOYSA-N -1 3 384.852 3.264 20 30 GGEDHM N#Cc1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716966 598921968 /nfs/dbraw/zinc/92/19/68/598921968.db2.gz XRZMCUOZSPSMPC-UHFFFAOYSA-N -1 3 384.852 3.264 20 30 GGEDHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737261932 598919974 /nfs/dbraw/zinc/91/99/74/598919974.db2.gz AFKMNUOKALAWLU-NSHDSACASA-N -1 3 382.811 3.106 20 30 GGEDHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737261932 598919976 /nfs/dbraw/zinc/91/99/76/598919976.db2.gz AFKMNUOKALAWLU-NSHDSACASA-N -1 3 382.811 3.106 20 30 GGEDHM N#Cc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1-c1nnn[n-]1 ZINC000737718220 598927625 /nfs/dbraw/zinc/92/76/25/598927625.db2.gz GAHAPUFJHMXYIM-UHFFFAOYSA-N -1 3 381.399 3.416 20 30 GGEDHM N#Cc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1-c1nn[n-]n1 ZINC000737718220 598927626 /nfs/dbraw/zinc/92/76/26/598927626.db2.gz GAHAPUFJHMXYIM-UHFFFAOYSA-N -1 3 381.399 3.416 20 30 GGEDHM Cc1nc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)oc1-c1ccccc1 ZINC000737471818 598928498 /nfs/dbraw/zinc/92/84/98/598928498.db2.gz NMELUIPQYHGPAY-UHFFFAOYSA-N -1 3 399.414 3.273 20 30 GGEDHM Cc1nc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)oc1-c1ccccc1 ZINC000737471818 598928500 /nfs/dbraw/zinc/92/85/00/598928500.db2.gz NMELUIPQYHGPAY-UHFFFAOYSA-N -1 3 399.414 3.273 20 30 GGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000819773883 607253143 /nfs/dbraw/zinc/25/31/43/607253143.db2.gz WQGOKVCAGSJFQK-UHFFFAOYSA-N -1 3 390.369 3.322 20 30 GGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000819773883 607253144 /nfs/dbraw/zinc/25/31/44/607253144.db2.gz WQGOKVCAGSJFQK-UHFFFAOYSA-N -1 3 390.369 3.322 20 30 GGEDHM C=CCN(CC=C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000735419597 598945039 /nfs/dbraw/zinc/94/50/39/598945039.db2.gz XGWFFFNJZONTBZ-UHFFFAOYSA-N -1 3 383.500 3.013 20 30 GGEDHM C=CCN(CC=C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000735419597 598945040 /nfs/dbraw/zinc/94/50/40/598945040.db2.gz XGWFFFNJZONTBZ-UHFFFAOYSA-N -1 3 383.500 3.013 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000735418929 599072009 /nfs/dbraw/zinc/07/20/09/599072009.db2.gz LTTGEKZYMAXULT-FUHWJXTLSA-N -1 3 395.413 3.463 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000735418929 599072012 /nfs/dbraw/zinc/07/20/12/599072012.db2.gz LTTGEKZYMAXULT-FUHWJXTLSA-N -1 3 395.413 3.463 20 30 GGEDHM Cc1cn2c(/C=C3\CCc4cc(-c5nn[n-]n5)ccc4C3=O)c(C)nc2s1 ZINC000822388972 599111639 /nfs/dbraw/zinc/11/16/39/599111639.db2.gz HQJXGFBPDIZZMU-MDWZMJQESA-N -1 3 376.445 3.405 20 30 GGEDHM CCOc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1OC ZINC000821393863 599112330 /nfs/dbraw/zinc/11/23/30/599112330.db2.gz DMPBCTDLAWWWED-GDNBJRDFSA-N -1 3 376.416 3.487 20 30 GGEDHM CCOc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1OC ZINC000821393863 599112332 /nfs/dbraw/zinc/11/23/32/599112332.db2.gz DMPBCTDLAWWWED-GDNBJRDFSA-N -1 3 376.416 3.487 20 30 GGEDHM COc1ccc(C=NNc2ccc(Br)cc2F)cc1-c1nnn[n-]1 ZINC000737081795 599128455 /nfs/dbraw/zinc/12/84/55/599128455.db2.gz BYWTYWCVVKWSNL-UHFFFAOYSA-N -1 3 391.204 3.223 20 30 GGEDHM COc1ccc(C=NNc2ccc(Br)cc2F)cc1-c1nn[n-]n1 ZINC000737081795 599128458 /nfs/dbraw/zinc/12/84/58/599128458.db2.gz BYWTYWCVVKWSNL-UHFFFAOYSA-N -1 3 391.204 3.223 20 30 GGEDHM COc1ccc(C=NNc2ccc(OCC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737082908 599129055 /nfs/dbraw/zinc/12/90/55/599129055.db2.gz MGIURBAWGROWFZ-UHFFFAOYSA-N -1 3 392.341 3.262 20 30 GGEDHM COc1ccc(C=NNc2ccc(OCC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737082908 599129058 /nfs/dbraw/zinc/12/90/58/599129058.db2.gz MGIURBAWGROWFZ-UHFFFAOYSA-N -1 3 392.341 3.262 20 30 GGEDHM C=CC[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccncc1 ZINC000735409853 599146887 /nfs/dbraw/zinc/14/68/87/599146887.db2.gz MSQUSMFXUMNLON-LJQANCHMSA-N -1 3 389.463 3.253 20 30 GGEDHM C=CC[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccncc1 ZINC000735409853 599146889 /nfs/dbraw/zinc/14/68/89/599146889.db2.gz MSQUSMFXUMNLON-LJQANCHMSA-N -1 3 389.463 3.253 20 30 GGEDHM N#C[C@@H](C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)c1ccccn1 ZINC000737672671 599152868 /nfs/dbraw/zinc/15/28/68/599152868.db2.gz JHGZIQUHHIJWHT-LJQANCHMSA-N -1 3 396.410 3.331 20 30 GGEDHM COc1ccc(C=C2SC(=Nc3cccc(C)c3)NC2=O)cc1-c1nnn[n-]1 ZINC000737084055 599153446 /nfs/dbraw/zinc/15/34/46/599153446.db2.gz RSNQCPIZJVFQRX-MHWRWJLKSA-N -1 3 392.444 3.075 20 30 GGEDHM COc1ccc(C=C2SC(=Nc3cccc(C)c3)NC2=O)cc1-c1nn[n-]n1 ZINC000737084055 599153449 /nfs/dbraw/zinc/15/34/49/599153449.db2.gz RSNQCPIZJVFQRX-MHWRWJLKSA-N -1 3 392.444 3.075 20 30 GGEDHM Cc1cc(C)c(C#N)c(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)n1 ZINC000737242544 599159558 /nfs/dbraw/zinc/15/95/58/599159558.db2.gz WSLOGIQBXDKPSJ-UHFFFAOYSA-N -1 3 390.432 3.093 20 30 GGEDHM Cc1cc(C)c(C#N)c(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)n1 ZINC000737242544 599159560 /nfs/dbraw/zinc/15/95/60/599159560.db2.gz WSLOGIQBXDKPSJ-UHFFFAOYSA-N -1 3 390.432 3.093 20 30 GGEDHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736236386 599190663 /nfs/dbraw/zinc/19/06/63/599190663.db2.gz JAVJPBYOBKWQEP-MZMPZRCHSA-N -1 3 382.468 3.154 20 30 GGEDHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736236386 599190665 /nfs/dbraw/zinc/19/06/65/599190665.db2.gz JAVJPBYOBKWQEP-MZMPZRCHSA-N -1 3 382.468 3.154 20 30 GGEDHM N#Cc1cc(NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1-c1nnn[n-]1 ZINC000737708450 599197902 /nfs/dbraw/zinc/19/79/02/599197902.db2.gz GARJEAXVGQTFRL-UHFFFAOYSA-N -1 3 396.410 3.423 20 30 GGEDHM N#Cc1cc(NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1-c1nn[n-]n1 ZINC000737708450 599197904 /nfs/dbraw/zinc/19/79/04/599197904.db2.gz GARJEAXVGQTFRL-UHFFFAOYSA-N -1 3 396.410 3.423 20 30 GGEDHM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737348196 599199998 /nfs/dbraw/zinc/19/99/98/599199998.db2.gz VHQUTUSHCCBIJV-UHFFFAOYSA-N -1 3 375.436 3.144 20 30 GGEDHM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737348196 599200001 /nfs/dbraw/zinc/20/00/01/599200001.db2.gz VHQUTUSHCCBIJV-UHFFFAOYSA-N -1 3 375.436 3.144 20 30 GGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821109550 607288860 /nfs/dbraw/zinc/28/88/60/607288860.db2.gz LYWMYWGKVDOTGH-UHFFFAOYSA-N -1 3 375.436 3.491 20 30 GGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821109550 607288861 /nfs/dbraw/zinc/28/88/61/607288861.db2.gz LYWMYWGKVDOTGH-UHFFFAOYSA-N -1 3 375.436 3.491 20 30 GGEDHM CN(Cc1cccc(C#N)c1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000736821340 599269093 /nfs/dbraw/zinc/26/90/93/599269093.db2.gz DEKXLQFBIHXSQG-UHFFFAOYSA-N -1 3 377.358 3.201 20 30 GGEDHM CN(Cc1cccc(C#N)c1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000736821340 599269094 /nfs/dbraw/zinc/26/90/94/599269094.db2.gz DEKXLQFBIHXSQG-UHFFFAOYSA-N -1 3 377.358 3.201 20 30 GGEDHM C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820372523 599276038 /nfs/dbraw/zinc/27/60/38/599276038.db2.gz AASAXDJDEZQKQC-SNVBAGLBSA-N -1 3 399.361 3.222 20 30 GGEDHM C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820372523 599276040 /nfs/dbraw/zinc/27/60/40/599276040.db2.gz AASAXDJDEZQKQC-SNVBAGLBSA-N -1 3 399.361 3.222 20 30 GGEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000737062874 598324540 /nfs/dbraw/zinc/32/45/40/598324540.db2.gz SITPYPMQSNXWIU-UHFFFAOYSA-N -1 3 385.840 3.209 20 30 GGEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000737062874 598324542 /nfs/dbraw/zinc/32/45/42/598324542.db2.gz SITPYPMQSNXWIU-UHFFFAOYSA-N -1 3 385.840 3.209 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000735418560 598364847 /nfs/dbraw/zinc/36/48/47/598364847.db2.gz GQKKRKWPYFRGPF-UHFFFAOYSA-N -1 3 396.520 3.378 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000735418560 598364848 /nfs/dbraw/zinc/36/48/48/598364848.db2.gz GQKKRKWPYFRGPF-UHFFFAOYSA-N -1 3 396.520 3.378 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000735436376 598376425 /nfs/dbraw/zinc/37/64/25/598376425.db2.gz JWTBQJRRBMRCOF-DHZHZOJOSA-N -1 3 375.432 3.384 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000735436376 598376427 /nfs/dbraw/zinc/37/64/27/598376427.db2.gz JWTBQJRRBMRCOF-DHZHZOJOSA-N -1 3 375.432 3.384 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccccc2OC(F)F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201989 598376978 /nfs/dbraw/zinc/37/69/78/598376978.db2.gz IIXFWCABDPPZJK-HJWRWDBZSA-N -1 3 385.374 3.420 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccccc2OC(F)F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201989 598376980 /nfs/dbraw/zinc/37/69/80/598376980.db2.gz IIXFWCABDPPZJK-HJWRWDBZSA-N -1 3 385.374 3.420 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000735419515 598395115 /nfs/dbraw/zinc/39/51/15/598395115.db2.gz UFDFJTJYKGXSRP-UXHICEINSA-N -1 3 389.459 3.194 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000735419515 598395116 /nfs/dbraw/zinc/39/51/16/598395116.db2.gz UFDFJTJYKGXSRP-UXHICEINSA-N -1 3 389.459 3.194 20 30 GGEDHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000736113071 598479194 /nfs/dbraw/zinc/47/91/94/598479194.db2.gz WOOOWAYVRVMOGN-CQSZACIVSA-N -1 3 387.447 3.174 20 30 GGEDHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000736113071 598479195 /nfs/dbraw/zinc/47/91/95/598479195.db2.gz WOOOWAYVRVMOGN-CQSZACIVSA-N -1 3 387.447 3.174 20 30 GGEDHM C=CCc1ccc(OCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000735442415 598487061 /nfs/dbraw/zinc/48/70/61/598487061.db2.gz AUIGMHPVCDEBCY-CQSZACIVSA-N -1 3 394.431 3.287 20 30 GGEDHM C=CCc1ccc(OCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000735442415 598487063 /nfs/dbraw/zinc/48/70/63/598487063.db2.gz AUIGMHPVCDEBCY-CQSZACIVSA-N -1 3 394.431 3.287 20 30 GGEDHM C#CCOc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000735381297 598513676 /nfs/dbraw/zinc/51/36/76/598513676.db2.gz SLKUIMSLWQRKKN-UHFFFAOYSA-N -1 3 388.431 3.075 20 30 GGEDHM C#CCOc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000735381297 598513677 /nfs/dbraw/zinc/51/36/77/598513677.db2.gz SLKUIMSLWQRKKN-UHFFFAOYSA-N -1 3 388.431 3.075 20 30 GGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735505584 598513892 /nfs/dbraw/zinc/51/38/92/598513892.db2.gz RLKMIYQRDNYIIU-ZDUSSCGKSA-N -1 3 393.476 3.440 20 30 GGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735505584 598513894 /nfs/dbraw/zinc/51/38/94/598513894.db2.gz RLKMIYQRDNYIIU-ZDUSSCGKSA-N -1 3 393.476 3.440 20 30 GGEDHM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1C#N ZINC000736669282 598514890 /nfs/dbraw/zinc/51/48/90/598514890.db2.gz CBBNSRDDAXVSMC-SNVBAGLBSA-N -1 3 382.449 3.077 20 30 GGEDHM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1C#N ZINC000736669282 598514892 /nfs/dbraw/zinc/51/48/92/598514892.db2.gz CBBNSRDDAXVSMC-SNVBAGLBSA-N -1 3 382.449 3.077 20 30 GGEDHM CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccccc2C#N)c1-c1nnn[n-]1 ZINC000736669761 598515125 /nfs/dbraw/zinc/51/51/25/598515125.db2.gz JUEDEXWJIXEKMF-JTQLQIEISA-N -1 3 382.449 3.077 20 30 GGEDHM CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccccc2C#N)c1-c1nn[n-]n1 ZINC000736669761 598515126 /nfs/dbraw/zinc/51/51/26/598515126.db2.gz JUEDEXWJIXEKMF-JTQLQIEISA-N -1 3 382.449 3.077 20 30 GGEDHM CC(C)C[C@](C)(C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735755267 598549097 /nfs/dbraw/zinc/54/90/97/598549097.db2.gz DPQJGCPNJWPQBZ-HXUWFJFHSA-N -1 3 394.435 3.097 20 30 GGEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735972978 598556680 /nfs/dbraw/zinc/55/66/80/598556680.db2.gz AQZPWSWTHMUUTM-ZDUSSCGKSA-N -1 3 393.476 3.312 20 30 GGEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735506335 598564503 /nfs/dbraw/zinc/56/45/03/598564503.db2.gz VXHPSZPVEGNDIP-CYBMUJFWSA-N -1 3 377.408 3.282 20 30 GGEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735506335 598564505 /nfs/dbraw/zinc/56/45/05/598564505.db2.gz VXHPSZPVEGNDIP-CYBMUJFWSA-N -1 3 377.408 3.282 20 30 GGEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000737674280 598589837 /nfs/dbraw/zinc/58/98/37/598589837.db2.gz IGSAFKAFSMRBKP-ROJDOSBLSA-N -1 3 398.348 3.280 20 30 GGEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000737674280 598589839 /nfs/dbraw/zinc/58/98/39/598589839.db2.gz IGSAFKAFSMRBKP-ROJDOSBLSA-N -1 3 398.348 3.280 20 30 GGEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000737674279 598589976 /nfs/dbraw/zinc/58/99/76/598589976.db2.gz IGSAFKAFSMRBKP-QWGSZXSUSA-N -1 3 398.348 3.280 20 30 GGEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000737674279 598589977 /nfs/dbraw/zinc/58/99/77/598589977.db2.gz IGSAFKAFSMRBKP-QWGSZXSUSA-N -1 3 398.348 3.280 20 30 GGEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000735391176 598591724 /nfs/dbraw/zinc/59/17/24/598591724.db2.gz OEPXMSXWGOVNQW-UHFFFAOYSA-N -1 3 375.413 3.350 20 30 GGEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000735391176 598591726 /nfs/dbraw/zinc/59/17/26/598591726.db2.gz OEPXMSXWGOVNQW-UHFFFAOYSA-N -1 3 375.413 3.350 20 30 GGEDHM Cc1c(C(=O)C=Cc2c(Cl)nc3ccccn32)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201261 598639242 /nfs/dbraw/zinc/63/92/42/598639242.db2.gz BEXGEIQZFFWMGE-FPLPWBNLSA-N -1 3 393.838 3.120 20 30 GGEDHM Cc1c(C(=O)C=Cc2c(Cl)nc3ccccn32)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201261 598639244 /nfs/dbraw/zinc/63/92/44/598639244.db2.gz BEXGEIQZFFWMGE-FPLPWBNLSA-N -1 3 393.838 3.120 20 30 GGEDHM C=CCOc1ccccc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000735435863 598640352 /nfs/dbraw/zinc/64/03/52/598640352.db2.gz AHXIBTSOYQQUDK-KHPPLWFESA-N -1 3 375.432 3.384 20 30 GGEDHM C=CCOc1ccccc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000735435863 598640354 /nfs/dbraw/zinc/64/03/54/598640354.db2.gz AHXIBTSOYQQUDK-KHPPLWFESA-N -1 3 375.432 3.384 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(O[C@@H](C)C#N)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204079 598641080 /nfs/dbraw/zinc/64/10/80/598641080.db2.gz XRMFTVJIZOFROY-SZNGSJQDSA-N -1 3 388.431 3.110 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(O[C@@H](C)C#N)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204079 598641082 /nfs/dbraw/zinc/64/10/82/598641082.db2.gz XRMFTVJIZOFROY-SZNGSJQDSA-N -1 3 388.431 3.110 20 30 GGEDHM N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2)nc1 ZINC000609503602 598644644 /nfs/dbraw/zinc/64/46/44/598644644.db2.gz ZFPDWAXRMKZQRH-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000609503602 598644645 /nfs/dbraw/zinc/64/46/45/598644645.db2.gz ZFPDWAXRMKZQRH-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM N#Cc1ccc(Oc2ccc(C(=O)Nc3sccc3-c3nnn[n-]3)cc2)nc1 ZINC000737721028 598647220 /nfs/dbraw/zinc/64/72/20/598647220.db2.gz FUEXULQHNDRKLW-UHFFFAOYSA-N -1 3 389.400 3.239 20 30 GGEDHM N#Cc1ccc(Oc2ccc(C(=O)Nc3sccc3-c3nn[n-]n3)cc2)nc1 ZINC000737721028 598647222 /nfs/dbraw/zinc/64/72/22/598647222.db2.gz FUEXULQHNDRKLW-UHFFFAOYSA-N -1 3 389.400 3.239 20 30 GGEDHM C=CCc1ccc(OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000735443100 598647904 /nfs/dbraw/zinc/64/79/04/598647904.db2.gz PTKASCLMIKZWSQ-UHFFFAOYSA-N -1 3 382.445 3.302 20 30 GGEDHM C=CCc1ccc(OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000735443100 598647906 /nfs/dbraw/zinc/64/79/06/598647906.db2.gz PTKASCLMIKZWSQ-UHFFFAOYSA-N -1 3 382.445 3.302 20 30 GGEDHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000736504864 598652160 /nfs/dbraw/zinc/65/21/60/598652160.db2.gz ICKNPKQTVWYQAP-AWEZNQCLSA-N -1 3 392.488 3.440 20 30 GGEDHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000736504864 598652162 /nfs/dbraw/zinc/65/21/62/598652162.db2.gz ICKNPKQTVWYQAP-AWEZNQCLSA-N -1 3 392.488 3.440 20 30 GGEDHM C=CC1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000735403137 598666095 /nfs/dbraw/zinc/66/60/95/598666095.db2.gz QBZJOJIAMSLTFI-UHFFFAOYSA-N -1 3 376.420 3.092 20 30 GGEDHM C=CC1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000735403137 598666097 /nfs/dbraw/zinc/66/60/97/598666097.db2.gz QBZJOJIAMSLTFI-UHFFFAOYSA-N -1 3 376.420 3.092 20 30 GGEDHM CC(C)(C)CN(CCC#N)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735602661 598688076 /nfs/dbraw/zinc/68/80/76/598688076.db2.gz PRSWSDNSJOQEPG-UHFFFAOYSA-N -1 3 384.484 3.204 20 30 GGEDHM CC(C)(C)CN(CCC#N)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735602661 598688077 /nfs/dbraw/zinc/68/80/77/598688077.db2.gz PRSWSDNSJOQEPG-UHFFFAOYSA-N -1 3 384.484 3.204 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735736696 598709364 /nfs/dbraw/zinc/70/93/64/598709364.db2.gz VNBKTGNZMWDPBU-GOSISDBHSA-N -1 3 395.394 3.024 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735736696 598709366 /nfs/dbraw/zinc/70/93/66/598709366.db2.gz VNBKTGNZMWDPBU-GOSISDBHSA-N -1 3 395.394 3.024 20 30 GGEDHM N#Cc1cccc(OCCCCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737730520 598726547 /nfs/dbraw/zinc/72/65/47/598726547.db2.gz MUKQNSPPLNGATH-UHFFFAOYSA-N -1 3 377.404 3.031 20 30 GGEDHM N#Cc1cccc(OCCCCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737730520 598726548 /nfs/dbraw/zinc/72/65/48/598726548.db2.gz MUKQNSPPLNGATH-UHFFFAOYSA-N -1 3 377.404 3.031 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)nc1 ZINC000735389380 598735593 /nfs/dbraw/zinc/73/55/93/598735593.db2.gz AYIYBNLGRCMQSB-UHFFFAOYSA-N -1 3 382.383 3.288 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)nc1 ZINC000735389380 598735594 /nfs/dbraw/zinc/73/55/94/598735594.db2.gz AYIYBNLGRCMQSB-UHFFFAOYSA-N -1 3 382.383 3.288 20 30 GGEDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCC#Cc1ccccc1 ZINC000737842716 598736081 /nfs/dbraw/zinc/73/60/81/598736081.db2.gz VNOMWEZFYIROQH-UHFFFAOYSA-N -1 3 376.416 3.011 20 30 GGEDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCC#Cc1ccccc1 ZINC000737842716 598736083 /nfs/dbraw/zinc/73/60/83/598736083.db2.gz VNOMWEZFYIROQH-UHFFFAOYSA-N -1 3 376.416 3.011 20 30 GGEDHM N#Cc1ccc(OC2CCN(c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000737721147 598756360 /nfs/dbraw/zinc/75/63/60/598756360.db2.gz HKPVLAPHVGNZMQ-UHFFFAOYSA-N -1 3 382.374 3.064 20 30 GGEDHM N#Cc1ccc(OC2CCN(c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737721147 598756361 /nfs/dbraw/zinc/75/63/61/598756361.db2.gz HKPVLAPHVGNZMQ-UHFFFAOYSA-N -1 3 382.374 3.064 20 30 GGEDHM N#CCCCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737687595 598782473 /nfs/dbraw/zinc/78/24/73/598782473.db2.gz KEVAUYSSEUEHLF-UHFFFAOYSA-N -1 3 377.408 3.474 20 30 GGEDHM N#CCCCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737687595 598782474 /nfs/dbraw/zinc/78/24/74/598782474.db2.gz KEVAUYSSEUEHLF-UHFFFAOYSA-N -1 3 377.408 3.474 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000819743558 599317588 /nfs/dbraw/zinc/31/75/88/599317588.db2.gz LYBWDHGIAGWZTP-NZQKXSOJSA-N -1 3 385.471 3.285 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000819743558 599317590 /nfs/dbraw/zinc/31/75/90/599317590.db2.gz LYBWDHGIAGWZTP-NZQKXSOJSA-N -1 3 385.471 3.285 20 30 GGEDHM COCc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000821695870 599339905 /nfs/dbraw/zinc/33/99/05/599339905.db2.gz LEBWSIFBVTZALW-UHFFFAOYSA-N -1 3 376.342 3.478 20 30 GGEDHM COCc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000821695870 599339907 /nfs/dbraw/zinc/33/99/07/599339907.db2.gz LEBWSIFBVTZALW-UHFFFAOYSA-N -1 3 376.342 3.478 20 30 GGEDHM C=CCSCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735436905 599566248 /nfs/dbraw/zinc/56/62/48/599566248.db2.gz TVIRYDIXEPSSOB-UHFFFAOYSA-N -1 3 380.477 3.259 20 30 GGEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737368914 599714879 /nfs/dbraw/zinc/71/48/79/599714879.db2.gz BPCWVADTIMJISL-UHFFFAOYSA-N -1 3 399.426 3.383 20 30 GGEDHM N#CC(C(=O)CCCNC(=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 ZINC000739076238 599799353 /nfs/dbraw/zinc/79/93/53/599799353.db2.gz ZBKYGAVPDKAZLX-OAHLLOKOSA-N -1 3 381.388 3.174 20 30 GGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC000826243545 607399541 /nfs/dbraw/zinc/39/95/41/607399541.db2.gz MAQORQJGQIUGCB-GOSISDBHSA-N -1 3 396.410 3.290 20 30 GGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC000826243545 607399543 /nfs/dbraw/zinc/39/95/43/607399543.db2.gz MAQORQJGQIUGCB-GOSISDBHSA-N -1 3 396.410 3.290 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC000736095131 599993390 /nfs/dbraw/zinc/99/33/90/599993390.db2.gz KGWVLUPKFBIONE-UHFFFAOYSA-N -1 3 386.496 3.147 20 30 GGEDHM Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC000738438299 600015762 /nfs/dbraw/zinc/01/57/62/600015762.db2.gz QQKNTDJZEDRHMJ-UHFFFAOYSA-N -1 3 380.448 3.161 20 30 GGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCSC1=Nc1ccccc1 ZINC000826244714 607428635 /nfs/dbraw/zinc/42/86/35/607428635.db2.gz BGEYSXSIULECRL-UHFFFAOYSA-N -1 3 378.461 3.442 20 30 GGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCSC1=Nc1ccccc1 ZINC000826244714 607428637 /nfs/dbraw/zinc/42/86/37/607428637.db2.gz BGEYSXSIULECRL-UHFFFAOYSA-N -1 3 378.461 3.442 20 30 GGEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737387828 600212636 /nfs/dbraw/zinc/21/26/36/600212636.db2.gz VHNHSTQPIYNFKJ-KBXCAEBGSA-N -1 3 379.441 3.230 20 30 GGEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737387830 600212646 /nfs/dbraw/zinc/21/26/46/600212646.db2.gz VHNHSTQPIYNFKJ-KDOFPFPSSA-N -1 3 379.441 3.230 20 30 GGEDHM N#CCC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381671 607429191 /nfs/dbraw/zinc/42/91/91/607429191.db2.gz UMSXAOSLJDWUDU-QGZVFWFLSA-N -1 3 378.461 3.120 20 30 GGEDHM N#CCC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381671 607429193 /nfs/dbraw/zinc/42/91/93/607429193.db2.gz UMSXAOSLJDWUDU-QGZVFWFLSA-N -1 3 378.461 3.120 20 30 GGEDHM COc1cc(CN2CCC(C(=O)[O-])CC2)ccc1OCc1cccc(C#N)c1 ZINC000737880360 600260962 /nfs/dbraw/zinc/26/09/62/600260962.db2.gz AMQMKLNYUZYOBF-UHFFFAOYSA-N -1 3 380.444 3.442 20 30 GGEDHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC(F)F ZINC000737995923 600563659 /nfs/dbraw/zinc/56/36/59/600563659.db2.gz UEYNVCMFCBWCHC-QGZVFWFLSA-N -1 3 376.359 3.426 20 30 GGEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000736662113 600593007 /nfs/dbraw/zinc/59/30/07/600593007.db2.gz LXVKLNUOCGNLPJ-BFUOFWGJSA-N -1 3 378.432 3.319 20 30 GGEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000736662114 600593255 /nfs/dbraw/zinc/59/32/55/600593255.db2.gz LXVKLNUOCGNLPJ-DJJJIMSYSA-N -1 3 378.432 3.319 20 30 GGEDHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(F)F ZINC000737191342 600594582 /nfs/dbraw/zinc/59/45/82/600594582.db2.gz IOCBHUSASAZKLJ-KRWDZBQOSA-N -1 3 376.359 3.474 20 30 GGEDHM N#Cc1ccc([C@@H](NCc2cccc(NC(=O)c3ccncc3)c2)C(=O)[O-])cc1 ZINC000739107126 600595961 /nfs/dbraw/zinc/59/59/61/600595961.db2.gz PKWQPEXGIXCLBG-HXUWFJFHSA-N -1 3 386.411 3.121 20 30 GGEDHM Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)S1 ZINC000822362466 607456320 /nfs/dbraw/zinc/45/63/20/607456320.db2.gz UTMLDKZUXCPELQ-OQLLNIDSSA-N -1 3 380.408 3.206 20 30 GGEDHM Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)S1 ZINC000822362466 607456321 /nfs/dbraw/zinc/45/63/21/607456321.db2.gz UTMLDKZUXCPELQ-OQLLNIDSSA-N -1 3 380.408 3.206 20 30 GGEDHM Fc1cc(F)c(NN=Cc2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000822753627 607465417 /nfs/dbraw/zinc/46/54/17/607465417.db2.gz QFMZGBXHTMPTFA-UHFFFAOYSA-N -1 3 397.158 3.493 20 30 GGEDHM Fc1cc(F)c(NN=Cc2ccc(-c3nn[n-]n3)cc2F)c(Br)c1 ZINC000822753627 607465418 /nfs/dbraw/zinc/46/54/18/607465418.db2.gz QFMZGBXHTMPTFA-UHFFFAOYSA-N -1 3 397.158 3.493 20 30 GGEDHM N#Cc1ccc([C@@H](OC(=O)C2CCN(Cc3ccccc3)CC2)C(=O)[O-])cc1 ZINC000739110096 600804161 /nfs/dbraw/zinc/80/41/61/600804161.db2.gz OMYIPYGVIGVFDH-HXUWFJFHSA-N -1 3 378.428 3.139 20 30 GGEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000833071880 601037828 /nfs/dbraw/zinc/03/78/28/601037828.db2.gz MILVZHVJTFUILT-IBGZPJMESA-N -1 3 381.388 3.136 20 30 GGEDHM N#Cc1cccc([C@@H](NCc2ccc(NC(=O)c3cccnc3)cc2)C(=O)[O-])c1 ZINC000833076132 601303454 /nfs/dbraw/zinc/30/34/54/601303454.db2.gz QOATZYRFMWGCEN-HXUWFJFHSA-N -1 3 386.411 3.121 20 30 GGEDHM N#Cc1cccc([C@H](NCc2ccc(NC(=O)c3ccncc3)cc2)C(=O)[O-])c1 ZINC000833075971 601304609 /nfs/dbraw/zinc/30/46/09/601304609.db2.gz PDMIMWOUPXUBGU-FQEVSTJZSA-N -1 3 386.411 3.121 20 30 GGEDHM CC[C@@H](C#N)Oc1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC000828586329 601304935 /nfs/dbraw/zinc/30/49/35/601304935.db2.gz DJNIXTUZDBZMSF-PXNSSMCTSA-N -1 3 379.416 3.163 20 30 GGEDHM CC[C@@H]1Oc2cc([C@H](C)N[C@H](C(=O)[O-])c3cccc(C#N)c3)ccc2NC1=O ZINC000829170547 601307075 /nfs/dbraw/zinc/30/70/75/601307075.db2.gz VUOYQXJTNAKUQP-KHDYIWLOSA-N -1 3 379.416 3.144 20 30 GGEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000833074503 601312186 /nfs/dbraw/zinc/31/21/86/601312186.db2.gz ZIBSBRIPBPBVGC-IBGZPJMESA-N -1 3 396.422 3.109 20 30 GGEDHM Cc1cc(N2CCCN(Cc3ccc(C#N)cc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891319 601544597 /nfs/dbraw/zinc/54/45/97/601544597.db2.gz QIJAZYVSXVDMPM-UHFFFAOYSA-N -1 3 394.431 3.185 20 30 GGEDHM FC(F)(F)c1ccc(CON=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000826368183 607533062 /nfs/dbraw/zinc/53/30/62/607533062.db2.gz FYLRIPUVOGBJLF-UHFFFAOYSA-N -1 3 387.325 3.084 20 30 GGEDHM FC(F)(F)c1ccc(CON=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000826368183 607533064 /nfs/dbraw/zinc/53/30/64/607533064.db2.gz FYLRIPUVOGBJLF-UHFFFAOYSA-N -1 3 387.325 3.084 20 30 GGEDHM CN(CCC(=O)Nc1ccccc1C#N)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727031 601906204 /nfs/dbraw/zinc/90/62/04/601906204.db2.gz GFRBHEUYGQOKCA-GOSISDBHSA-N -1 3 391.349 3.062 20 30 GGEDHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000832041364 604468405 /nfs/dbraw/zinc/46/84/05/604468405.db2.gz RQWYIIPJRJGDGP-OAQYLSRUSA-N -1 3 396.443 3.245 20 30 GGEDHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000832040731 604470108 /nfs/dbraw/zinc/47/01/08/604470108.db2.gz IRIDRRYIYQWKEO-OAQYLSRUSA-N -1 3 396.443 3.245 20 30 GGEDHM C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824498417 607706913 /nfs/dbraw/zinc/70/69/13/607706913.db2.gz GZHZDEIXEBPROS-KDOFPFPSSA-N -1 3 375.436 3.272 20 30 GGEDHM C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824498417 607706915 /nfs/dbraw/zinc/70/69/15/607706915.db2.gz GZHZDEIXEBPROS-KDOFPFPSSA-N -1 3 375.436 3.272 20 30 GGEDHM C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824498416 607707170 /nfs/dbraw/zinc/70/71/70/607707170.db2.gz GZHZDEIXEBPROS-KBXCAEBGSA-N -1 3 375.436 3.272 20 30 GGEDHM C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824498416 607707171 /nfs/dbraw/zinc/70/71/71/607707171.db2.gz GZHZDEIXEBPROS-KBXCAEBGSA-N -1 3 375.436 3.272 20 30 GGEDHM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833402132 604939883 /nfs/dbraw/zinc/93/98/83/604939883.db2.gz BRKCREJEULDVTD-JKSUJKDBSA-N -1 3 389.471 3.284 20 30 GGEDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3cccc(C(=O)[O-])c3C#N)C[C@H]21 ZINC000833439700 605428353 /nfs/dbraw/zinc/42/83/53/605428353.db2.gz WVIYYYAIXODEAQ-ATZDWAIDSA-N -1 3 399.491 3.382 20 30 GGEDHM N#Cc1cc2ccccc2nc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822823608 606069553 /nfs/dbraw/zinc/06/95/53/606069553.db2.gz UHVMTLISEORUSN-UHFFFAOYSA-N -1 3 397.442 3.334 20 30 GGEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1Br ZINC000822226353 606150028 /nfs/dbraw/zinc/15/00/28/606150028.db2.gz NYBOJOZNMADSEL-UHFFFAOYSA-N -1 3 383.209 3.062 20 30 GGEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1Br ZINC000822226353 606150030 /nfs/dbraw/zinc/15/00/30/606150030.db2.gz NYBOJOZNMADSEL-UHFFFAOYSA-N -1 3 383.209 3.062 20 30 GGEDHM N#CCCN(CC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822806932 606154066 /nfs/dbraw/zinc/15/40/66/606154066.db2.gz WKBWGZBDSHAECA-UHFFFAOYSA-N -1 3 379.346 3.043 20 30 GGEDHM N#CCCN(CC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822806932 606154067 /nfs/dbraw/zinc/15/40/67/606154067.db2.gz WKBWGZBDSHAECA-UHFFFAOYSA-N -1 3 379.346 3.043 20 30 GGEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000820015155 606204817 /nfs/dbraw/zinc/20/48/17/606204817.db2.gz AYVHUUCXUJEXNB-GOSISDBHSA-N -1 3 377.404 3.151 20 30 GGEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000820015155 606204819 /nfs/dbraw/zinc/20/48/19/606204819.db2.gz AYVHUUCXUJEXNB-GOSISDBHSA-N -1 3 377.404 3.151 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1occc1Br ZINC000819745762 606236741 /nfs/dbraw/zinc/23/67/41/606236741.db2.gz RDTDYAJORMEAOI-UHFFFAOYSA-N -1 3 388.225 3.051 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1occc1Br ZINC000819745762 606236743 /nfs/dbraw/zinc/23/67/43/606236743.db2.gz RDTDYAJORMEAOI-UHFFFAOYSA-N -1 3 388.225 3.051 20 30 GGEDHM Cc1ccc(N=C2NC(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)S2)c(C)c1 ZINC000822254563 606303722 /nfs/dbraw/zinc/30/37/22/606303722.db2.gz NAEHBDAINHNPJO-AUWJEWJLSA-N -1 3 382.474 3.437 20 30 GGEDHM Cc1ccc(N=C2NC(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)S2)c(C)c1 ZINC000822254563 606303724 /nfs/dbraw/zinc/30/37/24/606303724.db2.gz NAEHBDAINHNPJO-AUWJEWJLSA-N -1 3 382.474 3.437 20 30 GGEDHM C[C@@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820498180 606342239 /nfs/dbraw/zinc/34/22/39/606342239.db2.gz ZBBCSECLITXTAK-CYBMUJFWSA-N -1 3 379.445 3.276 20 30 GGEDHM C[C@@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820498180 606342241 /nfs/dbraw/zinc/34/22/41/606342241.db2.gz ZBBCSECLITXTAK-CYBMUJFWSA-N -1 3 379.445 3.276 20 30 GGEDHM C[C@H](OC(=O)CSCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497194 606342457 /nfs/dbraw/zinc/34/24/57/606342457.db2.gz QJGCBHUTXXFZNV-ZDUSSCGKSA-N -1 3 379.445 3.276 20 30 GGEDHM C[C@H](OC(=O)CSCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497194 606342460 /nfs/dbraw/zinc/34/24/60/606342460.db2.gz QJGCBHUTXXFZNV-ZDUSSCGKSA-N -1 3 379.445 3.276 20 30 GGEDHM C[C@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488870 606353933 /nfs/dbraw/zinc/35/39/33/606353933.db2.gz VVOITYMBPQGHRQ-IFXJQAMLSA-N -1 3 388.431 3.012 20 30 GGEDHM C[C@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488870 606353934 /nfs/dbraw/zinc/35/39/34/606353934.db2.gz VVOITYMBPQGHRQ-IFXJQAMLSA-N -1 3 388.431 3.012 20 30 GGEDHM C[C@@H](OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820486601 606354187 /nfs/dbraw/zinc/35/41/87/606354187.db2.gz BXYWSINCZVWDBX-AUUYWEPGSA-N -1 3 388.431 3.012 20 30 GGEDHM C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820486612 606354233 /nfs/dbraw/zinc/35/42/33/606354233.db2.gz BXYWSINCZVWDBX-LIRRHRJNSA-N -1 3 388.431 3.012 20 30 GGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819745881 606354962 /nfs/dbraw/zinc/35/49/62/606354962.db2.gz SQGNRFXFYXTJMJ-UHFFFAOYSA-N -1 3 377.383 3.098 20 30 GGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819745881 606354963 /nfs/dbraw/zinc/35/49/63/606354963.db2.gz SQGNRFXFYXTJMJ-UHFFFAOYSA-N -1 3 377.383 3.098 20 30 GGEDHM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)S1 ZINC000822294396 606387387 /nfs/dbraw/zinc/38/73/87/606387387.db2.gz ZKHKMIFXSRMNHP-MDWZMJQESA-N -1 3 382.474 3.437 20 30 GGEDHM COc1cc(OC)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000821723947 606388531 /nfs/dbraw/zinc/38/85/31/606388531.db2.gz NJGWSAAOJTZOQO-HWKANZROSA-N -1 3 376.825 3.495 20 30 GGEDHM O=C1c2cc(Br)ccc2OC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823504656 606391614 /nfs/dbraw/zinc/39/16/14/606391614.db2.gz SMIIACVFRSDBMM-WDZFZDKYSA-N -1 3 375.207 3.307 20 30 GGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822802033 606420586 /nfs/dbraw/zinc/42/05/86/606420586.db2.gz UMDKNGKPHSXCNX-JKSUJKDBSA-N -1 3 375.392 3.051 20 30 GGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822802033 606420588 /nfs/dbraw/zinc/42/05/88/606420588.db2.gz UMDKNGKPHSXCNX-JKSUJKDBSA-N -1 3 375.392 3.051 20 30 GGEDHM N#Cc1csc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000822845659 606478920 /nfs/dbraw/zinc/47/89/20/606478920.db2.gz AZZUZRDCAMZHQA-UHFFFAOYSA-N -1 3 379.430 3.176 20 30 GGEDHM N#Cc1csc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000822845659 606478922 /nfs/dbraw/zinc/47/89/22/606478922.db2.gz AZZUZRDCAMZHQA-UHFFFAOYSA-N -1 3 379.430 3.176 20 30 GGEDHM N#Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)s1 ZINC000822822726 606506795 /nfs/dbraw/zinc/50/67/95/606506795.db2.gz DIGGHQRKKUFPAQ-UHFFFAOYSA-N -1 3 376.401 3.240 20 30 GGEDHM N#Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)s1 ZINC000822822726 606506797 /nfs/dbraw/zinc/50/67/97/606506797.db2.gz DIGGHQRKKUFPAQ-UHFFFAOYSA-N -1 3 376.401 3.240 20 30 GGEDHM N#Cc1cccc(Oc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cn2)c1 ZINC000822837549 606510707 /nfs/dbraw/zinc/51/07/07/606510707.db2.gz NUHXDNDEOLNFHC-UHFFFAOYSA-N -1 3 397.398 3.107 20 30 GGEDHM N#Cc1cccc(Oc2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cn2)c1 ZINC000822837549 606510709 /nfs/dbraw/zinc/51/07/09/606510709.db2.gz NUHXDNDEOLNFHC-UHFFFAOYSA-N -1 3 397.398 3.107 20 30 GGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821109537 606670538 /nfs/dbraw/zinc/67/05/38/606670538.db2.gz LRVNIPAIHHNXKV-UHFFFAOYSA-N -1 3 382.374 3.069 20 30 GGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821109537 606670539 /nfs/dbraw/zinc/67/05/39/606670539.db2.gz LRVNIPAIHHNXKV-UHFFFAOYSA-N -1 3 382.374 3.069 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccc(F)cc1C ZINC000819745872 606719655 /nfs/dbraw/zinc/71/96/55/606719655.db2.gz SKIGLJBSKSQDER-UHFFFAOYSA-N -1 3 394.454 3.255 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ccc(F)cc1C ZINC000819745872 606719656 /nfs/dbraw/zinc/71/96/56/606719656.db2.gz SKIGLJBSKSQDER-UHFFFAOYSA-N -1 3 394.454 3.255 20 30 GGEDHM C#CCN(CC#CC)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819697864 606795536 /nfs/dbraw/zinc/79/55/36/606795536.db2.gz MNZBGRUQXYHFAM-UHFFFAOYSA-N -1 3 385.427 3.066 20 30 GGEDHM C#CCN(CC#CC)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819697864 606795538 /nfs/dbraw/zinc/79/55/38/606795538.db2.gz MNZBGRUQXYHFAM-UHFFFAOYSA-N -1 3 385.427 3.066 20 30 GGEDHM N#CC1(OC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CCC1 ZINC000822801413 606801641 /nfs/dbraw/zinc/80/16/41/606801641.db2.gz JAWPERSRCNFXTA-UHFFFAOYSA-N -1 3 375.388 3.049 20 30 GGEDHM N#CC1(OC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CCC1 ZINC000822801413 606801643 /nfs/dbraw/zinc/80/16/43/606801643.db2.gz JAWPERSRCNFXTA-UHFFFAOYSA-N -1 3 375.388 3.049 20 30 GGEDHM C=C(C)COCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819723115 606803831 /nfs/dbraw/zinc/80/38/31/606803831.db2.gz ZJACTDRWECAEMD-UHFFFAOYSA-N -1 3 393.447 3.290 20 30 GGEDHM C=C(C)COCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819723115 606803833 /nfs/dbraw/zinc/80/38/33/606803833.db2.gz ZJACTDRWECAEMD-UHFFFAOYSA-N -1 3 393.447 3.290 20 30 GGEDHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000821699336 606982352 /nfs/dbraw/zinc/98/23/52/606982352.db2.gz MMJDHNZDSLMYAQ-UHFFFAOYSA-N -1 3 386.209 3.088 20 30 GGEDHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000821699336 606982354 /nfs/dbraw/zinc/98/23/54/606982354.db2.gz MMJDHNZDSLMYAQ-UHFFFAOYSA-N -1 3 386.209 3.088 20 30 GGEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(F)c(C#N)c1 ZINC000820033588 606996264 /nfs/dbraw/zinc/99/62/64/606996264.db2.gz XIWYNFGJKIDYIZ-SFHVURJKSA-N -1 3 395.394 3.024 20 30 GGEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(F)c(C#N)c1 ZINC000820033588 606996265 /nfs/dbraw/zinc/99/62/65/606996265.db2.gz XIWYNFGJKIDYIZ-SFHVURJKSA-N -1 3 395.394 3.024 20 30 GGEDHM C=CCN(Cc1nc([C@@H](C)SCC)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745589 607067889 /nfs/dbraw/zinc/06/78/89/607067889.db2.gz KZPLWKUFTZSTCT-CYBMUJFWSA-N -1 3 385.497 3.252 20 30 GGEDHM C=CCN(Cc1nc([C@@H](C)SCC)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745589 607067891 /nfs/dbraw/zinc/06/78/91/607067891.db2.gz KZPLWKUFTZSTCT-CYBMUJFWSA-N -1 3 385.497 3.252 20 30 GGEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCC#Cc1ccccc1 ZINC000820001280 607090482 /nfs/dbraw/zinc/09/04/82/607090482.db2.gz HZPBHEHOXKAQKK-UHFFFAOYSA-N -1 3 376.416 3.009 20 30 GGEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCC#Cc1ccccc1 ZINC000820001280 607090484 /nfs/dbraw/zinc/09/04/84/607090484.db2.gz HZPBHEHOXKAQKK-UHFFFAOYSA-N -1 3 376.416 3.009 20 30 GGEDHM FC(F)(F)c1ccc(CNN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000822723430 607147684 /nfs/dbraw/zinc/14/76/84/607147684.db2.gz DQSWFMXWLHNWAS-UHFFFAOYSA-N -1 3 385.353 3.491 20 30 GGEDHM FC(F)(F)c1ccc(CNN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000822723430 607147685 /nfs/dbraw/zinc/14/76/85/607147685.db2.gz DQSWFMXWLHNWAS-UHFFFAOYSA-N -1 3 385.353 3.491 20 30 GGEDHM C=CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1ccccn1 ZINC000819765077 607169408 /nfs/dbraw/zinc/16/94/08/607169408.db2.gz MVNHRSQZNCKZES-UHFFFAOYSA-N -1 3 394.439 3.138 20 30 GGEDHM C=CCn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1ccccn1 ZINC000819765077 607169409 /nfs/dbraw/zinc/16/94/09/607169409.db2.gz MVNHRSQZNCKZES-UHFFFAOYSA-N -1 3 394.439 3.138 20 30 GGEDHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(C)c1 ZINC000822263007 607238427 /nfs/dbraw/zinc/23/84/27/607238427.db2.gz HRGRQCXOJNIXQQ-UHFFFAOYSA-N -1 3 376.420 3.153 20 30 GGEDHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(C)c1 ZINC000822263007 607238428 /nfs/dbraw/zinc/23/84/28/607238428.db2.gz HRGRQCXOJNIXQQ-UHFFFAOYSA-N -1 3 376.420 3.153 20 30 GGEDHM N#Cc1cc(NC(=O)CCCOc2ccc3c(c2)CCC3)ccc1-c1nnn[n-]1 ZINC000822822708 607238637 /nfs/dbraw/zinc/23/86/37/607238637.db2.gz CODXCNBVVWQQMS-UHFFFAOYSA-N -1 3 388.431 3.025 20 30 GGEDHM N#Cc1cc(NC(=O)CCCOc2ccc3c(c2)CCC3)ccc1-c1nn[n-]n1 ZINC000822822708 607238638 /nfs/dbraw/zinc/23/86/38/607238638.db2.gz CODXCNBVVWQQMS-UHFFFAOYSA-N -1 3 388.431 3.025 20 30 GGEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)OCC ZINC000823874757 607881641 /nfs/dbraw/zinc/88/16/41/607881641.db2.gz YPPPOKAWFXUPDI-QGZVFWFLSA-N -1 3 394.435 3.364 20 30 GGEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)OCC ZINC000823874757 607881642 /nfs/dbraw/zinc/88/16/42/607881642.db2.gz YPPPOKAWFXUPDI-QGZVFWFLSA-N -1 3 394.435 3.364 20 30 GGEDHM Cc1cccc2ncc(C=NNc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)n21 ZINC000826304942 607888701 /nfs/dbraw/zinc/88/87/01/607888701.db2.gz FDUINBYFVJZXPV-UHFFFAOYSA-N -1 3 386.341 3.288 20 30 GGEDHM Cc1cccc2ncc(C=NNc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)n21 ZINC000826304942 607888702 /nfs/dbraw/zinc/88/87/02/607888702.db2.gz FDUINBYFVJZXPV-UHFFFAOYSA-N -1 3 386.341 3.288 20 30 GGEDHM C=C(C)[C@@H](CC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)OCC ZINC000823873003 607922841 /nfs/dbraw/zinc/92/28/41/607922841.db2.gz GQTFAGZCTCUMFE-GOSISDBHSA-N -1 3 381.436 3.364 20 30 GGEDHM C=C(C)[C@@H](CC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)OCC ZINC000823873003 607922842 /nfs/dbraw/zinc/92/28/42/607922842.db2.gz GQTFAGZCTCUMFE-GOSISDBHSA-N -1 3 381.436 3.364 20 30 GGEDHM CS[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826225060 607944761 /nfs/dbraw/zinc/94/47/61/607944761.db2.gz SBOBWZGMABOBBQ-GWCFXTLKSA-N -1 3 384.490 3.308 20 30 GGEDHM CS[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826225060 607944762 /nfs/dbraw/zinc/94/47/62/607944762.db2.gz SBOBWZGMABOBBQ-GWCFXTLKSA-N -1 3 384.490 3.308 20 30 GGEDHM COc1ccc(CON=Cc2ccc(OC(C)C)c(OC)c2)cc1-c1nnn[n-]1 ZINC000826178654 607971856 /nfs/dbraw/zinc/97/18/56/607971856.db2.gz HBEKBLZKBNWUBO-UHFFFAOYSA-N -1 3 397.435 3.222 20 30 GGEDHM COc1ccc(CON=Cc2ccc(OC(C)C)c(OC)c2)cc1-c1nn[n-]n1 ZINC000826178654 607971857 /nfs/dbraw/zinc/97/18/57/607971857.db2.gz HBEKBLZKBNWUBO-UHFFFAOYSA-N -1 3 397.435 3.222 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000823914328 607979273 /nfs/dbraw/zinc/97/92/73/607979273.db2.gz GEFMXLKEWIEKMF-UHFFFAOYSA-N -1 3 391.479 3.466 20 30 GGEDHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1C1CC1 ZINC000825081852 608028047 /nfs/dbraw/zinc/02/80/47/608028047.db2.gz NWHBEPQXQYXZCB-NSHDSACASA-N -1 3 376.424 3.036 20 30 GGEDHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1C1CC1 ZINC000825081852 608028048 /nfs/dbraw/zinc/02/80/48/608028048.db2.gz NWHBEPQXQYXZCB-NSHDSACASA-N -1 3 376.424 3.036 20 30 GGEDHM C[C@H](CC#N)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824384536 608060226 /nfs/dbraw/zinc/06/02/26/608060226.db2.gz CZWAPYZRTOOBQD-LLVKDONJSA-N -1 3 382.811 3.344 20 30 GGEDHM C[C@H](CC#N)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824384536 608060227 /nfs/dbraw/zinc/06/02/27/608060227.db2.gz CZWAPYZRTOOBQD-LLVKDONJSA-N -1 3 382.811 3.344 20 30 GGEDHM COC[C@H](C#N)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826147524 608146973 /nfs/dbraw/zinc/14/69/73/608146973.db2.gz ACLSTWPQDOWMKZ-ZDUSSCGKSA-N -1 3 399.794 3.008 20 30 GGEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826341086 608184614 /nfs/dbraw/zinc/18/46/14/608184614.db2.gz VYZPBBLSUNSEBW-LBPRGKRZSA-N -1 3 388.387 3.349 20 30 GGEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826341086 608184615 /nfs/dbraw/zinc/18/46/15/608184615.db2.gz VYZPBBLSUNSEBW-LBPRGKRZSA-N -1 3 388.387 3.349 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824713655 608184662 /nfs/dbraw/zinc/18/46/62/608184662.db2.gz JNSOAVFCFWJLJJ-AUUYWEPGSA-N -1 3 391.431 3.446 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824713655 608184663 /nfs/dbraw/zinc/18/46/63/608184663.db2.gz JNSOAVFCFWJLJJ-AUUYWEPGSA-N -1 3 391.431 3.446 20 30 GGEDHM N#Cc1ccsc1NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826387629 608206237 /nfs/dbraw/zinc/20/62/37/608206237.db2.gz HJCXPLWQUGVLRI-UHFFFAOYSA-N -1 3 376.854 3.184 20 30 GGEDHM N#Cc1ccsc1NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826387629 608206239 /nfs/dbraw/zinc/20/62/39/608206239.db2.gz HJCXPLWQUGVLRI-UHFFFAOYSA-N -1 3 376.854 3.184 20 30 GGEDHM N#CCc1ccc(NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826382462 608207884 /nfs/dbraw/zinc/20/78/84/608207884.db2.gz FUOBUZWQFHGYBU-UHFFFAOYSA-N -1 3 384.852 3.317 20 30 GGEDHM N#CCc1ccc(NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826382462 608207885 /nfs/dbraw/zinc/20/78/85/608207885.db2.gz FUOBUZWQFHGYBU-UHFFFAOYSA-N -1 3 384.852 3.317 20 30 GGEDHM C=CCN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000823903955 608250206 /nfs/dbraw/zinc/25/02/06/608250206.db2.gz OSYODIXDCRHXBI-UHFFFAOYSA-N -1 3 375.432 3.236 20 30 GGEDHM C=CCN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000823903955 608250208 /nfs/dbraw/zinc/25/02/08/608250208.db2.gz OSYODIXDCRHXBI-UHFFFAOYSA-N -1 3 375.432 3.236 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(CC(C)C)c1C ZINC000823914830 608310183 /nfs/dbraw/zinc/31/01/83/608310183.db2.gz OEUUPZPDDVULEE-UHFFFAOYSA-N -1 3 394.483 3.248 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(CC(C)C)c1C ZINC000823914830 608310184 /nfs/dbraw/zinc/31/01/84/608310184.db2.gz OEUUPZPDDVULEE-UHFFFAOYSA-N -1 3 394.483 3.248 20 30 GGEDHM O=C1c2ccc(Br)cc2OCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475805 608387527 /nfs/dbraw/zinc/38/75/27/608387527.db2.gz RDVKCEFEKZZSOR-XFFZJAGNSA-N -1 3 383.205 3.288 20 30 GGEDHM O=C1c2ccc(Br)cc2OCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475805 608387529 /nfs/dbraw/zinc/38/75/29/608387529.db2.gz RDVKCEFEKZZSOR-XFFZJAGNSA-N -1 3 383.205 3.288 20 30 GGEDHM C[C@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(C#N)cc1 ZINC000824489388 608395853 /nfs/dbraw/zinc/39/58/53/608395853.db2.gz KKLRGSOGNSBAKL-HNNXBMFYSA-N -1 3 399.458 3.298 20 30 GGEDHM C[C@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(C#N)cc1 ZINC000824489388 608395854 /nfs/dbraw/zinc/39/58/54/608395854.db2.gz KKLRGSOGNSBAKL-HNNXBMFYSA-N -1 3 399.458 3.298 20 30 GGEDHM N#Cc1ccc(C2=CCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)CC2)cc1 ZINC000826384558 608442228 /nfs/dbraw/zinc/44/22/28/608442228.db2.gz AGRYKVPMGHGXCY-UHFFFAOYSA-N -1 3 383.459 3.306 20 30 GGEDHM N#Cc1ccc(C2=CCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)CC2)cc1 ZINC000826384558 608442230 /nfs/dbraw/zinc/44/22/30/608442230.db2.gz AGRYKVPMGHGXCY-UHFFFAOYSA-N -1 3 383.459 3.306 20 30 GGEDHM N#Cc1ccc(C2=CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000826385091 608480565 /nfs/dbraw/zinc/48/05/65/608480565.db2.gz WWYVWIGHZTXZQI-KTKRTIGZSA-N -1 3 382.427 3.067 20 30 GGEDHM N#Cc1ccc(C2=CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000826385091 608480566 /nfs/dbraw/zinc/48/05/66/608480566.db2.gz WWYVWIGHZTXZQI-KTKRTIGZSA-N -1 3 382.427 3.067 20 30 GGEDHM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824391065 608750736 /nfs/dbraw/zinc/75/07/36/608750736.db2.gz GTMBFWJVZZAZGM-VIFPVBQESA-N -1 3 394.867 3.006 20 30 GGEDHM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824391065 608750739 /nfs/dbraw/zinc/75/07/39/608750739.db2.gz GTMBFWJVZZAZGM-VIFPVBQESA-N -1 3 394.867 3.006 20 30 GGEDHM C=CCOc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000823932121 608849441 /nfs/dbraw/zinc/84/94/41/608849441.db2.gz PDSSOBRZWLQALZ-FQEVSTJZSA-N -1 3 377.448 3.005 20 30 GGEDHM C=CCOc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000823932122 608849666 /nfs/dbraw/zinc/84/96/66/608849666.db2.gz PDSSOBRZWLQALZ-HXUWFJFHSA-N -1 3 377.448 3.005 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(F)c(C#N)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826233935 608879619 /nfs/dbraw/zinc/87/96/19/608879619.db2.gz ALVCKBUMUYUDHU-YCRREMRBSA-N -1 3 399.389 3.268 20 30 GGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ncc(Br)s1 ZINC000826401482 608884591 /nfs/dbraw/zinc/88/45/91/608884591.db2.gz ZYBWIZJOCWCJKZ-DUXPYHPUSA-N -1 3 380.202 3.121 20 30 GGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ncc(Br)s1 ZINC000826401482 608884594 /nfs/dbraw/zinc/88/45/94/608884594.db2.gz ZYBWIZJOCWCJKZ-DUXPYHPUSA-N -1 3 380.202 3.121 20 30 GGEDHM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)c1)O[C@H](C)C2 ZINC000826178658 609134364 /nfs/dbraw/zinc/13/43/64/609134364.db2.gz HCEOXWJSRNEDIQ-VLWUPBBWSA-N -1 3 380.379 3.234 20 30 GGEDHM COc1cc2c(c(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)c1)O[C@H](C)C2 ZINC000826178658 609134365 /nfs/dbraw/zinc/13/43/65/609134365.db2.gz HCEOXWJSRNEDIQ-VLWUPBBWSA-N -1 3 380.379 3.234 20 30 GGEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000825626426 609156293 /nfs/dbraw/zinc/15/62/93/609156293.db2.gz LVGCVSBNTLTNHQ-GFCCVEGCSA-N -1 3 393.407 3.200 20 30 GGEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000825626426 609156294 /nfs/dbraw/zinc/15/62/94/609156294.db2.gz LVGCVSBNTLTNHQ-GFCCVEGCSA-N -1 3 393.407 3.200 20 30 GGEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000826167922 609156576 /nfs/dbraw/zinc/15/65/76/609156576.db2.gz VZMORNVGWVYCQK-UHFFFAOYSA-N -1 3 395.806 3.303 20 30 GGEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000826167922 609156577 /nfs/dbraw/zinc/15/65/77/609156577.db2.gz VZMORNVGWVYCQK-UHFFFAOYSA-N -1 3 395.806 3.303 20 30 GGEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824035063 609159243 /nfs/dbraw/zinc/15/92/43/609159243.db2.gz SKSKWRYOPCCRTJ-JTQLQIEISA-N -1 3 383.799 3.455 20 30 GGEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824035063 609159246 /nfs/dbraw/zinc/15/92/46/609159246.db2.gz SKSKWRYOPCCRTJ-JTQLQIEISA-N -1 3 383.799 3.455 20 30 GGEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccccc1CC#N ZINC000824255458 609163799 /nfs/dbraw/zinc/16/37/99/609163799.db2.gz KLWZJAGFZWSEPA-UHFFFAOYSA-N -1 3 388.475 3.160 20 30 GGEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccccc1CC#N ZINC000824255458 609163801 /nfs/dbraw/zinc/16/38/01/609163801.db2.gz KLWZJAGFZWSEPA-UHFFFAOYSA-N -1 3 388.475 3.160 20 30 GGEDHM N#Cc1cccc(-c2c[nH]c(CNc3nc4ccccc4cc3-c3nnn[n-]3)n2)c1 ZINC000826386701 609166891 /nfs/dbraw/zinc/16/68/91/609166891.db2.gz PDPQRZUISWLMCQ-UHFFFAOYSA-N -1 3 393.414 3.289 20 30 GGEDHM N#Cc1cccc(-c2c[nH]c(CNc3nc4ccccc4cc3-c3nn[n-]n3)n2)c1 ZINC000826386701 609166893 /nfs/dbraw/zinc/16/68/93/609166893.db2.gz PDPQRZUISWLMCQ-UHFFFAOYSA-N -1 3 393.414 3.289 20 30 GGEDHM N#Cc1cc(Cl)ccc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826383909 609167158 /nfs/dbraw/zinc/16/71/58/609167158.db2.gz WYYSMIAYGWPNLQ-UHFFFAOYSA-N -1 3 376.811 3.394 20 30 GGEDHM N#Cc1cc(Cl)ccc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826383909 609167159 /nfs/dbraw/zinc/16/71/59/609167159.db2.gz WYYSMIAYGWPNLQ-UHFFFAOYSA-N -1 3 376.811 3.394 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000823932454 609269213 /nfs/dbraw/zinc/26/92/13/609269213.db2.gz ZJGOEVNPKZHQJG-XBXARRHUSA-N -1 3 380.379 3.475 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000823932454 609269214 /nfs/dbraw/zinc/26/92/14/609269214.db2.gz ZJGOEVNPKZHQJG-XBXARRHUSA-N -1 3 380.379 3.475 20 30 GGEDHM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403185 609272987 /nfs/dbraw/zinc/27/29/87/609272987.db2.gz LUBJMARDVGLQIB-ALCCZGGFSA-N -1 3 378.392 3.420 20 30 GGEDHM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403185 609272988 /nfs/dbraw/zinc/27/29/88/609272988.db2.gz LUBJMARDVGLQIB-ALCCZGGFSA-N -1 3 378.392 3.420 20 30 GGEDHM Cn1cc(C=NNCc2ccc(Cl)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359350 609306692 /nfs/dbraw/zinc/30/66/92/609306692.db2.gz DJGVGDQLFWXGLK-UHFFFAOYSA-N -1 3 392.854 3.044 20 30 GGEDHM Cn1cc(C=NNCc2ccc(Cl)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359350 609306693 /nfs/dbraw/zinc/30/66/93/609306693.db2.gz DJGVGDQLFWXGLK-UHFFFAOYSA-N -1 3 392.854 3.044 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccc(C#N)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359963 609308678 /nfs/dbraw/zinc/30/86/78/609308678.db2.gz UFYVZILAIPTNGR-ZHACJKMWSA-N -1 3 381.399 3.035 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccc(C#N)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359963 609308680 /nfs/dbraw/zinc/30/86/80/609308680.db2.gz UFYVZILAIPTNGR-ZHACJKMWSA-N -1 3 381.399 3.035 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccc3c(c2)COC3)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359618 609309633 /nfs/dbraw/zinc/30/96/33/609309633.db2.gz MBJXCYFQSJIVNQ-CMDGGOBGSA-N -1 3 398.426 3.194 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccc3c(c2)COC3)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359618 609309634 /nfs/dbraw/zinc/30/96/34/609309634.db2.gz MBJXCYFQSJIVNQ-CMDGGOBGSA-N -1 3 398.426 3.194 20 30 GGEDHM Cc1cccc2c1CC(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826305068 609309660 /nfs/dbraw/zinc/30/96/60/609309660.db2.gz JKRJXIZZSUIUJB-MHWRWJLKSA-N -1 3 382.427 3.398 20 30 GGEDHM Cc1cccc2c1CC(=Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000826305068 609309661 /nfs/dbraw/zinc/30/96/61/609309661.db2.gz JKRJXIZZSUIUJB-MHWRWJLKSA-N -1 3 382.427 3.398 20 30 GGEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824229672 609331659 /nfs/dbraw/zinc/33/16/59/609331659.db2.gz ULOVSHRXUPYYJS-AWEZNQCLSA-N -1 3 376.420 3.327 20 30 GGEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824229672 609331661 /nfs/dbraw/zinc/33/16/61/609331661.db2.gz ULOVSHRXUPYYJS-AWEZNQCLSA-N -1 3 376.420 3.327 20 30 GGEDHM CN(Cc1cccc(C#N)c1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825976555 609356428 /nfs/dbraw/zinc/35/64/28/609356428.db2.gz LFTHFVYXNAJNIL-UHFFFAOYSA-N -1 3 383.253 3.133 20 30 GGEDHM CN(Cc1cccc(C#N)c1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825976555 609356433 /nfs/dbraw/zinc/35/64/33/609356433.db2.gz LFTHFVYXNAJNIL-UHFFFAOYSA-N -1 3 383.253 3.133 20 30 GGEDHM CC(C)(C#N)CNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000824058838 609429597 /nfs/dbraw/zinc/42/95/97/609429597.db2.gz DZMVEXYMNQRNSS-UHFFFAOYSA-N -1 3 392.488 3.439 20 30 GGEDHM CC(C)(C#N)CNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000824058838 609429599 /nfs/dbraw/zinc/42/95/99/609429599.db2.gz DZMVEXYMNQRNSS-UHFFFAOYSA-N -1 3 392.488 3.439 20 30 GGEDHM N#Cc1cc(Cl)ccc1-n1ccc(NCc2ccccc2-c2nnn[n-]2)n1 ZINC000826383666 609447335 /nfs/dbraw/zinc/44/73/35/609447335.db2.gz LAVQMQLAROFLKZ-UHFFFAOYSA-N -1 3 376.811 3.190 20 30 GGEDHM N#Cc1cc(Cl)ccc1-n1ccc(NCc2ccccc2-c2nn[n-]n2)n1 ZINC000826383666 609447337 /nfs/dbraw/zinc/44/73/37/609447337.db2.gz LAVQMQLAROFLKZ-UHFFFAOYSA-N -1 3 376.811 3.190 20 30 GGEDHM N#Cc1ccccc1CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826387138 609447341 /nfs/dbraw/zinc/44/73/41/609447341.db2.gz HYGZKEDXLMHOKY-UHFFFAOYSA-N -1 3 376.811 3.190 20 30 GGEDHM N#Cc1ccccc1CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826387138 609447343 /nfs/dbraw/zinc/44/73/43/609447343.db2.gz HYGZKEDXLMHOKY-UHFFFAOYSA-N -1 3 376.811 3.190 20 30 GGEDHM N#Cc1cc(Cl)ccc1-n1ccc(NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826383762 609447754 /nfs/dbraw/zinc/44/77/54/609447754.db2.gz PAIAPTYDBWMQPC-UHFFFAOYSA-N -1 3 376.811 3.190 20 30 GGEDHM N#Cc1cc(Cl)ccc1-n1ccc(NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826383762 609447756 /nfs/dbraw/zinc/44/77/56/609447756.db2.gz PAIAPTYDBWMQPC-UHFFFAOYSA-N -1 3 376.811 3.190 20 30 GGEDHM CC(C)(C)Sc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccn1 ZINC000824123210 609464214 /nfs/dbraw/zinc/46/42/14/609464214.db2.gz AAFHGQUAFVFAFD-UHFFFAOYSA-N -1 3 379.449 3.276 20 30 GGEDHM CC(C)(C)Sc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccn1 ZINC000824123210 609464215 /nfs/dbraw/zinc/46/42/15/609464215.db2.gz AAFHGQUAFVFAFD-UHFFFAOYSA-N -1 3 379.449 3.276 20 30 GGEDHM Clc1cc(NN=Cc2cnc([C@@H]3CCCO3)s2)ccc1-c1nnn[n-]1 ZINC000826351352 609471668 /nfs/dbraw/zinc/47/16/68/609471668.db2.gz JHSDGTHIKOWFBQ-ZDUSSCGKSA-N -1 3 375.845 3.274 20 30 GGEDHM Clc1cc(NN=Cc2cnc([C@@H]3CCCO3)s2)ccc1-c1nn[n-]n1 ZINC000826351352 609471670 /nfs/dbraw/zinc/47/16/70/609471670.db2.gz JHSDGTHIKOWFBQ-ZDUSSCGKSA-N -1 3 375.845 3.274 20 30 GGEDHM Cn1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(-c2cccs2)n1 ZINC000826360673 609474752 /nfs/dbraw/zinc/47/47/52/609474752.db2.gz UALJJAWPSCXDBG-UHFFFAOYSA-N -1 3 384.856 3.428 20 30 GGEDHM Cn1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(-c2cccs2)n1 ZINC000826360673 609474753 /nfs/dbraw/zinc/47/47/53/609474753.db2.gz UALJJAWPSCXDBG-UHFFFAOYSA-N -1 3 384.856 3.428 20 30 GGEDHM Cc1ccc(Cl)c2c1NC(=O)C2=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826289313 609476374 /nfs/dbraw/zinc/47/63/74/609476374.db2.gz VCRRAPWPQZKXQL-UHFFFAOYSA-N -1 3 388.218 3.250 20 30 GGEDHM Cc1ccc(Cl)c2c1NC(=O)C2=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826289313 609476377 /nfs/dbraw/zinc/47/63/77/609476377.db2.gz VCRRAPWPQZKXQL-UHFFFAOYSA-N -1 3 388.218 3.250 20 30 GGEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N(C)CCC#N)cc1 ZINC000825632490 609477175 /nfs/dbraw/zinc/47/71/75/609477175.db2.gz UYBDWONZAMHMRC-UHFFFAOYSA-N -1 3 377.452 3.227 20 30 GGEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N(C)CCC#N)cc1 ZINC000825632490 609477177 /nfs/dbraw/zinc/47/71/77/609477177.db2.gz UYBDWONZAMHMRC-UHFFFAOYSA-N -1 3 377.452 3.227 20 30 GGEDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC)c(OCCCC#N)c1 ZINC000826186657 609483406 /nfs/dbraw/zinc/48/34/06/609483406.db2.gz FTBFQUKIXNQZON-UHFFFAOYSA-N -1 3 394.435 3.179 20 30 GGEDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC)c(OCCCC#N)c1 ZINC000826186657 609483408 /nfs/dbraw/zinc/48/34/08/609483408.db2.gz FTBFQUKIXNQZON-UHFFFAOYSA-N -1 3 394.435 3.179 20 30 GGEDHM Cc1c(Cl)cnc(NC2CCN(c3ccccc3C#N)CC2)c1-c1nnn[n-]1 ZINC000826238686 609570107 /nfs/dbraw/zinc/57/01/07/609570107.db2.gz MSVZKAJPBGKNDF-UHFFFAOYSA-N -1 3 394.870 3.176 20 30 GGEDHM Cc1c(Cl)cnc(NC2CCN(c3ccccc3C#N)CC2)c1-c1nn[n-]n1 ZINC000826238686 609570112 /nfs/dbraw/zinc/57/01/12/609570112.db2.gz MSVZKAJPBGKNDF-UHFFFAOYSA-N -1 3 394.870 3.176 20 30 GGEDHM Cc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260853 609591925 /nfs/dbraw/zinc/59/19/25/609591925.db2.gz HJKOPIVKQCQQKI-AWEZNQCLSA-N -1 3 399.414 3.151 20 30 GGEDHM Cc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260853 609591928 /nfs/dbraw/zinc/59/19/28/609591928.db2.gz HJKOPIVKQCQQKI-AWEZNQCLSA-N -1 3 399.414 3.151 20 30 GGEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000824034369 609602080 /nfs/dbraw/zinc/60/20/80/609602080.db2.gz IUWQRZOUBSLCCG-GFCCVEGCSA-N -1 3 394.439 3.358 20 30 GGEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000824034369 609602083 /nfs/dbraw/zinc/60/20/83/609602083.db2.gz IUWQRZOUBSLCCG-GFCCVEGCSA-N -1 3 394.439 3.358 20 30 GGEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000824034370 609602341 /nfs/dbraw/zinc/60/23/41/609602341.db2.gz IUWQRZOUBSLCCG-LBPRGKRZSA-N -1 3 394.439 3.358 20 30 GGEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000824034370 609602342 /nfs/dbraw/zinc/60/23/42/609602342.db2.gz IUWQRZOUBSLCCG-LBPRGKRZSA-N -1 3 394.439 3.358 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccccc1C(F)(F)F ZINC000054197038 1406648189 /nfs/dbraw/zinc/64/81/89/1406648189.db2.gz NOCZYXFODGNPRJ-UHFFFAOYSA-N -1 3 391.393 3.174 20 30 GGEDHM Cc1ncc(CO)c(/C=N/c2cccc(-c3nnc4n3CCCCC4)c2)c1[O-] ZINC000005110751 1398415231 /nfs/dbraw/zinc/41/52/31/1398415231.db2.gz IVIWMBZGAUDDKI-FSJBWODESA-N -1 3 377.448 3.323 20 30 GGEDHM CCN(CC)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000006143696 1398535180 /nfs/dbraw/zinc/53/51/80/1398535180.db2.gz SDVRILWDQMJTSW-MRXNPFEDSA-N -1 3 396.472 3.083 20 30 GGEDHM Cc1cc(C)c(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000007673903 1398726004 /nfs/dbraw/zinc/72/60/04/1398726004.db2.gz KTYRQWSCWWMHAI-UHFFFAOYSA-N -1 3 380.444 3.147 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000007674151 1398726157 /nfs/dbraw/zinc/72/61/57/1398726157.db2.gz DMCOBUKMCGWMBX-CYBMUJFWSA-N -1 3 386.835 3.264 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000055485909 1406979667 /nfs/dbraw/zinc/97/96/67/1406979667.db2.gz LRHDHCGYJYMFIO-IBGZPJMESA-N -1 3 377.488 3.420 20 30 GGEDHM C=CCOC(=O)c1sc2[n-]c(-c3cnn(-c4ccccc4)c3)nc(=O)c2c1C ZINC000055502864 1406984222 /nfs/dbraw/zinc/98/42/22/1406984222.db2.gz LBPJVJLGMAJSNZ-UHFFFAOYSA-N -1 3 392.440 3.489 20 30 GGEDHM C=CCOC(=O)c1sc2[n-]c(CC(=O)c3ccc(F)cc3)nc(=O)c2c1C ZINC000055502913 1406984239 /nfs/dbraw/zinc/98/42/39/1406984239.db2.gz VCCCGNBQFZEVKA-UHFFFAOYSA-N -1 3 386.404 3.200 20 30 GGEDHM CCN(CC)c1ccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000009932512 1398871131 /nfs/dbraw/zinc/87/11/31/1398871131.db2.gz GDRBLEQGOHYKRT-UHFFFAOYSA-N -1 3 394.519 3.301 20 30 GGEDHM COc1ccc(Cl)cc1CN(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000010279497 1398884356 /nfs/dbraw/zinc/88/43/56/1398884356.db2.gz VHSVXSCSCXGLRC-UHFFFAOYSA-N -1 3 387.867 3.117 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000015511485 1399168505 /nfs/dbraw/zinc/16/85/05/1399168505.db2.gz CFLNAXLOKGTIEQ-UHFFFAOYSA-N -1 3 377.488 3.277 20 30 GGEDHM COc1ccc([C@@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000015535047 1399169632 /nfs/dbraw/zinc/16/96/32/1399169632.db2.gz HJTCEADQWDDCIY-FQEVSTJZSA-N -1 3 379.460 3.168 20 30 GGEDHM C=C(C)CNC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000016155579 1399216414 /nfs/dbraw/zinc/21/64/14/1399216414.db2.gz AWNBFHVFRRZANS-UHFFFAOYSA-N -1 3 379.482 3.489 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ncc(-c2ccc(F)cc2)o1 ZINC000017978919 1399296180 /nfs/dbraw/zinc/29/61/80/1399296180.db2.gz JJAJRWVOGWKRMT-UHFFFAOYSA-N -1 3 395.390 3.334 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000018341210 1399312604 /nfs/dbraw/zinc/31/26/04/1399312604.db2.gz UQMSISTXHBTZJJ-ZDUSSCGKSA-N -1 3 386.835 3.264 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(-c2cccs2)on1 ZINC000018961292 1399323871 /nfs/dbraw/zinc/32/38/71/1399323871.db2.gz IWEFGBJXYBFNPY-UHFFFAOYSA-N -1 3 383.429 3.256 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000020010861 1399340510 /nfs/dbraw/zinc/34/05/10/1399340510.db2.gz SCTLFKFVFUFCAJ-UHFFFAOYSA-N -1 3 391.393 3.174 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000055777517 1407081367 /nfs/dbraw/zinc/08/13/67/1407081367.db2.gz KYFIQBUWHPDTML-UHFFFAOYSA-N -1 3 382.439 3.174 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(SC)cc2)ccc1F ZINC000029009056 1400224754 /nfs/dbraw/zinc/22/47/54/1400224754.db2.gz FERQEFBEHHWIOL-UHFFFAOYSA-N -1 3 380.466 3.264 20 30 GGEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000029329303 1400283434 /nfs/dbraw/zinc/28/34/34/1400283434.db2.gz LRDOUDAISHHSHF-UHFFFAOYSA-N -1 3 375.450 3.194 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(OCC(C)C)cc1 ZINC000055849428 1407102923 /nfs/dbraw/zinc/10/29/23/1407102923.db2.gz VNURKVPEXGUWAD-UHFFFAOYSA-N -1 3 381.476 3.147 20 30 GGEDHM C=CCOc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000056337603 1407302936 /nfs/dbraw/zinc/30/29/36/1407302936.db2.gz AGUXFIYBWMBBOL-UHFFFAOYSA-N -1 3 392.452 3.330 20 30 GGEDHM CN(C)S(=O)(=O)c1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000044010991 1403859644 /nfs/dbraw/zinc/85/96/44/1403859644.db2.gz FLZAYYYGQHBQHE-WOJGMQOQSA-N -1 3 397.294 3.024 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000044693861 1403985548 /nfs/dbraw/zinc/98/55/48/1403985548.db2.gz GCDWHCDFAHLQEU-INIZCTEOSA-N -1 3 381.476 3.461 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2SC)ccc1F ZINC000045280550 1404090741 /nfs/dbraw/zinc/09/07/41/1404090741.db2.gz MEEKKVJSERSEDF-UHFFFAOYSA-N -1 3 380.466 3.264 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cccc(Cl)c2)ccc1F ZINC000045301961 1404094725 /nfs/dbraw/zinc/09/47/25/1404094725.db2.gz ITQBIGCHEMBXJJ-UHFFFAOYSA-N -1 3 396.871 3.216 20 30 GGEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000045500039 1404134050 /nfs/dbraw/zinc/13/40/50/1404134050.db2.gz QCRWVJLVQBPGDF-INIZCTEOSA-N -1 3 376.460 3.277 20 30 GGEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](C)c1cccc(OC)c1 ZINC000045507942 1404134968 /nfs/dbraw/zinc/13/49/68/1404134968.db2.gz ZBZGEZXQYJNQPE-MRXNPFEDSA-N -1 3 381.476 3.414 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)c2cccc(F)c2)ccc1F ZINC000045516017 1404136404 /nfs/dbraw/zinc/13/64/04/1404136404.db2.gz HTQAXNLOFYHHRX-UHFFFAOYSA-N -1 3 380.416 3.096 20 30 GGEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C[C@H](C)C#N)c2)cc1 ZINC000045851090 1404224142 /nfs/dbraw/zinc/22/41/42/1404224142.db2.gz IJDHZXVNANJVEH-OAHLLOKOSA-N -1 3 385.489 3.336 20 30 GGEDHM Cc1ccc(OCCCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000046104690 1404296754 /nfs/dbraw/zinc/29/67/54/1404296754.db2.gz JSHMBTOCSADNGE-UHFFFAOYSA-N -1 3 381.476 3.080 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000046538848 1404469255 /nfs/dbraw/zinc/46/92/55/1404469255.db2.gz INQDUNKISQZMDV-QFIPXVFZSA-N -1 3 386.455 3.097 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000046777812 1404586054 /nfs/dbraw/zinc/58/60/54/1404586054.db2.gz IQMKPAGFZCOVCP-UHFFFAOYSA-N -1 3 395.850 3.274 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1OC1CCCC1 ZINC000046782374 1404587206 /nfs/dbraw/zinc/58/72/06/1404587206.db2.gz JLYAKZFPGATMBR-UHFFFAOYSA-N -1 3 393.487 3.434 20 30 GGEDHM CC[C@@H]1CCc2nc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)sc2C1 ZINC000046784864 1404588100 /nfs/dbraw/zinc/58/81/00/1404588100.db2.gz RCCQKQGFVSTBFL-CYBMUJFWSA-N -1 3 384.505 3.406 20 30 GGEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)sc2nc3n(c(=O)c12)CCC3 ZINC000047359342 1404815614 /nfs/dbraw/zinc/81/56/14/1404815614.db2.gz DBKIENDQVQEKRI-LLVKDONJSA-N -1 3 389.440 3.079 20 30 GGEDHM C[C@H]([N-]C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1F ZINC000048832108 1405301692 /nfs/dbraw/zinc/30/16/92/1405301692.db2.gz NTKMRNINLWFDCP-YFKPBYRVSA-N -1 3 394.246 3.476 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000049764439 1405409407 /nfs/dbraw/zinc/40/94/07/1405409407.db2.gz RLTBXDNEOLCXOW-FQEVSTJZSA-N -1 3 378.476 3.335 20 30 GGEDHM Cc1nnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(C#N)c1C ZINC000052427764 1406047533 /nfs/dbraw/zinc/04/75/33/1406047533.db2.gz CMHNPANXZOYOQY-UHFFFAOYSA-N -1 3 385.855 3.179 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000057816999 1407726559 /nfs/dbraw/zinc/72/65/59/1407726559.db2.gz DVWVLAVJLBNAEL-HXUWFJFHSA-N -1 3 380.492 3.278 20 30 GGEDHM COc1cc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1SC ZINC000058772353 1407878615 /nfs/dbraw/zinc/87/86/15/1407878615.db2.gz MRHMWXNMMRFZPX-UHFFFAOYSA-N -1 3 399.516 3.185 20 30 GGEDHM Cc1c(C(=O)NCC#N)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000060336399 1407954698 /nfs/dbraw/zinc/95/46/98/1407954698.db2.gz CIMMNSBXMFAVHL-UHFFFAOYSA-N -1 3 398.513 3.456 20 30 GGEDHM O=C1Nc2ccc(-c3ccccc3)cc2/C1=N\[N-]S(=O)(=O)Cc1ccccc1 ZINC000063426161 1408352229 /nfs/dbraw/zinc/35/22/29/1408352229.db2.gz MTDVYQANDISEBR-UHFFFAOYSA-N -1 3 391.452 3.129 20 30 GGEDHM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1(C#N)CCC1 ZINC000067684013 1409206341 /nfs/dbraw/zinc/20/63/41/1409206341.db2.gz MSZUJDUZTALBCH-UHFFFAOYSA-N -1 3 387.436 3.145 20 30 GGEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3nccc3C)cc2)n1 ZINC000067895596 1409250780 /nfs/dbraw/zinc/25/07/80/1409250780.db2.gz DIAWBZBKZYLXGW-HNNXBMFYSA-N -1 3 380.429 3.304 20 30 GGEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3cc(C)cn3)cc2)n1 ZINC000067897572 1409251526 /nfs/dbraw/zinc/25/15/26/1409251526.db2.gz DENKUBYRNBQWLF-HNNXBMFYSA-N -1 3 380.429 3.304 20 30 GGEDHM O=C(COc1ccccc1OCC(F)(F)F)Nc1nnc(C(F)(F)F)[n-]1 ZINC000067910081 1409253629 /nfs/dbraw/zinc/25/36/29/1409253629.db2.gz BSYFBJNKBOJLBC-UHFFFAOYSA-N -1 3 384.236 3.432 20 30 GGEDHM O=C(COc1ccccc1OCC(F)(F)F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000067910081 1409253635 /nfs/dbraw/zinc/25/36/35/1409253635.db2.gz BSYFBJNKBOJLBC-UHFFFAOYSA-N -1 3 384.236 3.432 20 30 GGEDHM COc1ccccc1[C@@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000068811413 1409497176 /nfs/dbraw/zinc/49/71/76/1409497176.db2.gz UUIJTBGAADVIHZ-IBGZPJMESA-N -1 3 379.460 3.168 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(OCC(C)C)cc1 ZINC000078608701 1409929282 /nfs/dbraw/zinc/92/92/82/1409929282.db2.gz UBHYUIWUOMXBOF-UHFFFAOYSA-N -1 3 395.503 3.190 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000079294331 1409964983 /nfs/dbraw/zinc/96/49/83/1409964983.db2.gz FTDWWMQZTMCZQN-INIZCTEOSA-N -1 3 399.516 3.065 20 30 GGEDHM N#CCCCOc1cccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000091923622 1410093153 /nfs/dbraw/zinc/09/31/53/1410093153.db2.gz RBQQLZONBSMJTK-UHFFFAOYSA-N -1 3 379.460 3.033 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2cccc(SC)c2)ccc1F ZINC000101833973 1410507555 /nfs/dbraw/zinc/50/75/55/1410507555.db2.gz ZOYHYRWQBXTKER-UHFFFAOYSA-N -1 3 394.493 3.289 20 30 GGEDHM C#Cc1cccc(N(CC)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)c1 ZINC000103146054 1410831936 /nfs/dbraw/zinc/83/19/36/1410831936.db2.gz HTHIYYCZSRSJSG-UHFFFAOYSA-N -1 3 381.457 3.087 20 30 GGEDHM CCCN(CCC)C(=O)c1cccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1 ZINC000103330872 1410849505 /nfs/dbraw/zinc/84/95/05/1410849505.db2.gz HQQXGENWCSKJBB-SFHVURJKSA-N -1 3 392.459 3.305 20 30 GGEDHM C[C@H](CC#N)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000103443249 1410856993 /nfs/dbraw/zinc/85/69/93/1410856993.db2.gz ZSXIXVXEUXWULD-CYBMUJFWSA-N -1 3 375.425 3.001 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nnn1-c1ccccc1Cl ZINC000103638437 1410870525 /nfs/dbraw/zinc/87/05/25/1410870525.db2.gz AOBDUQMHMXWWJX-OAHLLOKOSA-N -1 3 393.834 3.499 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000104895905 1410991889 /nfs/dbraw/zinc/99/18/89/1410991889.db2.gz DQGCAXNGMFKXAT-UHFFFAOYSA-N -1 3 380.473 3.247 20 30 GGEDHM C=CCOC(=O)c1sc2[n-]c(CC(=O)c3ccc(C)s3)nc(=O)c2c1C ZINC000105653895 1411095245 /nfs/dbraw/zinc/09/52/45/1411095245.db2.gz HAQWMRDILIOBGI-UHFFFAOYSA-N -1 3 388.470 3.431 20 30 GGEDHM Cc1ccc(-n2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c3c2CCC3)c(C)c1 ZINC000106985697 1411333761 /nfs/dbraw/zinc/33/37/61/1411333761.db2.gz QIMUDPAPGFQCNR-KRWDZBQOSA-N -1 3 399.454 3.334 20 30 GGEDHM CCc1ccc(-n2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c3c2CCC3)cc1 ZINC000107877672 1411426026 /nfs/dbraw/zinc/42/60/26/1411426026.db2.gz ZUCNTVSVPPLASI-SFHVURJKSA-N -1 3 399.454 3.280 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1ccc2ncccc2c1 ZINC000109038652 1411668320 /nfs/dbraw/zinc/66/83/20/1411668320.db2.gz HPMCEUCBKJELDE-SFHVURJKSA-N -1 3 396.410 3.085 20 30 GGEDHM Cc1c([O-])ccc2c(CN3CCN(c4ccc(C#N)cc4F)CC3)cc(=O)oc12 ZINC000110303214 1411843412 /nfs/dbraw/zinc/84/34/12/1411843412.db2.gz YESKFXVENJUJLQ-UHFFFAOYSA-N -1 3 393.418 3.140 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCCCOC1CCCCC1 ZINC000110564310 1411857667 /nfs/dbraw/zinc/85/76/67/1411857667.db2.gz JIVYPEOHFZQTCF-UHFFFAOYSA-N -1 3 387.524 3.432 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)c2cccs2)ccc1F ZINC000114305640 1412407776 /nfs/dbraw/zinc/40/77/76/1412407776.db2.gz AWJLPEFONARLIM-UHFFFAOYSA-N -1 3 396.509 3.059 20 30 GGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2sc(-c3cnn(C)c3)nc2C)cc1 ZINC000115904162 1412813793 /nfs/dbraw/zinc/81/37/93/1412813793.db2.gz GTNDLLKGTZCASX-INIZCTEOSA-N -1 3 393.472 3.376 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000116465280 1412865191 /nfs/dbraw/zinc/86/51/91/1412865191.db2.gz FFNBXTMVILVRKG-UHFFFAOYSA-N -1 3 393.487 3.434 20 30 GGEDHM COc1ccc2c(c1)CCC[C@H]2CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000119055555 1413319052 /nfs/dbraw/zinc/31/90/52/1413319052.db2.gz WYEDRSSSUGBCAM-KRWDZBQOSA-N -1 3 393.487 3.041 20 30 GGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000119593275 1413497426 /nfs/dbraw/zinc/49/74/26/1413497426.db2.gz INFXHAIQMPEUPU-QGZVFWFLSA-N -1 3 389.371 3.050 20 30 GGEDHM CCc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1Cl ZINC000119771767 1413563429 /nfs/dbraw/zinc/56/34/29/1413563429.db2.gz HXYZIMCOGSRWIS-CQSZACIVSA-N -1 3 393.834 3.444 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(-c2cccc(F)c2)n1 ZINC000119910721 1413613834 /nfs/dbraw/zinc/61/38/34/1413613834.db2.gz OHPXOCWRWMURMH-INIZCTEOSA-N -1 3 392.390 3.371 20 30 GGEDHM CCc1nc(C)c([C@H](C)N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000119937555 1413623986 /nfs/dbraw/zinc/62/39/86/1413623986.db2.gz MCCQCYODRMWDJQ-AWEZNQCLSA-N -1 3 386.521 3.343 20 30 GGEDHM N#Cc1ccc(Cc2cnc(NC=C3C(=O)[N-]C(=O)c4ccccc43)s2)cc1 ZINC000120823627 1413916026 /nfs/dbraw/zinc/91/60/26/1413916026.db2.gz KRWSKJKSTDWPDA-LDADJPATSA-N -1 3 386.436 3.329 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000121025973 1413980400 /nfs/dbraw/zinc/98/04/00/1413980400.db2.gz QWNYAGKZWQGDGZ-SUMWQHHRSA-N -1 3 387.842 3.261 20 30 GGEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000121563622 1414179462 /nfs/dbraw/zinc/17/94/62/1414179462.db2.gz AOHCOUSWGBZMLZ-QGZVFWFLSA-N -1 3 376.409 3.331 20 30 GGEDHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000121757295 1414248189 /nfs/dbraw/zinc/24/81/89/1414248189.db2.gz XHBAGLACTUIVEU-NSHDSACASA-N -1 3 395.706 3.328 20 30 GGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(Br)c(Cl)c1 ZINC000122121954 1414367934 /nfs/dbraw/zinc/36/79/34/1414367934.db2.gz JPFCXLJFZMUQJD-JTQLQIEISA-N -1 3 378.613 3.459 20 30 GGEDHM Cc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(OCC2CC2)c1 ZINC000122576758 1414505874 /nfs/dbraw/zinc/50/58/74/1414505874.db2.gz RVNACFCPBFYBLK-UHFFFAOYSA-N -1 3 393.487 3.210 20 30 GGEDHM COc1ccc(C[C@@H](C)CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000123313475 1414694474 /nfs/dbraw/zinc/69/44/74/1414694474.db2.gz WGBYBRGLDQCZOY-OAHLLOKOSA-N -1 3 395.503 3.142 20 30 GGEDHM N#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(OCc2ccccc2)cc1 ZINC000123831136 1414830960 /nfs/dbraw/zinc/83/09/60/1414830960.db2.gz WCFIXTLUAICPAB-GOSISDBHSA-N -1 3 386.398 3.497 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000124651813 1415014058 /nfs/dbraw/zinc/01/40/58/1415014058.db2.gz PQLMXNBBVKVZTE-QGZVFWFLSA-N -1 3 399.878 3.129 20 30 GGEDHM C=C(C)CN(CC)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000125008908 1415090665 /nfs/dbraw/zinc/09/06/65/1415090665.db2.gz KWCWJHQCYDKVDV-UHFFFAOYSA-N -1 3 391.320 3.472 20 30 GGEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)n1 ZINC000125507121 1415216359 /nfs/dbraw/zinc/21/63/59/1415216359.db2.gz KVWUUTDBMCQEKP-UHFFFAOYSA-N -1 3 377.404 3.352 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000126464908 1415460749 /nfs/dbraw/zinc/46/07/49/1415460749.db2.gz STSIWJGJEXXBBJ-ICSRJNTNSA-N -1 3 397.519 3.327 20 30 GGEDHM CCOC(=O)c1cccc(N(CC)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000126504959 1415472972 /nfs/dbraw/zinc/47/29/72/1415472972.db2.gz DKGAAVKAJGAAKZ-UHFFFAOYSA-N -1 3 395.459 3.026 20 30 GGEDHM C#CCCCC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000126571618 1415495996 /nfs/dbraw/zinc/49/59/96/1415495996.db2.gz LJKVJZFXHKNOPI-UHFFFAOYSA-N -1 3 395.116 3.293 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)nc1 ZINC000128978884 1416118132 /nfs/dbraw/zinc/11/81/32/1416118132.db2.gz TUNBQFQHBHVMOI-LBPRGKRZSA-N -1 3 377.322 3.460 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1c(Cl)nc2ccccn21 ZINC000128992503 1416121681 /nfs/dbraw/zinc/12/16/81/1416121681.db2.gz UEEGIHKQSKPTAU-LBPRGKRZSA-N -1 3 382.807 3.348 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2F)n1 ZINC000129035203 1416130371 /nfs/dbraw/zinc/13/03/71/1416130371.db2.gz KKFSHSYGVKRNPS-CQSZACIVSA-N -1 3 392.390 3.371 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2F)n1 ZINC000129035002 1416130742 /nfs/dbraw/zinc/13/07/42/1416130742.db2.gz KKFSHSYGVKRNPS-AWEZNQCLSA-N -1 3 392.390 3.371 20 30 GGEDHM COc1ccccc1N1CC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1=O ZINC000129393960 1416202491 /nfs/dbraw/zinc/20/24/91/1416202491.db2.gz HNRMRXIIZMICNK-XLTHYULKSA-N -1 3 389.249 3.388 20 30 GGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cn(Cc2ccccc2)nn1 ZINC000130188413 1416335596 /nfs/dbraw/zinc/33/55/96/1416335596.db2.gz LQUZBJPGLAVWCY-CQSZACIVSA-N -1 3 397.797 3.080 20 30 GGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000130428155 1416376307 /nfs/dbraw/zinc/37/63/07/1416376307.db2.gz NBLOEBIGIPOTOI-HZMBPMFUSA-N -1 3 391.371 3.364 20 30 GGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000130427926 1416376495 /nfs/dbraw/zinc/37/64/95/1416376495.db2.gz NBLOEBIGIPOTOI-YGRLFVJLSA-N -1 3 391.371 3.364 20 30 GGEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000130469594 1416383363 /nfs/dbraw/zinc/38/33/63/1416383363.db2.gz KSXLIWIUVGZHEV-SGTLLEGYSA-N -1 3 392.502 3.439 20 30 GGEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(C#N)cc1 ZINC000178514440 1429094964 /nfs/dbraw/zinc/09/49/64/1429094964.db2.gz MNJRZSUDUHLVGY-UHFFFAOYSA-N -1 3 386.454 3.038 20 30 GGEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ncn(-c2ccccc2)n1 ZINC000131213849 1416524446 /nfs/dbraw/zinc/52/44/46/1416524446.db2.gz MUDCFYLQHZTKCJ-GOSISDBHSA-N -1 3 381.395 3.382 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2)nc1C ZINC000132621821 1416795471 /nfs/dbraw/zinc/79/54/71/1416795471.db2.gz VUJVHIZKPYYEAU-INIZCTEOSA-N -1 3 386.411 3.422 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3)nc2C)cc1 ZINC000132803051 1416816719 /nfs/dbraw/zinc/81/67/19/1416816719.db2.gz URIIIMAQWARHTK-GOSISDBHSA-N -1 3 386.411 3.422 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3)nc2C)cc1 ZINC000132803278 1416816854 /nfs/dbraw/zinc/81/68/54/1416816854.db2.gz URIIIMAQWARHTK-SFHVURJKSA-N -1 3 386.411 3.422 20 30 GGEDHM CCN(CCC#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000133588842 1416912533 /nfs/dbraw/zinc/91/25/33/1416912533.db2.gz GJTILQKAMOBUPR-UHFFFAOYSA-N -1 3 389.452 3.311 20 30 GGEDHM C=CCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccccc1 ZINC000133952960 1417001134 /nfs/dbraw/zinc/00/11/34/1417001134.db2.gz WUCKGDSYXIMFMQ-KRWDZBQOSA-N -1 3 376.453 3.171 20 30 GGEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(Br)n1 ZINC000135245099 1417195884 /nfs/dbraw/zinc/19/58/84/1417195884.db2.gz QVLBEOATCOGVQY-UHFFFAOYSA-N -1 3 386.658 3.478 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000135264814 1417199340 /nfs/dbraw/zinc/19/93/40/1417199340.db2.gz PSSBUKDAVYHZCU-SUMWQHHRSA-N -1 3 381.451 3.340 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccccc2Cl)CC1 ZINC000135446384 1417221166 /nfs/dbraw/zinc/22/11/66/1417221166.db2.gz AQUDAEKXXFULOY-UHFFFAOYSA-N -1 3 383.879 3.297 20 30 GGEDHM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)NC(C)C)ccc2Cl)c1C#N ZINC000137283983 1417378794 /nfs/dbraw/zinc/37/87/94/1417378794.db2.gz OVBGFOVNVGDOAS-UHFFFAOYSA-N -1 3 391.880 3.459 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000138715312 1417435627 /nfs/dbraw/zinc/43/56/27/1417435627.db2.gz DDASIIPONRONFN-HNNXBMFYSA-N -1 3 392.390 3.371 20 30 GGEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2sc(CC)nc2C)cc1 ZINC000140371426 1417500639 /nfs/dbraw/zinc/50/06/39/1417500639.db2.gz SIJNNUMUSOLVDY-AWEZNQCLSA-N -1 3 385.445 3.152 20 30 GGEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2sc(CC)nc2C)cc1 ZINC000140371250 1417500679 /nfs/dbraw/zinc/50/06/79/1417500679.db2.gz SIJNNUMUSOLVDY-CQSZACIVSA-N -1 3 385.445 3.152 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000145352091 1417686686 /nfs/dbraw/zinc/68/66/86/1417686686.db2.gz WBCVYMGQGXIELU-AVRDEDQJSA-N -1 3 393.487 3.080 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(COCC2CC2)c1 ZINC000149122410 1417772811 /nfs/dbraw/zinc/77/28/11/1417772811.db2.gz RLFBWPZZVVMTIC-UHFFFAOYSA-N -1 3 379.460 3.361 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(CCCC3)CC2)ccc1F ZINC000150895722 1417829692 /nfs/dbraw/zinc/82/96/92/1417829692.db2.gz HQTSDIWOWYBEDD-UHFFFAOYSA-N -1 3 380.485 3.086 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1 ZINC000150972396 1417846265 /nfs/dbraw/zinc/84/62/65/1417846265.db2.gz KXKKZAHWIILZKK-UHFFFAOYSA-N -1 3 375.413 3.297 20 30 GGEDHM N#CC(=C([O-])c1ccc(=O)n(CCOc2ccccc2Cl)c1)c1ccccn1 ZINC000152265454 1418189139 /nfs/dbraw/zinc/18/91/39/1418189139.db2.gz UQPDQEWNEJODNM-INIZCTEOSA-N -1 3 393.830 3.466 20 30 GGEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CCC#N)Cc2ccco2)c1 ZINC000179465555 1429385121 /nfs/dbraw/zinc/38/51/21/1429385121.db2.gz GXEISCOIPNKQQS-UHFFFAOYSA-N -1 3 394.387 3.090 20 30 GGEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000179504234 1429399986 /nfs/dbraw/zinc/39/99/86/1429399986.db2.gz LWVSWDTXVASCJN-MPBGBICISA-N -1 3 382.420 3.143 20 30 GGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccnc(OCC(F)F)c1 ZINC000179611044 1429470203 /nfs/dbraw/zinc/47/02/03/1429470203.db2.gz OFQXZHCCNSWFCK-CYBMUJFWSA-N -1 3 379.750 3.340 20 30 GGEDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CO2 ZINC000152537896 1422135764 /nfs/dbraw/zinc/13/57/64/1422135764.db2.gz MTAVEXZIPFASDN-AWEZNQCLSA-N -1 3 382.363 3.298 20 30 GGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000153288040 1422442221 /nfs/dbraw/zinc/44/22/21/1422442221.db2.gz OXDWFFNIDLRGBN-OAHLLOKOSA-N -1 3 389.371 3.050 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(C)c2O)ccc1F ZINC000179806502 1429579851 /nfs/dbraw/zinc/57/98/51/1429579851.db2.gz RTIALRYBNNGAKB-UHFFFAOYSA-N -1 3 398.843 3.210 20 30 GGEDHM Cc1c([O-])ccc2c(CN3CCN([C@@H](C#N)c4ccccc4)CC3)cc(=O)oc12 ZINC000153857415 1422800113 /nfs/dbraw/zinc/80/01/13/1422800113.db2.gz YBHUCGLKMNDCSX-FQEVSTJZSA-N -1 3 389.455 3.190 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2N(C)CC[C@@H]1C ZINC000154306114 1422870010 /nfs/dbraw/zinc/87/00/10/1422870010.db2.gz FOTODUJHCRFNBK-AWEZNQCLSA-N -1 3 378.476 3.058 20 30 GGEDHM C=CCOC(=O)c1sc2[n-]c(CC(=O)c3ccc(C)cc3)nc(=O)c2c1C ZINC000154409426 1422885330 /nfs/dbraw/zinc/88/53/30/1422885330.db2.gz NABRMLMMZWXZFG-UHFFFAOYSA-N -1 3 382.441 3.370 20 30 GGEDHM CCOC(=O)c1sc2[n-]c([C@H](C)N(CC)C[C@H](C)C#N)nc(=O)c2c1C ZINC000155231319 1423262325 /nfs/dbraw/zinc/26/23/25/1423262325.db2.gz JPYHZHOPWZUQGD-PWSUYJOCSA-N -1 3 376.482 3.012 20 30 GGEDHM Cc1cn(-c2ccccc2Cl)nc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000155609942 1423444083 /nfs/dbraw/zinc/44/40/83/1423444083.db2.gz QTCUIOOTLHEANB-ZDUSSCGKSA-N -1 3 379.807 3.190 20 30 GGEDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C(C)C)cc1 ZINC000156236350 1423737426 /nfs/dbraw/zinc/73/74/26/1423737426.db2.gz JBUIKGNUAUIZNO-SFHVURJKSA-N -1 3 389.433 3.151 20 30 GGEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(CC#N)C3CCCC3)cs2)c1 ZINC000180043026 1429710645 /nfs/dbraw/zinc/71/06/45/1429710645.db2.gz WPMQJPXYBJVGQA-UHFFFAOYSA-N -1 3 398.488 3.247 20 30 GGEDHM C[C@H]1CN(Cc2ccccc2)CC1N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820760975 1424319187 /nfs/dbraw/zinc/31/91/87/1424319187.db2.gz VAEPUHGBIJUYRW-ZDUSSCGKSA-N -1 3 394.483 3.072 20 30 GGEDHM C[C@H]1CN(Cc2ccccc2)CC1N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000820760975 1424319191 /nfs/dbraw/zinc/31/91/91/1424319191.db2.gz VAEPUHGBIJUYRW-ZDUSSCGKSA-N -1 3 394.483 3.072 20 30 GGEDHM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000158753271 1424334751 /nfs/dbraw/zinc/33/47/51/1424334751.db2.gz WVHLFVDKNAGWIO-UHFFFAOYSA-N -1 3 391.880 3.493 20 30 GGEDHM COc1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1[N-]S(C)(=O)=O ZINC000158932386 1424375668 /nfs/dbraw/zinc/37/56/68/1424375668.db2.gz CDCFOHZDTMUKBU-UHFFFAOYSA-N -1 3 388.493 3.029 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3sccc32)ccc1F ZINC000160376020 1424598996 /nfs/dbraw/zinc/59/89/96/1424598996.db2.gz WZRBUDHXONJOPM-HNNXBMFYSA-N -1 3 394.493 3.159 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3sccc32)ccc1F ZINC000160375917 1424599395 /nfs/dbraw/zinc/59/93/95/1424599395.db2.gz WZRBUDHXONJOPM-OAHLLOKOSA-N -1 3 394.493 3.159 20 30 GGEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCCCC1 ZINC000161153923 1424662617 /nfs/dbraw/zinc/66/26/17/1424662617.db2.gz QJVRJWYIQUDODP-ZDUSSCGKSA-N -1 3 391.371 3.364 20 30 GGEDHM COc1cc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc(OC)c1[O-] ZINC000161279424 1424672684 /nfs/dbraw/zinc/67/26/84/1424672684.db2.gz LLQQJDSUMBCHGL-UHFFFAOYSA-N -1 3 379.334 3.210 20 30 GGEDHM N#CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000171594702 1425752915 /nfs/dbraw/zinc/75/29/15/1425752915.db2.gz FNRIQVSQWZVBFT-UHFFFAOYSA-N -1 3 375.425 3.050 20 30 GGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000172591029 1426102269 /nfs/dbraw/zinc/10/22/69/1426102269.db2.gz CEOBGMJQYOAKJX-QGZVFWFLSA-N -1 3 382.445 3.395 20 30 GGEDHM N#Cc1cccc(COc2cccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)c2)c1 ZINC000172590321 1426102475 /nfs/dbraw/zinc/10/24/75/1426102475.db2.gz LHYHRHUTSPPBFF-FQEVSTJZSA-N -1 3 386.473 3.448 20 30 GGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc([C@H](C)N2CCOCC2)cc1 ZINC000172675175 1426138377 /nfs/dbraw/zinc/13/83/77/1426138377.db2.gz DENPHJBJSJPNRZ-INIZCTEOSA-N -1 3 385.489 3.061 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000172836746 1426211321 /nfs/dbraw/zinc/21/13/21/1426211321.db2.gz NBYNCFGBBOXRTK-GFCCVEGCSA-N -1 3 387.867 3.033 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000172867988 1426230135 /nfs/dbraw/zinc/23/01/35/1426230135.db2.gz JLHOZBXALPTBPQ-LBPRGKRZSA-N -1 3 387.867 3.033 20 30 GGEDHM CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000820843400 1426513613 /nfs/dbraw/zinc/51/36/13/1426513613.db2.gz XXGIDXJNVGRZHR-KDOFPFPSSA-N -1 3 392.463 3.407 20 30 GGEDHM CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000820843400 1426513618 /nfs/dbraw/zinc/51/36/18/1426513618.db2.gz XXGIDXJNVGRZHR-KDOFPFPSSA-N -1 3 392.463 3.407 20 30 GGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCC(F)(F)F)c2)c1 ZINC000173963165 1426913298 /nfs/dbraw/zinc/91/32/98/1426913298.db2.gz YBYREQJQTUWPFM-CQSZACIVSA-N -1 3 377.322 3.292 20 30 GGEDHM C=CCN(CCOc1ccccc1OCC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819744165 1427266925 /nfs/dbraw/zinc/26/69/25/1427266925.db2.gz YRHSDWIOXDDEQQ-UHFFFAOYSA-N -1 3 379.464 3.332 20 30 GGEDHM C=CCN(CCOc1ccccc1OCC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819744165 1427266932 /nfs/dbraw/zinc/26/69/32/1427266932.db2.gz YRHSDWIOXDDEQQ-UHFFFAOYSA-N -1 3 379.464 3.332 20 30 GGEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C(C)(C)C)[nH]n2)C1=O ZINC000174942952 1427458046 /nfs/dbraw/zinc/45/80/46/1427458046.db2.gz CHWAAGABYGMWGP-LJQANCHMSA-N -1 3 377.489 3.023 20 30 GGEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C(C)(C)C)[nH]n2)C1=O ZINC000174942967 1427458121 /nfs/dbraw/zinc/45/81/21/1427458121.db2.gz CHWAAGABYGMWGP-IBGZPJMESA-N -1 3 377.489 3.023 20 30 GGEDHM CC[C@@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)Oc1ccccc1C ZINC000174988421 1427481807 /nfs/dbraw/zinc/48/18/07/1427481807.db2.gz BFYBZUFZLUAXCY-KRWDZBQOSA-N -1 3 381.476 3.078 20 30 GGEDHM CCCCO[C@@H]1C[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C ZINC000175695362 1427861197 /nfs/dbraw/zinc/86/11/97/1427861197.db2.gz FTDLMDIXTOJMCA-RBUKOAKNSA-N -1 3 387.524 3.238 20 30 GGEDHM CCc1nnc(-c2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2)o1 ZINC000175803736 1427898779 /nfs/dbraw/zinc/89/87/79/1427898779.db2.gz WGEYGBHMCLUERB-UHFFFAOYSA-N -1 3 391.431 3.047 20 30 GGEDHM Cc1cccc(C2=CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)c1 ZINC000180467586 1429875825 /nfs/dbraw/zinc/87/58/25/1429875825.db2.gz AIXHQNQVDBTDLK-UHFFFAOYSA-N -1 3 375.472 3.420 20 30 GGEDHM CCn1c2ccc(Cl)cc2nc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000180908030 1430102391 /nfs/dbraw/zinc/10/23/91/1430102391.db2.gz IJYHIRXBKKJWOU-UHFFFAOYSA-N -1 3 397.866 3.458 20 30 GGEDHM Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000181177822 1430239054 /nfs/dbraw/zinc/23/90/54/1430239054.db2.gz IBXPFOFIWOZDTA-UHFFFAOYSA-N -1 3 398.419 3.387 20 30 GGEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000181289092 1430263871 /nfs/dbraw/zinc/26/38/71/1430263871.db2.gz UDBNGARJBBUJGV-QMMMGPOBSA-N -1 3 392.259 3.405 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000182014060 1430396347 /nfs/dbraw/zinc/39/63/47/1430396347.db2.gz ORHAWXLPZYLSEA-UHFFFAOYSA-N -1 3 392.484 3.482 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000182022549 1430398229 /nfs/dbraw/zinc/39/82/29/1430398229.db2.gz NYCVONZBECUFLX-GOSISDBHSA-N -1 3 399.878 3.480 20 30 GGEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(CCC#N)CC3CC3)cs2)c1 ZINC000183566161 1430743496 /nfs/dbraw/zinc/74/34/96/1430743496.db2.gz IINLTTKDNWDEQP-UHFFFAOYSA-N -1 3 398.488 3.104 20 30 GGEDHM Cc1cccc2c1N(C1CC1)CCN2C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000184755968 1430967463 /nfs/dbraw/zinc/96/74/63/1430967463.db2.gz XIBQKXDMLZSTKL-UHFFFAOYSA-N -1 3 390.487 3.120 20 30 GGEDHM C=C(C)[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccc(F)c(F)c1 ZINC000186031941 1431315147 /nfs/dbraw/zinc/31/51/47/1431315147.db2.gz CHCMPLUFQZUWSM-KRWDZBQOSA-N -1 3 398.406 3.059 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2CSC)ccc1F ZINC000186076796 1431325510 /nfs/dbraw/zinc/32/55/10/1431325510.db2.gz WEMATJWTSDXMNR-UHFFFAOYSA-N -1 3 394.493 3.405 20 30 GGEDHM C=CCC[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000186408036 1431406001 /nfs/dbraw/zinc/40/60/01/1431406001.db2.gz GELWBOWGXYZZMJ-NRFANRHFSA-N -1 3 378.472 3.427 20 30 GGEDHM C=CCC[C@@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000186408052 1431406029 /nfs/dbraw/zinc/40/60/29/1431406029.db2.gz GELWBOWGXYZZMJ-OAQYLSRUSA-N -1 3 378.472 3.427 20 30 GGEDHM CSc1cccc(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)c1[N+](=O)[O-] ZINC000186725368 1431502539 /nfs/dbraw/zinc/50/25/39/1431502539.db2.gz QBQXQKDCCGMDEC-UHFFFAOYSA-N -1 3 394.416 3.080 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccn(Cc3ccccc3)c2=O)c1 ZINC000187021187 1431592404 /nfs/dbraw/zinc/59/24/04/1431592404.db2.gz MMCYCTZBPRMUPZ-UHFFFAOYSA-N -1 3 399.859 3.222 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000187674033 1431797250 /nfs/dbraw/zinc/79/72/50/1431797250.db2.gz LIWZTMXAMXCNGA-KRWDZBQOSA-N -1 3 391.393 3.258 20 30 GGEDHM N#Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1[O-] ZINC000188409409 1431881948 /nfs/dbraw/zinc/88/19/48/1431881948.db2.gz ROQVNZDOWVJAES-KRWDZBQOSA-N -1 3 389.377 3.287 20 30 GGEDHM N#Cc1ccc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)cc1[O-] ZINC000188445058 1431884626 /nfs/dbraw/zinc/88/46/26/1431884626.db2.gz LQZHKPVRZUGCTJ-UHFFFAOYSA-N -1 3 399.878 3.190 20 30 GGEDHM CC[C@]1(C)Oc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2O1 ZINC000188642349 1431915425 /nfs/dbraw/zinc/91/54/25/1431915425.db2.gz TYCIYJHQUJEYLX-OAQYLSRUSA-N -1 3 381.432 3.332 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000190000914 1432302572 /nfs/dbraw/zinc/30/25/72/1432302572.db2.gz PSBPFWIEWYHIEL-UHFFFAOYSA-N -1 3 385.414 3.265 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCSc2ccc(F)cc21 ZINC000190416316 1432377670 /nfs/dbraw/zinc/37/76/70/1432377670.db2.gz PFQNNGXWJFTQDC-UHFFFAOYSA-N -1 3 385.464 3.464 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](Cc1ccccc1)C(C)C ZINC000190739869 1432463530 /nfs/dbraw/zinc/46/35/30/1432463530.db2.gz BTHGXFMBUCZXRY-LJQANCHMSA-N -1 3 379.504 3.427 20 30 GGEDHM Cc1nc(COc2cccc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2)no1 ZINC000190972523 1432540636 /nfs/dbraw/zinc/54/06/36/1432540636.db2.gz VVWMTEHOEJQWEY-MRXNPFEDSA-N -1 3 385.383 3.390 20 30 GGEDHM Cc1nc(COc2cccc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2)no1 ZINC000190972507 1432540737 /nfs/dbraw/zinc/54/07/37/1432540737.db2.gz VVWMTEHOEJQWEY-INIZCTEOSA-N -1 3 385.383 3.390 20 30 GGEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000191718281 1432712575 /nfs/dbraw/zinc/71/25/75/1432712575.db2.gz LIYORTAAYBOFDZ-UHFFFAOYSA-N -1 3 382.363 3.067 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC000191802221 1432728520 /nfs/dbraw/zinc/72/85/20/1432728520.db2.gz XLPIMRIIIKQXSO-UHFFFAOYSA-N -1 3 383.835 3.217 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 ZINC000192402584 1432841098 /nfs/dbraw/zinc/84/10/98/1432841098.db2.gz SJNUXGIPQDHBGZ-QFBILLFUSA-N -1 3 390.487 3.423 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)nc1C ZINC000193377875 1432987716 /nfs/dbraw/zinc/98/77/16/1432987716.db2.gz NNPRNQUIKURSJV-GFCCVEGCSA-N -1 3 377.322 3.379 20 30 GGEDHM N#CC(=C([O-])c1ccc(-n2cnnn2)cc1)c1nc2cc(Cl)ccc2s1 ZINC000193774834 1433056707 /nfs/dbraw/zinc/05/67/07/1433056707.db2.gz NBAHCIXRCHYOHH-ZDUSSCGKSA-N -1 3 380.820 3.415 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc(C)cc1 ZINC000194173315 1433131757 /nfs/dbraw/zinc/13/17/57/1433131757.db2.gz KUZKXQCJYRSNLL-KRWDZBQOSA-N -1 3 393.834 3.499 20 30 GGEDHM C=CCSCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000194501952 1433188244 /nfs/dbraw/zinc/18/82/44/1433188244.db2.gz AHGVYTZUVVUVDX-UHFFFAOYSA-N -1 3 394.493 3.276 20 30 GGEDHM C=CCOC(=O)c1sc2[n-]c(CC(=O)c3cccc(F)c3)nc(=O)c2c1C ZINC000194562783 1433197790 /nfs/dbraw/zinc/19/77/90/1433197790.db2.gz FZWKLONTVLENKN-UHFFFAOYSA-N -1 3 386.404 3.200 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)F)c2)ccc1F ZINC000195423277 1433328032 /nfs/dbraw/zinc/32/80/32/1433328032.db2.gz DZUVKTHXGOMOJP-UHFFFAOYSA-N -1 3 384.379 3.480 20 30 GGEDHM COc1ccc(C=CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1OC ZINC000207541496 1433354598 /nfs/dbraw/zinc/35/45/98/1433354598.db2.gz OYMZICYIDKOMSV-LUAWRHEFSA-N -1 3 376.434 3.377 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000248007451 1433762794 /nfs/dbraw/zinc/76/27/94/1433762794.db2.gz QBPMAULJAQMEOX-UHFFFAOYSA-N -1 3 394.493 3.156 20 30 GGEDHM CN1CC[C@H](CNC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249029863 1433832614 /nfs/dbraw/zinc/83/26/14/1433832614.db2.gz BDEIRWADBMUBLX-DNVCBOLYSA-N -1 3 387.842 3.479 20 30 GGEDHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C([O-])=C(C#N)c3ccccn3)cc2)C1 ZINC000249523803 1433846268 /nfs/dbraw/zinc/84/62/68/1433846268.db2.gz QOLAIBYEFYLRRJ-GPMSIDNRSA-N -1 3 397.500 3.238 20 30 GGEDHM C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000249733971 1433850260 /nfs/dbraw/zinc/85/02/60/1433850260.db2.gz VDGLWIJOMPKQQV-CRAIPNDOSA-N -1 3 383.473 3.135 20 30 GGEDHM COc1cc(C=C2CCc3[nH]c(=O)ccc3C2=O)cc(Br)c1[O-] ZINC000255063461 1433875427 /nfs/dbraw/zinc/87/54/27/1433875427.db2.gz AHJNFBNDNDEYPH-UXBLZVDNSA-N -1 3 376.206 3.476 20 30 GGEDHM N#Cc1ccc(Cc2cnc(NC=C3C(=O)[N-]C(=O)c4ccccc43)s2)cc1 ZINC000255282993 1433879080 /nfs/dbraw/zinc/87/90/80/1433879080.db2.gz KRWSKJKSTDWPDA-PDGQHHTCSA-N -1 3 386.436 3.329 20 30 GGEDHM O=c1[nH]c2ccccc2cc1C=Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000255326011 1433880511 /nfs/dbraw/zinc/88/05/11/1433880511.db2.gz QQPMWRZLLWPXEO-UHFFFAOYSA-N -1 3 385.420 3.271 20 30 GGEDHM COc1ccc(C(=O)N2CCN(C)CC2)cc1N=Cc1cc(Cl)ccc1[O-] ZINC000255398060 1433882365 /nfs/dbraw/zinc/88/23/65/1433882365.db2.gz NMNGDNOREQNGCN-UHFFFAOYSA-N -1 3 387.867 3.192 20 30 GGEDHM O=S(=O)(NC1=NCCC1)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255447017 1433883050 /nfs/dbraw/zinc/88/30/50/1433883050.db2.gz BMAUJLVGKLFQAD-UHFFFAOYSA-N -1 3 377.853 3.267 20 30 GGEDHM CCOc1ccc(O)c(C=Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000255672600 1433887642 /nfs/dbraw/zinc/88/76/42/1433887642.db2.gz PYQSKCBXHIHXHL-UHFFFAOYSA-N -1 3 378.425 3.121 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCNC[C@H]1c1ccccc1Cl ZINC000261941114 1433914991 /nfs/dbraw/zinc/91/49/91/1433914991.db2.gz KMPBFPCDDGIPNY-IBGZPJMESA-N -1 3 398.894 3.035 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000264125810 1434073895 /nfs/dbraw/zinc/07/38/95/1434073895.db2.gz XVZBEDUJBZUKMD-IBGZPJMESA-N -1 3 399.878 3.462 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2ccc(F)cc2)CCOCC1 ZINC000264353936 1434100890 /nfs/dbraw/zinc/10/08/90/1434100890.db2.gz IBZSSIWNXDWSNZ-UHFFFAOYSA-N -1 3 397.450 3.170 20 30 GGEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000264794260 1434155529 /nfs/dbraw/zinc/15/55/29/1434155529.db2.gz SVKJJFFNSOBDTG-UHFFFAOYSA-N -1 3 387.461 3.118 20 30 GGEDHM CCO[C@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000266081208 1434302129 /nfs/dbraw/zinc/30/21/29/1434302129.db2.gz KXXHGIXDGWDPGQ-OALUTQOASA-N -1 3 385.508 3.452 20 30 GGEDHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)o1 ZINC000267577065 1434447337 /nfs/dbraw/zinc/44/73/37/1434447337.db2.gz KMLSHNKNBQHMFW-NSHDSACASA-N -1 3 393.490 3.000 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2c(c1)CCCC(=O)N2 ZINC000271012810 1434795733 /nfs/dbraw/zinc/79/57/33/1434795733.db2.gz IYQBAYMOTBBFIJ-UHFFFAOYSA-N -1 3 379.416 3.089 20 30 GGEDHM CCCN(CC#N)C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000271289016 1434813434 /nfs/dbraw/zinc/81/34/34/1434813434.db2.gz ROZHCFWKOVDUPA-UHFFFAOYSA-N -1 3 397.431 3.037 20 30 GGEDHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)[C@@H](C)CC#N)c2)c1 ZINC000271301047 1434814463 /nfs/dbraw/zinc/81/44/63/1434814463.db2.gz QVHCVSLPYCPZEP-ZDUSSCGKSA-N -1 3 397.431 3.036 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1[C@@H](O)C(F)(F)F ZINC000272217675 1434878761 /nfs/dbraw/zinc/87/87/61/1434878761.db2.gz JQYGCHDXCBKFAZ-QGZVFWFLSA-N -1 3 393.365 3.443 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1[O-] ZINC000272307248 1434885889 /nfs/dbraw/zinc/88/58/89/1434885889.db2.gz YNFRGKONYHNMMD-PUMJXZTNSA-N -1 3 394.258 3.119 20 30 GGEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccco1 ZINC000272359721 1434890237 /nfs/dbraw/zinc/89/02/37/1434890237.db2.gz BLLVSZJLMOUQEJ-CYBMUJFWSA-N -1 3 388.367 3.226 20 30 GGEDHM C=CCN(CCc1ccco1)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000272637885 1434918339 /nfs/dbraw/zinc/91/83/39/1434918339.db2.gz NZOAUSAEKWEOIB-UHFFFAOYSA-N -1 3 392.459 3.336 20 30 GGEDHM CC(C)(C)[C@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272725899 1434926366 /nfs/dbraw/zinc/92/63/66/1434926366.db2.gz IPKMZTMLVWOUCI-MOPGFXCFSA-N -1 3 379.460 3.308 20 30 GGEDHM CO[C@H](c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1)c1ccc(F)cc1 ZINC000274064395 1435040815 /nfs/dbraw/zinc/04/08/15/1435040815.db2.gz RUIVZRKOEWWNAE-SFHVURJKSA-N -1 3 382.395 3.319 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc2cc(Cl)ccc2n1C ZINC000275040522 1435112019 /nfs/dbraw/zinc/11/20/19/1435112019.db2.gz FAJSCKYEAMKRAX-UHFFFAOYSA-N -1 3 397.866 3.065 20 30 GGEDHM COC(=O)c1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)cc1C ZINC000276281094 1435201864 /nfs/dbraw/zinc/20/18/64/1435201864.db2.gz PHUYZORSPOSDEN-UHFFFAOYSA-N -1 3 381.432 3.250 20 30 GGEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n(-c2cc(C)ccn2)n1 ZINC000278576343 1435401768 /nfs/dbraw/zinc/40/17/68/1435401768.db2.gz XMBDFRGKXDDHPE-UHFFFAOYSA-N -1 3 390.447 3.045 20 30 GGEDHM COC(=O)c1cnc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)[n-]1 ZINC000278592904 1435403412 /nfs/dbraw/zinc/40/34/12/1435403412.db2.gz HCLKUWASBVGIBB-NSHDSACASA-N -1 3 390.490 3.321 20 30 GGEDHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2)C[C@H](C)O1 ZINC000280009867 1435575747 /nfs/dbraw/zinc/57/57/47/1435575747.db2.gz SYPQYXUOWWJLSA-HOTGVXAUSA-N -1 3 385.489 3.167 20 30 GGEDHM CCC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](O)c1ccccc1 ZINC000280523680 1435672886 /nfs/dbraw/zinc/67/28/86/1435672886.db2.gz JEAJANBFCZWYEW-CTNGQTDRSA-N -1 3 381.476 3.227 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000280605419 1435687799 /nfs/dbraw/zinc/68/77/99/1435687799.db2.gz FIJGMXOXDKWIDN-SUMWQHHRSA-N -1 3 389.377 3.298 20 30 GGEDHM CC(C)CN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1ccc(C#N)cc1 ZINC000824261838 1441496204 /nfs/dbraw/zinc/49/62/04/1441496204.db2.gz RRRJOMWDTPUCNG-UHFFFAOYSA-N -1 3 386.463 3.044 20 30 GGEDHM CC(C)CN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccc(C#N)cc1 ZINC000824261838 1441496207 /nfs/dbraw/zinc/49/62/07/1441496207.db2.gz RRRJOMWDTPUCNG-UHFFFAOYSA-N -1 3 386.463 3.044 20 30 GGEDHM C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820413765 1443207625 /nfs/dbraw/zinc/20/76/25/1443207625.db2.gz VSJPFGNHIWMYPL-NEPJUHHUSA-N -1 3 395.854 3.070 20 30 GGEDHM C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820413765 1443207627 /nfs/dbraw/zinc/20/76/27/1443207627.db2.gz VSJPFGNHIWMYPL-NEPJUHHUSA-N -1 3 395.854 3.070 20 30 GGEDHM N#Cc1ccc(CN2CCCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cc1 ZINC000737712751 1446576835 /nfs/dbraw/zinc/57/68/35/1446576835.db2.gz SFKDRXYRHUILPT-UHFFFAOYSA-N -1 3 393.882 3.104 20 30 GGEDHM N#Cc1ccc(CN2CCCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000737712751 1446576839 /nfs/dbraw/zinc/57/68/39/1446576839.db2.gz SFKDRXYRHUILPT-UHFFFAOYSA-N -1 3 393.882 3.104 20 30 GGEDHM C=CCN(Cc1cccc(OCCOC)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823919713 1447152058 /nfs/dbraw/zinc/15/20/58/1447152058.db2.gz NYVBZNPICOLMRJ-UHFFFAOYSA-N -1 3 379.464 3.080 20 30 GGEDHM C=CCN(Cc1cccc(OCCOC)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823919713 1447152060 /nfs/dbraw/zinc/15/20/60/1447152060.db2.gz NYVBZNPICOLMRJ-UHFFFAOYSA-N -1 3 379.464 3.080 20 30 GGEDHM C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824554499 1449466645 /nfs/dbraw/zinc/46/66/45/1449466645.db2.gz PTAPTXUEHJMNTK-ZDUSSCGKSA-N -1 3 387.365 3.468 20 30 GGEDHM C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824554499 1449466654 /nfs/dbraw/zinc/46/66/54/1449466654.db2.gz PTAPTXUEHJMNTK-ZDUSSCGKSA-N -1 3 387.365 3.468 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)CC1 ZINC000908945110 939359789 /nfs/dbraw/zinc/35/97/89/939359789.db2.gz AINCBSXOPQXCLE-HXUWFJFHSA-N -1 3 381.476 3.305 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)CC1 ZINC000908945109 939360034 /nfs/dbraw/zinc/36/00/34/939360034.db2.gz AINCBSXOPQXCLE-FQEVSTJZSA-N -1 3 381.476 3.305 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)N[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000908947045 939360374 /nfs/dbraw/zinc/36/03/74/939360374.db2.gz YUZGQHRKUGOARH-HXUWFJFHSA-N -1 3 393.915 3.370 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC000908945624 939360582 /nfs/dbraw/zinc/36/05/82/939360582.db2.gz CZVVKHXQQBZSGL-INIZCTEOSA-N -1 3 399.413 3.171 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC000908946170 939360639 /nfs/dbraw/zinc/36/06/39/939360639.db2.gz OFTXKFIXGQBXOF-HXUWFJFHSA-N -1 3 381.476 3.305 20 30 GGEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C(C)(C)C)C2 ZINC000735437670 944649928 /nfs/dbraw/zinc/64/99/28/944649928.db2.gz OGDOMZXFJDEQNI-NSHDSACASA-N -1 3 375.498 3.220 20 30 GGEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)(C)C)C2 ZINC000735437670 944649934 /nfs/dbraw/zinc/64/99/34/944649934.db2.gz OGDOMZXFJDEQNI-NSHDSACASA-N -1 3 375.498 3.220 20 30 GGEDHM Cc1c(C(=O)C=Cc2cc(C#N)cs2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822015470 945920137 /nfs/dbraw/zinc/92/01/37/945920137.db2.gz KCBZNYAXVMSKBB-SREVYHEPSA-N -1 3 387.428 3.190 20 30 GGEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000824045360 946565876 /nfs/dbraw/zinc/56/58/76/946565876.db2.gz LPEBKRQZGJGFEP-SNVBAGLBSA-N -1 3 397.236 3.243 20 30 GGEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000824045360 946565884 /nfs/dbraw/zinc/56/58/84/946565884.db2.gz LPEBKRQZGJGFEP-SNVBAGLBSA-N -1 3 397.236 3.243 20 30 GGEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000824045355 946567619 /nfs/dbraw/zinc/56/76/19/946567619.db2.gz LPEBKRQZGJGFEP-JTQLQIEISA-N -1 3 397.236 3.243 20 30 GGEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000824045355 946567626 /nfs/dbraw/zinc/56/76/26/946567626.db2.gz LPEBKRQZGJGFEP-JTQLQIEISA-N -1 3 397.236 3.243 20 30 GGEDHM C#C[C@H](NCc1cc(-c2nnn[n-]2)ccc1Br)c1ccc(F)cc1 ZINC001573279485 946641084 /nfs/dbraw/zinc/64/10/84/946641084.db2.gz IBGAFSBWOOZWPU-INIZCTEOSA-N -1 3 386.228 3.232 20 30 GGEDHM C#C[C@H](NCc1cc(-c2nn[n-]n2)ccc1Br)c1ccc(F)cc1 ZINC001573279485 946641094 /nfs/dbraw/zinc/64/10/94/946641094.db2.gz IBGAFSBWOOZWPU-INIZCTEOSA-N -1 3 386.228 3.232 20 30 GGEDHM C#C[C@H](NC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001573279910 946649696 /nfs/dbraw/zinc/64/96/96/946649696.db2.gz LSGLFYKQTBFJPW-ACJLOTCBSA-N -1 3 378.411 3.083 20 30 GGEDHM C#C[C@H](NC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001573279910 946649701 /nfs/dbraw/zinc/64/97/01/946649701.db2.gz LSGLFYKQTBFJPW-ACJLOTCBSA-N -1 3 378.411 3.083 20 30 GGEDHM C#C[C@H]1CCCCN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001573281549 946677295 /nfs/dbraw/zinc/67/72/95/946677295.db2.gz ZUQHZSNBVJRTHB-SFHVURJKSA-N -1 3 387.443 3.074 20 30 GGEDHM C#C[C@H]1CCCCN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001573281549 946677299 /nfs/dbraw/zinc/67/72/99/946677299.db2.gz ZUQHZSNBVJRTHB-SFHVURJKSA-N -1 3 387.443 3.074 20 30 GGEDHM C#CCCOc1ccc(C(=O)N(c2cccc(-c3nnn[n-]3)c2)C2CCC2)cc1 ZINC001573281908 946681870 /nfs/dbraw/zinc/68/18/70/946681870.db2.gz CEAYAVKARABOIO-UHFFFAOYSA-N -1 3 387.443 3.468 20 30 GGEDHM C#CCCOc1ccc(C(=O)N(c2cccc(-c3nn[n-]n3)c2)C2CCC2)cc1 ZINC001573281908 946681876 /nfs/dbraw/zinc/68/18/76/946681876.db2.gz CEAYAVKARABOIO-UHFFFAOYSA-N -1 3 387.443 3.468 20 30 GGEDHM C#CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1)C(C)C ZINC001573282198 946686367 /nfs/dbraw/zinc/68/63/67/946686367.db2.gz GNKBRBPNFGYTFY-UHFFFAOYSA-N -1 3 375.432 3.451 20 30 GGEDHM C#CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1)C(C)C ZINC001573282198 946686371 /nfs/dbraw/zinc/68/63/71/946686371.db2.gz GNKBRBPNFGYTFY-UHFFFAOYSA-N -1 3 375.432 3.451 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(CCC)CC1CC1 ZINC001573282305 946689115 /nfs/dbraw/zinc/68/91/15/946689115.db2.gz ILVIGIKMMRXNHQ-UHFFFAOYSA-N -1 3 390.495 3.165 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(CCC)CC1CC1 ZINC001573282305 946689122 /nfs/dbraw/zinc/68/91/22/946689122.db2.gz ILVIGIKMMRXNHQ-UHFFFAOYSA-N -1 3 390.495 3.165 20 30 GGEDHM C#CCCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC(=C)CC1 ZINC001573283077 946708088 /nfs/dbraw/zinc/70/80/88/946708088.db2.gz RLTSAEYQAYEMDD-UHFFFAOYSA-N -1 3 388.479 3.085 20 30 GGEDHM C#CCCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC(=C)CC1 ZINC001573283077 946708096 /nfs/dbraw/zinc/70/80/96/946708096.db2.gz RLTSAEYQAYEMDD-UHFFFAOYSA-N -1 3 388.479 3.085 20 30 GGEDHM C#CCN(C(=O)c1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCCc2ccccc21 ZINC001573283284 946711862 /nfs/dbraw/zinc/71/18/62/946711862.db2.gz QVVULZLJTMUGOV-LJQANCHMSA-N -1 3 375.407 3.159 20 30 GGEDHM C#CCN(C(=O)c1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCCc2ccccc21 ZINC001573283284 946711871 /nfs/dbraw/zinc/71/18/71/946711871.db2.gz QVVULZLJTMUGOV-LJQANCHMSA-N -1 3 375.407 3.159 20 30 GGEDHM C#CCOc1ccccc1NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001573287485 946839111 /nfs/dbraw/zinc/83/91/11/946839111.db2.gz CHGMXPCFQMZDNR-UHFFFAOYSA-N -1 3 392.419 3.310 20 30 GGEDHM C#CCOc1ccccc1NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001573287485 946839120 /nfs/dbraw/zinc/83/91/20/946839120.db2.gz CHGMXPCFQMZDNR-UHFFFAOYSA-N -1 3 392.419 3.310 20 30 GGEDHM C#C[C@H]1CC[C@H](Nc2c(-c3nnn[n-]3)cnc3c(OC)cc(OC)cc32)CC1 ZINC001573288002 946851649 /nfs/dbraw/zinc/85/16/49/946851649.db2.gz HFEVPIVRNHCLNJ-JOCQHMNTSA-N -1 3 378.436 3.036 20 30 GGEDHM C#C[C@H]1CC[C@H](Nc2c(-c3nn[n-]n3)cnc3c(OC)cc(OC)cc32)CC1 ZINC001573288002 946851654 /nfs/dbraw/zinc/85/16/54/946851654.db2.gz HFEVPIVRNHCLNJ-JOCQHMNTSA-N -1 3 378.436 3.036 20 30 GGEDHM C#CCSc1ccc(COC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573288348 946863690 /nfs/dbraw/zinc/86/36/90/946863690.db2.gz JZKKCMZLQVXKQY-RBUKOAKNSA-N -1 3 390.468 3.439 20 30 GGEDHM C#CCSc1ccc(COC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573288348 946863697 /nfs/dbraw/zinc/86/36/97/946863697.db2.gz JZKKCMZLQVXKQY-RBUKOAKNSA-N -1 3 390.468 3.439 20 30 GGEDHM C#CCOc1ccc(F)cc1NC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001573288406 946863989 /nfs/dbraw/zinc/86/39/89/946863989.db2.gz KVGRXIZFQXINLV-CYBMUJFWSA-N -1 3 394.410 3.243 20 30 GGEDHM C#CCOc1ccc(F)cc1NC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001573288406 946863998 /nfs/dbraw/zinc/86/39/98/946863998.db2.gz KVGRXIZFQXINLV-CYBMUJFWSA-N -1 3 394.410 3.243 20 30 GGEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001573290293 946902640 /nfs/dbraw/zinc/90/26/40/946902640.db2.gz IXCYEGHTEPTSLC-UHFFFAOYSA-N -1 3 387.374 3.427 20 30 GGEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001573290293 946902642 /nfs/dbraw/zinc/90/26/42/946902642.db2.gz IXCYEGHTEPTSLC-UHFFFAOYSA-N -1 3 387.374 3.427 20 30 GGEDHM C#CCSCC(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC001573290340 946903364 /nfs/dbraw/zinc/90/33/64/946903364.db2.gz XDBUOSKOSPUEKA-UHFFFAOYSA-N -1 3 395.463 3.214 20 30 GGEDHM C#CCSCC(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC001573290340 946903373 /nfs/dbraw/zinc/90/33/73/946903373.db2.gz XDBUOSKOSPUEKA-UHFFFAOYSA-N -1 3 395.463 3.214 20 30 GGEDHM C#Cc1ccc([C@@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2F)C(F)(F)F)cc1 ZINC001573290525 946905932 /nfs/dbraw/zinc/90/59/32/946905932.db2.gz LCLNSPCATRXLQW-OAHLLOKOSA-N -1 3 390.296 3.448 20 30 GGEDHM C#Cc1ccc([C@@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2F)C(F)(F)F)cc1 ZINC001573290525 946905937 /nfs/dbraw/zinc/90/59/37/946905937.db2.gz LCLNSPCATRXLQW-OAHLLOKOSA-N -1 3 390.296 3.448 20 30 GGEDHM C=C(C)CN(CC)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1C[C@@H](C)SC ZINC001573293623 946962138 /nfs/dbraw/zinc/96/21/38/946962138.db2.gz DKKKOOXNCOGHHK-CQSZACIVSA-N -1 3 398.540 3.279 20 30 GGEDHM C=C(C)CN(CC)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1C[C@@H](C)SC ZINC001573293623 946962145 /nfs/dbraw/zinc/96/21/45/946962145.db2.gz DKKKOOXNCOGHHK-CQSZACIVSA-N -1 3 398.540 3.279 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001573293652 946963118 /nfs/dbraw/zinc/96/31/18/946963118.db2.gz FKGRJSMVVFOCNM-QAPCUYQASA-N -1 3 390.495 3.470 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001573293652 946963123 /nfs/dbraw/zinc/96/31/23/946963123.db2.gz FKGRJSMVVFOCNM-QAPCUYQASA-N -1 3 390.495 3.470 20 30 GGEDHM C=C(CNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573295399 947017827 /nfs/dbraw/zinc/01/78/27/947017827.db2.gz QABZNYSXQXEXEI-UHFFFAOYSA-N -1 3 378.436 3.489 20 30 GGEDHM C=C(CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573295399 947017838 /nfs/dbraw/zinc/01/78/38/947017838.db2.gz QABZNYSXQXEXEI-UHFFFAOYSA-N -1 3 378.436 3.489 20 30 GGEDHM C=C1CCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001573296148 947040862 /nfs/dbraw/zinc/04/08/62/947040862.db2.gz LDGJXKLCOWJHOW-ZWKOTPCHSA-N -1 3 390.495 3.499 20 30 GGEDHM C=C1CCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001573296148 947040874 /nfs/dbraw/zinc/04/08/74/947040874.db2.gz LDGJXKLCOWJHOW-ZWKOTPCHSA-N -1 3 390.495 3.499 20 30 GGEDHM C=C(Cl)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001573298049 947069898 /nfs/dbraw/zinc/06/98/98/947069898.db2.gz LZTAYLJHDXLQTI-MRXNPFEDSA-N -1 3 396.886 3.114 20 30 GGEDHM C=C(Cl)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001573298049 947069910 /nfs/dbraw/zinc/06/99/10/947069910.db2.gz LZTAYLJHDXLQTI-MRXNPFEDSA-N -1 3 396.886 3.114 20 30 GGEDHM C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573298165 947072055 /nfs/dbraw/zinc/07/20/55/947072055.db2.gz MZJQPYVADRZZAQ-LBPRGKRZSA-N -1 3 386.891 3.361 20 30 GGEDHM C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573298165 947072065 /nfs/dbraw/zinc/07/20/65/947072065.db2.gz MZJQPYVADRZZAQ-LBPRGKRZSA-N -1 3 386.891 3.361 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001573299668 947100559 /nfs/dbraw/zinc/10/05/59/947100559.db2.gz KUFGLHDQZOZHST-XPTSAGLGSA-N -1 3 382.237 3.161 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001573299668 947100561 /nfs/dbraw/zinc/10/05/61/947100561.db2.gz KUFGLHDQZOZHST-XPTSAGLGSA-N -1 3 382.237 3.161 20 30 GGEDHM C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001573300691 947117164 /nfs/dbraw/zinc/11/71/64/947117164.db2.gz SELAQOPOORSJAH-HNNXBMFYSA-N -1 3 394.435 3.108 20 30 GGEDHM C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001573300691 947117173 /nfs/dbraw/zinc/11/71/73/947117173.db2.gz SELAQOPOORSJAH-HNNXBMFYSA-N -1 3 394.435 3.108 20 30 GGEDHM C=CCC(C)(C)Cn1c(CC)nnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573318326 947305052 /nfs/dbraw/zinc/30/50/52/947305052.db2.gz AMECPRQCPRAIHL-UHFFFAOYSA-N -1 3 380.500 3.259 20 30 GGEDHM C=CCC(C)(C)Cn1c(CC)nnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573318326 947305066 /nfs/dbraw/zinc/30/50/66/947305066.db2.gz AMECPRQCPRAIHL-UHFFFAOYSA-N -1 3 380.500 3.259 20 30 GGEDHM C=CCCC(C)(C)CNC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001573328191 947404940 /nfs/dbraw/zinc/40/49/40/947404940.db2.gz SADRKCOCYYTQPD-UHFFFAOYSA-N -1 3 397.527 3.081 20 30 GGEDHM C=CCCC(C)(C)CNC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001573328191 947404945 /nfs/dbraw/zinc/40/49/45/947404945.db2.gz SADRKCOCYYTQPD-UHFFFAOYSA-N -1 3 397.527 3.081 20 30 GGEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001573329562 947422931 /nfs/dbraw/zinc/42/29/31/947422931.db2.gz KYLGZNSYZFTHLI-SMDDNHRTSA-N -1 3 390.285 3.494 20 30 GGEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001573329562 947422936 /nfs/dbraw/zinc/42/29/36/947422936.db2.gz KYLGZNSYZFTHLI-SMDDNHRTSA-N -1 3 390.285 3.494 20 30 GGEDHM C=CCCCn1c(C)nnc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573335185 947475012 /nfs/dbraw/zinc/47/50/12/947475012.db2.gz NRCCIYUFJZSCRA-UHFFFAOYSA-N -1 3 376.468 3.027 20 30 GGEDHM C=CCCCn1c(C)nnc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573335185 947475020 /nfs/dbraw/zinc/47/50/20/947475020.db2.gz NRCCIYUFJZSCRA-UHFFFAOYSA-N -1 3 376.468 3.027 20 30 GGEDHM C=CCCC[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001573335790 947489273 /nfs/dbraw/zinc/48/92/73/947489273.db2.gz UZDUFEBGQMZHSM-GOSISDBHSA-N -1 3 377.448 3.459 20 30 GGEDHM C=CCCC[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001573335790 947489280 /nfs/dbraw/zinc/48/92/80/947489280.db2.gz UZDUFEBGQMZHSM-GOSISDBHSA-N -1 3 377.448 3.459 20 30 GGEDHM C=CCCCCCCNC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001573335905 947491669 /nfs/dbraw/zinc/49/16/69/947491669.db2.gz WWWNXAPAAQMWEW-UHFFFAOYSA-N -1 3 378.274 3.496 20 30 GGEDHM C=CCCCCCCNC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001573335905 947491679 /nfs/dbraw/zinc/49/16/79/947491679.db2.gz WWWNXAPAAQMWEW-UHFFFAOYSA-N -1 3 378.274 3.496 20 30 GGEDHM C=CCCc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001573341148 947528255 /nfs/dbraw/zinc/52/82/55/947528255.db2.gz IXCDRRAAXWGRGK-UHFFFAOYSA-N -1 3 390.852 3.406 20 30 GGEDHM C=CCCc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC001573341148 947528267 /nfs/dbraw/zinc/52/82/67/947528267.db2.gz IXCDRRAAXWGRGK-UHFFFAOYSA-N -1 3 390.852 3.406 20 30 GGEDHM C=CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1C[C@@]1(C)CCCS1 ZINC001573341369 947529236 /nfs/dbraw/zinc/52/92/36/947529236.db2.gz MBEXRHHZBPCOAV-LJQANCHMSA-N -1 3 396.524 3.033 20 30 GGEDHM C=CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1C[C@@]1(C)CCCS1 ZINC001573341369 947529244 /nfs/dbraw/zinc/52/92/44/947529244.db2.gz MBEXRHHZBPCOAV-LJQANCHMSA-N -1 3 396.524 3.033 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc(SC)ccc1[O-] ZINC001573341943 947535791 /nfs/dbraw/zinc/53/57/91/947535791.db2.gz RQAXCXPJBSLBHR-UHFFFAOYSA-N -1 3 381.461 3.123 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCc2cc(F)ccc21 ZINC001573341811 947537061 /nfs/dbraw/zinc/53/70/61/947537061.db2.gz QPEHFFYNCPVSOR-IBGZPJMESA-N -1 3 377.423 3.250 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCc2cc(F)ccc21 ZINC001573341811 947537066 /nfs/dbraw/zinc/53/70/66/947537066.db2.gz QPEHFFYNCPVSOR-IBGZPJMESA-N -1 3 377.423 3.250 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001573342112 947538018 /nfs/dbraw/zinc/53/80/18/947538018.db2.gz UCDMXQLOIZHZKQ-UHFFFAOYSA-N -1 3 396.382 3.051 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001573342112 947538028 /nfs/dbraw/zinc/53/80/28/947538028.db2.gz UCDMXQLOIZHZKQ-UHFFFAOYSA-N -1 3 396.382 3.051 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccc2cnccc21 ZINC001573342279 947538971 /nfs/dbraw/zinc/53/89/71/947538971.db2.gz WFTZQZZEJOPLBI-UHFFFAOYSA-N -1 3 384.443 3.172 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccc2cnccc21 ZINC001573342279 947538979 /nfs/dbraw/zinc/53/89/79/947538979.db2.gz WFTZQZZEJOPLBI-UHFFFAOYSA-N -1 3 384.443 3.172 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C(C)c1ccc(OC)cc1 ZINC001573342412 947540735 /nfs/dbraw/zinc/54/07/35/947540735.db2.gz XPNXGBHOVZCWLH-DTQAZKPQSA-N -1 3 389.459 3.493 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C(C)c1ccc(OC)cc1 ZINC001573342412 947540744 /nfs/dbraw/zinc/54/07/44/947540744.db2.gz XPNXGBHOVZCWLH-DTQAZKPQSA-N -1 3 389.459 3.493 20 30 GGEDHM C=CC[S@](=O)(=NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC001573347715 947577589 /nfs/dbraw/zinc/57/75/89/947577589.db2.gz GXNDGJFNPOELPZ-MUUNZHRXSA-N -1 3 393.472 3.138 20 30 GGEDHM C=CC[S@](=O)(=NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC001573347715 947577601 /nfs/dbraw/zinc/57/76/01/947577601.db2.gz GXNDGJFNPOELPZ-MUUNZHRXSA-N -1 3 393.472 3.138 20 30 GGEDHM C=CCc1cc(OC)ccc1OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001573348035 947580097 /nfs/dbraw/zinc/58/00/97/947580097.db2.gz LOWQZKPEZVJKEF-ZWKOTPCHSA-N -1 3 376.416 3.313 20 30 GGEDHM C=CCc1cc(OC)ccc1OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001573348035 947580107 /nfs/dbraw/zinc/58/01/07/947580107.db2.gz LOWQZKPEZVJKEF-ZWKOTPCHSA-N -1 3 376.416 3.313 20 30 GGEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001573348964 947589397 /nfs/dbraw/zinc/58/93/97/947589397.db2.gz XJDOYMFNSKZYFJ-WMLDXEAASA-N -1 3 376.468 3.080 20 30 GGEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001573348964 947589405 /nfs/dbraw/zinc/58/94/05/947589405.db2.gz XJDOYMFNSKZYFJ-WMLDXEAASA-N -1 3 376.468 3.080 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C(C)C)C2 ZINC001573350481 947598728 /nfs/dbraw/zinc/59/87/28/947598728.db2.gz CDHYWMOWZQGILH-SCRDCRAPSA-N -1 3 387.509 3.219 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)C)C2 ZINC001573350481 947598736 /nfs/dbraw/zinc/59/87/36/947598736.db2.gz CDHYWMOWZQGILH-SCRDCRAPSA-N -1 3 387.509 3.219 20 30 GGEDHM CC#CCN(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC001573358202 947659182 /nfs/dbraw/zinc/65/91/82/947659182.db2.gz HSVWRFVYJCGWOF-UHFFFAOYSA-N -1 3 394.410 3.072 20 30 GGEDHM CC#CCN(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC001573358202 947659190 /nfs/dbraw/zinc/65/91/90/947659190.db2.gz HSVWRFVYJCGWOF-UHFFFAOYSA-N -1 3 394.410 3.072 20 30 GGEDHM CC[C@]1(C(=O)[O-])CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC001589605992 949269398 /nfs/dbraw/zinc/26/93/98/949269398.db2.gz YJAKKKHOEHXVQZ-QRWLVFNGSA-N -1 3 375.444 3.038 20 30 GGEDHM CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)CC1 ZINC001573824394 949850025 /nfs/dbraw/zinc/85/00/25/949850025.db2.gz DWXVKWLGBFEPLC-UHFFFAOYSA-N -1 3 387.875 3.144 20 30 GGEDHM CC(C)(C)Oc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)cc1C#N ZINC001573876004 950658444 /nfs/dbraw/zinc/65/84/44/950658444.db2.gz BJHRCPVJACKGNH-UHFFFAOYSA-N -1 3 397.826 3.216 20 30 GGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001573881849 950761223 /nfs/dbraw/zinc/76/12/23/950761223.db2.gz JBHJGYUYNREPNP-QGZVFWFLSA-N -1 3 378.411 3.298 20 30 GGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001573881849 950761237 /nfs/dbraw/zinc/76/12/37/950761237.db2.gz JBHJGYUYNREPNP-QGZVFWFLSA-N -1 3 378.411 3.298 20 30 GGEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC001575187688 952444105 /nfs/dbraw/zinc/44/41/05/952444105.db2.gz DWXYPTHVAPVPQS-ZDUSSCGKSA-N -1 3 383.415 3.104 20 30 GGEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC001575187688 952444110 /nfs/dbraw/zinc/44/41/10/952444110.db2.gz DWXYPTHVAPVPQS-ZDUSSCGKSA-N -1 3 383.415 3.104 20 30 GGEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593700483 954108678 /nfs/dbraw/zinc/10/86/78/954108678.db2.gz WTOBFTJXZGOPOS-UHFFFAOYSA-N -1 3 394.475 3.171 20 30 GGEDHM N#Cc1ccccc1CSCCNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001594632159 956350297 /nfs/dbraw/zinc/35/02/97/956350297.db2.gz RXMXJVWRYVVQHV-QGZVFWFLSA-N -1 3 399.516 3.475 20 30 GGEDHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC001573822087 960967810 /nfs/dbraw/zinc/96/78/10/960967810.db2.gz CWSFSTNQFOOCST-HXUWFJFHSA-N -1 3 391.899 3.472 20 30 GGEDHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC001573822086 960968291 /nfs/dbraw/zinc/96/82/91/960968291.db2.gz CWSFSTNQFOOCST-FQEVSTJZSA-N -1 3 391.899 3.472 20 30 GGEDHM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(Cc3ccc(C#N)cc3C(F)(F)F)C2)cn1 ZINC000873646203 969361470 /nfs/dbraw/zinc/36/14/70/969361470.db2.gz YMZOZBDLBMYIPW-GJZGRUSLSA-N -1 3 392.381 3.001 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001592225941 977413763 /nfs/dbraw/zinc/41/37/63/977413763.db2.gz QECFQPDZJCXGFK-MMMWYMCRSA-N -1 3 387.505 3.204 20 30 GGEDHM C#C[C@H](NCc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1)C1CCOCC1 ZINC001588377706 983358407 /nfs/dbraw/zinc/35/84/07/983358407.db2.gz PXLQUOHDOIIRQB-SFHVURJKSA-N -1 3 399.443 3.083 20 30 GGEDHM C#CCN(C)CCCNC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001588463716 983491785 /nfs/dbraw/zinc/49/17/85/983491785.db2.gz IJBGZFPZLZXSQL-UHFFFAOYSA-N -1 3 395.459 3.040 20 30 GGEDHM C#CCN(Cc1ccsc1C(=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001588471480 983506661 /nfs/dbraw/zinc/50/66/61/983506661.db2.gz QMBZPVBQNGHGPE-UHFFFAOYSA-N -1 3 378.494 3.281 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001588831731 984316291 /nfs/dbraw/zinc/31/62/91/984316291.db2.gz MHKMGBFIJLPNTA-JTSKRJEESA-N -1 3 398.528 3.380 20 30 GGEDHM C=CCOC[C@@H](NCc1cc(F)ccc1Oc1cncc(Cl)c1)C(=O)[O-] ZINC001588866400 984425024 /nfs/dbraw/zinc/42/50/24/984425024.db2.gz OJJPBXAVZCGROP-MRXNPFEDSA-N -1 3 380.803 3.412 20 30 GGEDHM C=CCn1c(CCN2CCCCC2)nnc1SCc1occc1C(=O)[O-] ZINC001588900720 984522260 /nfs/dbraw/zinc/52/22/60/984522260.db2.gz MFGMNQZVDLQNRG-UHFFFAOYSA-N -1 3 376.482 3.076 20 30 GGEDHM CCO[C@@H]1C[C@](NCc2ccc(Br)cc2C#N)(C(=O)[O-])C1(C)C ZINC001596838939 985512964 /nfs/dbraw/zinc/51/29/64/985512964.db2.gz QMSSEEKGXPANRM-PBHICJAKSA-N -1 3 381.270 3.069 20 30 GGEDHM CCO[C@@H]1C[C@@](NCc2ccc(Br)cc2C#N)(C(=O)[O-])C1(C)C ZINC001596838940 985513404 /nfs/dbraw/zinc/51/34/04/985513404.db2.gz QMSSEEKGXPANRM-RHSMWYFYSA-N -1 3 381.270 3.069 20 30 GGEDHM CCOCCCN(Cc1cc(C#N)ccc1Br)C[C@@H](C)C(=O)[O-] ZINC001596914549 985927810 /nfs/dbraw/zinc/92/78/10/985927810.db2.gz ABQBCOCCQHGLEN-CYBMUJFWSA-N -1 3 383.286 3.270 20 30 GGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001589331533 986187274 /nfs/dbraw/zinc/18/72/74/986187274.db2.gz HNUCHCBDLJWHLH-MMMWYMCRSA-N -1 3 387.505 3.062 20 30 GGEDHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCCOc1ccc(C#N)cc1 ZINC001594570766 986397425 /nfs/dbraw/zinc/39/74/25/986397425.db2.gz UUMNTJOFDVBWFA-KRWDZBQOSA-N -1 3 379.460 3.236 20 30 GGEDHM CC(C)(C)OC(=O)N1CCCN(CCC2(C#N)CCCCC2)[C@@H](C(=O)[O-])C1 ZINC001590034619 989048009 /nfs/dbraw/zinc/04/80/09/989048009.db2.gz HSVGUMGTCGSNLF-MRXNPFEDSA-N -1 3 379.501 3.247 20 30 GGEDHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C(=O)[O-])C1 ZINC001590034757 989050785 /nfs/dbraw/zinc/05/07/85/989050785.db2.gz LSQGBBHFBPSZQG-GOSISDBHSA-N -1 3 399.491 3.138 20 30 GGEDHM CC(C)CN(CCC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001591331485 992304921 /nfs/dbraw/zinc/30/49/21/992304921.db2.gz MQDKNJQQOFGRQW-UHFFFAOYSA-N -1 3 377.510 3.260 20 30 GGEDHM C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593217556 994273451 /nfs/dbraw/zinc/27/34/51/994273451.db2.gz AGNLIDRFPBJCNL-OAHLLOKOSA-N -1 3 379.460 3.277 20 30 GGEDHM C[C@H](N[C@@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001593222051 994330123 /nfs/dbraw/zinc/33/01/23/994330123.db2.gz GHTBZVUKJIUDQW-HRAATJIYSA-N -1 3 391.471 3.342 20 30 GGEDHM COc1cccc([C@@H]2[C@H](NCc3cccc(C(=O)[O-])c3C#N)CCN2C2CC2)c1 ZINC001599667413 994753043 /nfs/dbraw/zinc/75/30/43/994753043.db2.gz NOZWSDRTHHBBKV-FGZHOGPDSA-N -1 3 391.471 3.333 20 30 GGEDHM C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001594292509 999128166 /nfs/dbraw/zinc/12/81/66/999128166.db2.gz QIHSAOSOAAOCSC-OKCGCYJWSA-N -1 3 397.519 3.106 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000014236776 207016691 /nfs/dbraw/zinc/01/66/91/207016691.db2.gz WUOGSELPVPUNBM-QGZVFWFLSA-N -1 3 385.464 3.288 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000014234507 207016804 /nfs/dbraw/zinc/01/68/04/207016804.db2.gz YRRZAUMKMRTJIK-QGZVFWFLSA-N -1 3 385.464 3.288 20 30 GGEDHM COc1ccc2c(c1)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCCC2 ZINC000079094141 208073770 /nfs/dbraw/zinc/07/37/70/208073770.db2.gz OWNWUWUFCKUCJO-UHFFFAOYSA-N -1 3 379.460 3.174 20 30 GGEDHM CCOc1cc(Br)c(C=C([O-])NC2=NCCS2)cc1OCC ZINC000057808548 520649668 /nfs/dbraw/zinc/64/96/68/520649668.db2.gz MNFUIEIYQDXSMI-UHFFFAOYSA-N -1 3 387.299 3.008 20 30 GGEDHM CCNC(=O)COc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1OC ZINC000007333226 521738537 /nfs/dbraw/zinc/73/85/37/521738537.db2.gz OZCVCZKTXWCIFD-CJAAZZPWSA-N -1 3 399.418 3.438 20 30 GGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000582055264 566826254 /nfs/dbraw/zinc/82/62/54/566826254.db2.gz YNUCVNZFTZKRIQ-GFCCVEGCSA-N -1 3 397.747 3.416 20 30 GGEDHM C=CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000116852919 564217805 /nfs/dbraw/zinc/21/78/05/564217805.db2.gz LPZQPVBPFHTMBV-SECBINFHSA-N -1 3 377.293 3.129 20 30 GGEDHM C=CCNc1nnc(SCc2nc(=O)c3c(C)c(C(C)=O)sc3[n-]2)s1 ZINC000005754100 564218918 /nfs/dbraw/zinc/21/89/18/564218918.db2.gz DGUBYWXYMICQFR-UHFFFAOYSA-N -1 3 393.519 3.237 20 30 GGEDHM N#Cc1cccc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000011371067 564262693 /nfs/dbraw/zinc/26/26/93/564262693.db2.gz AQEPUSDMTBKVBF-UHFFFAOYSA-N -1 3 398.271 3.172 20 30 GGEDHM C[C@H]1CN(Cc2csc([N-]C(=O)c3ccc([N+](=O)[O-])s3)n2)C[C@H](C)O1 ZINC000022300552 564315996 /nfs/dbraw/zinc/31/59/96/564315996.db2.gz ZPESKBMYACXZIG-UWVGGRQHSA-N -1 3 382.467 3.358 20 30 GGEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c1 ZINC000120804709 564338275 /nfs/dbraw/zinc/33/82/75/564338275.db2.gz VGFFGATVPQTEHT-UHFFFAOYSA-N -1 3 377.422 3.033 20 30 GGEDHM C=CCOc1ccc(CNCC[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000122157370 564402289 /nfs/dbraw/zinc/40/22/89/564402289.db2.gz NDLNCUDIXLDZOU-UHFFFAOYSA-N -1 3 386.926 3.034 20 30 GGEDHM N#CCSCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000032648021 564404390 /nfs/dbraw/zinc/40/43/90/564404390.db2.gz DODNUXBDGRPQOO-UHFFFAOYSA-N -1 3 395.893 3.336 20 30 GGEDHM CC(C)[C@](C)(C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000122225723 564405023 /nfs/dbraw/zinc/40/50/23/564405023.db2.gz QCVOPROJSKQUQR-KRWDZBQOSA-N -1 3 385.917 3.085 20 30 GGEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000122268734 564406623 /nfs/dbraw/zinc/40/66/23/564406623.db2.gz YQANOEWPQZCNII-UHFFFAOYSA-N -1 3 375.397 3.129 20 30 GGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000040363810 564427476 /nfs/dbraw/zinc/42/74/76/564427476.db2.gz DGPCTHRWGXDEKK-SECBINFHSA-N -1 3 396.104 3.182 20 30 GGEDHM C=CCC[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000123076000 564437242 /nfs/dbraw/zinc/43/72/42/564437242.db2.gz WPKYAKZMHKNHPF-GDBMZVCRSA-N -1 3 378.519 3.239 20 30 GGEDHM CC1(C)c2cc(S(=O)(=O)[N-]c3cc(C#N)ccc3Cl)ccc2NC1=O ZINC000123731450 564459563 /nfs/dbraw/zinc/45/95/63/564459563.db2.gz RALPEJIISNJPQX-UHFFFAOYSA-N -1 3 375.837 3.242 20 30 GGEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000123727173 564459740 /nfs/dbraw/zinc/45/97/40/564459740.db2.gz LXIYIRAYVANPDP-UHFFFAOYSA-N -1 3 375.837 3.139 20 30 GGEDHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1[N+](=O)[O-] ZINC000125503245 564516462 /nfs/dbraw/zinc/51/64/62/564516462.db2.gz ZQYVPTSQQYMHBJ-NSHDSACASA-N -1 3 379.825 3.468 20 30 GGEDHM COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Br)cc1[O-] ZINC000125994652 564534178 /nfs/dbraw/zinc/53/41/78/564534178.db2.gz HXQXMLVUGFFMQK-UHFFFAOYSA-N -1 3 377.194 3.052 20 30 GGEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000054178350 564600720 /nfs/dbraw/zinc/60/07/20/564600720.db2.gz WFVXNWBKQFXVNB-SECBINFHSA-N -1 3 396.104 3.182 20 30 GGEDHM C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N=C1[N-]C(=O)CN1 ZINC000057432912 564667580 /nfs/dbraw/zinc/66/75/80/564667580.db2.gz KPSYAHLJRZNBLK-SECBINFHSA-N -1 3 378.841 3.059 20 30 GGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000130446441 564681300 /nfs/dbraw/zinc/68/13/00/564681300.db2.gz BHARJGHVLLUPTD-HZMBPMFUSA-N -1 3 375.263 3.339 20 30 GGEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000130485861 564682883 /nfs/dbraw/zinc/68/28/83/564682883.db2.gz KUDHMMSYVLOBNX-XHDPSFHLSA-N -1 3 387.299 3.208 20 30 GGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000130476002 564682966 /nfs/dbraw/zinc/68/29/66/564682966.db2.gz VQACOQVVVSHBLP-QMTHXVAHSA-N -1 3 375.263 3.339 20 30 GGEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000130486281 564683035 /nfs/dbraw/zinc/68/30/35/564683035.db2.gz KUDHMMSYVLOBNX-NHYWBVRUSA-N -1 3 387.299 3.208 20 30 GGEDHM Cc1cc(Br)c([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1Cl ZINC000132215685 564736818 /nfs/dbraw/zinc/73/68/18/564736818.db2.gz DYHVTHKNFNVLBI-UHFFFAOYSA-N -1 3 386.658 3.478 20 30 GGEDHM N#Cc1ccc(F)c(CNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000132806516 564753823 /nfs/dbraw/zinc/75/38/23/564753823.db2.gz HSHLTHNEFOOFMH-UHFFFAOYSA-N -1 3 378.201 3.165 20 30 GGEDHM CCN(CCC#N)C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000133259954 564767354 /nfs/dbraw/zinc/76/73/54/564767354.db2.gz QMYWFKQGYSKAKJ-UHFFFAOYSA-N -1 3 383.539 3.125 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000066856493 564776744 /nfs/dbraw/zinc/77/67/44/564776744.db2.gz VEUYFMMODUBQGJ-GFCCVEGCSA-N -1 3 395.531 3.059 20 30 GGEDHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000098052268 564912690 /nfs/dbraw/zinc/91/26/90/564912690.db2.gz BIUGADBUGQRLLB-UHFFFAOYSA-N -1 3 377.853 3.151 20 30 GGEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000103058552 564942201 /nfs/dbraw/zinc/94/22/01/564942201.db2.gz OZSFZGQKBPGNQN-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM CN(CCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC(F)(F)F ZINC000103154930 564944042 /nfs/dbraw/zinc/94/40/42/564944042.db2.gz JNKJTEWLFSDNGN-UHFFFAOYSA-N -1 3 396.328 3.007 20 30 GGEDHM Cc1nc(C)c(CCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000108818874 565017560 /nfs/dbraw/zinc/01/75/60/565017560.db2.gz ZVWORAXMHDKYRM-CQSZACIVSA-N -1 3 379.247 3.007 20 30 GGEDHM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000154206289 565029255 /nfs/dbraw/zinc/02/92/55/565029255.db2.gz GVFUOJVLYXOHSI-LLVKDONJSA-N -1 3 375.450 3.217 20 30 GGEDHM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000154196774 565029724 /nfs/dbraw/zinc/02/97/24/565029724.db2.gz OMZWENYEHYSNFD-LLVKDONJSA-N -1 3 375.450 3.217 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)c(Cl)c1 ZINC000183628636 565083639 /nfs/dbraw/zinc/08/36/39/565083639.db2.gz CZOFNCKRCWQXBL-UHFFFAOYSA-N -1 3 381.910 3.068 20 30 GGEDHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000183649201 565084883 /nfs/dbraw/zinc/08/48/83/565084883.db2.gz YHXYHRNXWHRGEK-UHFFFAOYSA-N -1 3 383.926 3.487 20 30 GGEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000267447235 565118682 /nfs/dbraw/zinc/11/86/82/565118682.db2.gz KMDLQBXBFXUBGO-UHFFFAOYSA-N -1 3 392.213 3.433 20 30 GGEDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000184220668 565119824 /nfs/dbraw/zinc/11/98/24/565119824.db2.gz SORNHIABQNSQAF-OAHLLOKOSA-N -1 3 381.885 3.166 20 30 GGEDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000267535625 565120885 /nfs/dbraw/zinc/12/08/85/565120885.db2.gz SOALPIILCPSUDP-SECBINFHSA-N -1 3 375.397 3.382 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000184304315 565126145 /nfs/dbraw/zinc/12/61/45/565126145.db2.gz URWBVXFIPZHYCG-FUHWJXTLSA-N -1 3 376.865 3.410 20 30 GGEDHM [O-]C(=NOCCC(F)(F)F)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000157339146 565128420 /nfs/dbraw/zinc/12/84/20/565128420.db2.gz SHKSZWLDKQZBCR-UHFFFAOYSA-N -1 3 379.232 3.366 20 30 GGEDHM O=C([N-]OCCC(F)(F)F)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000157339146 565128423 /nfs/dbraw/zinc/12/84/23/565128423.db2.gz SHKSZWLDKQZBCR-UHFFFAOYSA-N -1 3 379.232 3.366 20 30 GGEDHM COCC1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000292684429 565129251 /nfs/dbraw/zinc/12/92/51/565129251.db2.gz CAVJYFVKJCFOAX-UHFFFAOYSA-N -1 3 376.400 3.062 20 30 GGEDHM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(Br)c1 ZINC000158123669 565157306 /nfs/dbraw/zinc/15/73/06/565157306.db2.gz TXOFRMRATIZKTM-UHFFFAOYSA-N -1 3 385.214 3.269 20 30 GGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000184867019 565162387 /nfs/dbraw/zinc/16/23/87/565162387.db2.gz PRJAHPALNPQUND-UHFFFAOYSA-N -1 3 385.214 3.269 20 30 GGEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000184952967 565167228 /nfs/dbraw/zinc/16/72/28/565167228.db2.gz RCOFASLUUJOVHM-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000158717183 565179038 /nfs/dbraw/zinc/17/90/38/565179038.db2.gz BMWCKBOSPNDDID-NSHDSACASA-N -1 3 378.837 3.038 20 30 GGEDHM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000185172113 565182853 /nfs/dbraw/zinc/18/28/53/565182853.db2.gz HJFAUZBPUHTFSR-BBRMVZONSA-N -1 3 378.881 3.045 20 30 GGEDHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000185172153 565183209 /nfs/dbraw/zinc/18/32/09/565183209.db2.gz HJFAUZBPUHTFSR-XJKSGUPXSA-N -1 3 378.881 3.045 20 30 GGEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000185643702 565213642 /nfs/dbraw/zinc/21/36/42/565213642.db2.gz KAKSHYNXAKKDJW-UHFFFAOYSA-N -1 3 378.475 3.193 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000185893130 565227401 /nfs/dbraw/zinc/22/74/01/565227401.db2.gz IOGXZOKVLQEILZ-DOTOQJQBSA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(Br)c2)c1 ZINC000160710474 565256621 /nfs/dbraw/zinc/25/66/21/565256621.db2.gz CHZWDYGPRWOODT-UHFFFAOYSA-N -1 3 385.670 3.453 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(Br)cc2)c1 ZINC000160710342 565257198 /nfs/dbraw/zinc/25/71/98/565257198.db2.gz GMQSXHPWAHGSKF-UHFFFAOYSA-N -1 3 385.670 3.453 20 30 GGEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000160835095 565260248 /nfs/dbraw/zinc/26/02/48/565260248.db2.gz BPOCJLDXDDLRFK-NSHDSACASA-N -1 3 386.296 3.153 20 30 GGEDHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000271644640 565262703 /nfs/dbraw/zinc/26/27/03/565262703.db2.gz GZDUZJFEPQXBBG-TZMCWYRMSA-N -1 3 376.400 3.059 20 30 GGEDHM O=C(CNCC(F)(F)F)[N-][C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000272470991 565289136 /nfs/dbraw/zinc/28/91/36/565289136.db2.gz RRJPYRKQCGUJBG-SNVBAGLBSA-N -1 3 380.235 3.160 20 30 GGEDHM CC[C@H](C)[N-]C(=S)C(C(=O)c1c(C)noc1C)[n+]1cc([O-])cc(Cl)c1 ZINC000186964986 565299397 /nfs/dbraw/zinc/29/93/97/565299397.db2.gz LPLHSMGVTAWELJ-VIFPVBQESA-O -1 3 382.893 3.265 20 30 GGEDHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000273542638 565325204 /nfs/dbraw/zinc/32/52/04/565325204.db2.gz UGIZYWXBTLONRJ-SECBINFHSA-N -1 3 389.424 3.424 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000163351667 565343699 /nfs/dbraw/zinc/34/36/99/565343699.db2.gz MUVOFYYCOCYPBD-IRXDYDNUSA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000163351440 565343967 /nfs/dbraw/zinc/34/39/67/565343967.db2.gz MUVOFYYCOCYPBD-SJORKVTESA-N -1 3 376.865 3.410 20 30 GGEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000187767688 565353457 /nfs/dbraw/zinc/35/34/57/565353457.db2.gz QXCOAZCJZLEJHK-HUUCEWRRSA-N -1 3 386.901 3.258 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc(Br)cn1 ZINC000298873683 565432113 /nfs/dbraw/zinc/43/21/13/565432113.db2.gz WGYDKWWVNRFJKI-UHFFFAOYSA-N -1 3 389.253 3.029 20 30 GGEDHM C=CCCN(C)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000276134251 565437585 /nfs/dbraw/zinc/43/75/85/565437585.db2.gz DDQXZIXKAGYSIG-UHFFFAOYSA-N -1 3 377.293 3.082 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000189035823 565439133 /nfs/dbraw/zinc/43/91/33/565439133.db2.gz SAWCSXSXVNVEFE-ACJLOTCBSA-N -1 3 377.897 3.181 20 30 GGEDHM C[C@H](c1ccc(C#N)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000172395268 565483939 /nfs/dbraw/zinc/48/39/39/565483939.db2.gz BYTDQHNTYZYQOK-CQSZACIVSA-N -1 3 375.519 3.124 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3cccc(Br)c3)C2)c1[O-] ZINC000278193344 565544287 /nfs/dbraw/zinc/54/42/87/565544287.db2.gz GKSGXZIQZRNBEJ-PZEXIZOFSA-N -1 3 390.281 3.048 20 30 GGEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)N(C)Cc1ccccc1 ZINC000390750171 565557569 /nfs/dbraw/zinc/55/75/69/565557569.db2.gz COANLTFDKZPGNR-AWEZNQCLSA-N -1 3 377.897 3.010 20 30 GGEDHM O=C(CC(=O)NCC(F)(F)F)[N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000278833348 565580009 /nfs/dbraw/zinc/58/00/09/565580009.db2.gz QJHUOJPTEBYFIA-NSHDSACASA-N -1 3 394.674 3.267 20 30 GGEDHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)cc1Cl ZINC000173742106 565581308 /nfs/dbraw/zinc/58/13/08/565581308.db2.gz RLETZCHYCVPHRZ-UHFFFAOYSA-N -1 3 389.235 3.491 20 30 GGEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000173741624 565581507 /nfs/dbraw/zinc/58/15/07/565581507.db2.gz UUUZGIDTPGFEKQ-UHFFFAOYSA-N -1 3 376.306 3.334 20 30 GGEDHM N#CC1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1 ZINC000408275416 565601973 /nfs/dbraw/zinc/60/19/73/565601973.db2.gz ZBZIJQXSCXJJBS-UHFFFAOYSA-N -1 3 394.656 3.320 20 30 GGEDHM N#CC1CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CC1 ZINC000408275416 565601977 /nfs/dbraw/zinc/60/19/77/565601977.db2.gz ZBZIJQXSCXJJBS-UHFFFAOYSA-N -1 3 394.656 3.320 20 30 GGEDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000409485235 565618551 /nfs/dbraw/zinc/61/85/51/565618551.db2.gz NORRWJWWDHAKCW-SECBINFHSA-N -1 3 375.397 3.382 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1 ZINC000329276924 565661898 /nfs/dbraw/zinc/66/18/98/565661898.db2.gz LKCFGYLIHLTQOZ-LBPRGKRZSA-N -1 3 399.310 3.091 20 30 GGEDHM O=C(CNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1)C1CC1 ZINC000329354065 565664153 /nfs/dbraw/zinc/66/41/53/565664153.db2.gz YHODDSHYGNVMOF-UHFFFAOYSA-N -1 3 384.523 3.033 20 30 GGEDHM C=CC[C@@H](CC)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000410141935 565666328 /nfs/dbraw/zinc/66/63/28/565666328.db2.gz WYJYPHXRQANCHM-LLVKDONJSA-N -1 3 379.309 3.133 20 30 GGEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCc2cccs2)CCCC1 ZINC000329695277 565676571 /nfs/dbraw/zinc/67/65/71/565676571.db2.gz BHJMWPBCSOUIFV-UHFFFAOYSA-N -1 3 383.495 3.101 20 30 GGEDHM N#CC1(CCN2CCC([N-]S(=O)(=O)c3cccs3)CC2)CCCCC1 ZINC000411135705 565714337 /nfs/dbraw/zinc/71/43/37/565714337.db2.gz IGWYIOMTGOIDIA-UHFFFAOYSA-N -1 3 381.567 3.355 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000192863391 565715154 /nfs/dbraw/zinc/71/51/54/565715154.db2.gz KQXNBUXHOKKFCS-UGSOOPFHSA-N -1 3 377.897 3.181 20 30 GGEDHM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000330797687 565724090 /nfs/dbraw/zinc/72/40/90/565724090.db2.gz HPQPXUYGAFFKIB-KWQFWETISA-N -1 3 397.216 3.438 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000281547961 565736012 /nfs/dbraw/zinc/73/60/12/565736012.db2.gz SOLWWJRVVDQVOF-HLTRUZGLSA-N -1 3 396.281 3.274 20 30 GGEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000176205159 565757190 /nfs/dbraw/zinc/75/71/90/565757190.db2.gz GZRRMNUDTXJMIG-UHFFFAOYSA-N -1 3 375.837 3.287 20 30 GGEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332172894 565812783 /nfs/dbraw/zinc/81/27/83/565812783.db2.gz QGNOFDLFTZWWGP-ISVAXAHUSA-N -1 3 394.656 3.366 20 30 GGEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000332172894 565812788 /nfs/dbraw/zinc/81/27/88/565812788.db2.gz QGNOFDLFTZWWGP-ISVAXAHUSA-N -1 3 394.656 3.366 20 30 GGEDHM N#CCCCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194775769 565836599 /nfs/dbraw/zinc/83/65/99/565836599.db2.gz FAGNHZRVHNKVEM-UHFFFAOYSA-N -1 3 385.205 3.440 20 30 GGEDHM Cc1noc(C)c1C(=O)C(C(=S)[N-]C1(C)CC1)[n+]1cc([O-])cc(Cl)c1 ZINC000284401334 565852987 /nfs/dbraw/zinc/85/29/87/565852987.db2.gz MZPYETRVNIDRKZ-UHFFFAOYSA-O -1 3 380.877 3.019 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1nccs1 ZINC000177660264 565865545 /nfs/dbraw/zinc/86/55/45/565865545.db2.gz LMIAYYUGGKYUGY-UHFFFAOYSA-N -1 3 375.397 3.247 20 30 GGEDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000177669635 565866517 /nfs/dbraw/zinc/86/65/17/565866517.db2.gz NYBIIXRWIKKPSH-VIFPVBQESA-N -1 3 375.397 3.382 20 30 GGEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000285098463 565887647 /nfs/dbraw/zinc/88/76/47/565887647.db2.gz NHQACGDHULYETA-MRXNPFEDSA-N -1 3 388.461 3.140 20 30 GGEDHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)CC1 ZINC000414372716 565917306 /nfs/dbraw/zinc/91/73/06/565917306.db2.gz KQXMHVGOFUJFDI-CYBMUJFWSA-N -1 3 382.507 3.166 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1nc2c(s1)CCCC2 ZINC000178530544 565924317 /nfs/dbraw/zinc/92/43/17/565924317.db2.gz DEFROELQOLOHIT-UHFFFAOYSA-N -1 3 381.910 3.068 20 30 GGEDHM O=S(=O)([N-]C1CCN(CC#Cc2cccc(Cl)c2)CC1)c1cccs1 ZINC000178533492 565924586 /nfs/dbraw/zinc/92/45/86/565924586.db2.gz PXNFOLVCMKFHCY-UHFFFAOYSA-N -1 3 394.949 3.196 20 30 GGEDHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000286650835 565973053 /nfs/dbraw/zinc/97/30/53/565973053.db2.gz JNXTXQMOOPGMCE-UHFFFAOYSA-N -1 3 398.282 3.139 20 30 GGEDHM Cc1nc(C)c(CCC(=O)Nc2cccc(C#N)c2Br)c(=O)[n-]1 ZINC000416075873 566033638 /nfs/dbraw/zinc/03/36/38/566033638.db2.gz GCAVNTBXIDHBTR-UHFFFAOYSA-N -1 3 375.226 3.005 20 30 GGEDHM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000180142586 566036509 /nfs/dbraw/zinc/03/65/09/566036509.db2.gz JSEBABXDGNKKOB-BBRMVZONSA-N -1 3 378.881 3.045 20 30 GGEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000180187574 566042775 /nfs/dbraw/zinc/04/27/75/566042775.db2.gz ULFFNSZBVVUFGK-INIZCTEOSA-N -1 3 386.807 3.156 20 30 GGEDHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416376269 566059680 /nfs/dbraw/zinc/05/96/80/566059680.db2.gz VHBJORQACLPYPK-NSHDSACASA-N -1 3 383.267 3.213 20 30 GGEDHM CSCCCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416464756 566071698 /nfs/dbraw/zinc/07/16/98/566071698.db2.gz IZFZVWRTCQREJC-UHFFFAOYSA-N -1 3 377.329 3.132 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(CO)CCCC2)s1 ZINC000416506628 566078921 /nfs/dbraw/zinc/07/89/21/566078921.db2.gz GXMDJSAQHLLNCR-KRWDZBQOSA-N -1 3 376.503 3.192 20 30 GGEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000416520957 566080133 /nfs/dbraw/zinc/08/01/33/566080133.db2.gz HOOOFSNNSWFSKA-SECBINFHSA-N -1 3 379.226 3.034 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)cc1 ZINC000180759175 566086152 /nfs/dbraw/zinc/08/61/52/566086152.db2.gz CUPXHFQFDZNEOY-CQSZACIVSA-N -1 3 376.306 3.418 20 30 GGEDHM N#Cc1cccc(S(=O)(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000180759345 566086490 /nfs/dbraw/zinc/08/64/90/566086490.db2.gz WYUCYMFYYRJBCN-AWEZNQCLSA-N -1 3 376.306 3.418 20 30 GGEDHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)CC(F)(F)F ZINC000416595530 566093025 /nfs/dbraw/zinc/09/30/25/566093025.db2.gz FBKLBWQNPQQNEW-QMMMGPOBSA-N -1 3 385.205 3.188 20 30 GGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000416965482 566115968 /nfs/dbraw/zinc/11/59/68/566115968.db2.gz XPMGEYRYCXDJAG-MHECFPHRSA-N -1 3 376.503 3.179 20 30 GGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1Br ZINC000416961901 566116201 /nfs/dbraw/zinc/11/62/01/566116201.db2.gz SUPDFHFLBLAZQF-QMMMGPOBSA-N -1 3 387.177 3.392 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000181598812 566151256 /nfs/dbraw/zinc/15/12/56/566151256.db2.gz FJRKQJUARZBENU-DOTOQJQBSA-N -1 3 380.828 3.159 20 30 GGEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000290929879 566196087 /nfs/dbraw/zinc/19/60/87/566196087.db2.gz JRULARLXCRWDLK-LLVKDONJSA-N -1 3 383.720 3.026 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3ccc(Br)cc3)C2)c1[O-] ZINC000264010529 566204904 /nfs/dbraw/zinc/20/49/04/566204904.db2.gz OJNZTYWBJZTDLP-PZEXIZOFSA-N -1 3 390.281 3.048 20 30 GGEDHM Cc1nc(C)c(CCC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000264886282 566226931 /nfs/dbraw/zinc/22/69/31/566226931.db2.gz DLVJJONMOVGMEM-CQSZACIVSA-N -1 3 379.247 3.420 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c(Cl)c1 ZINC000183002001 566234466 /nfs/dbraw/zinc/23/44/66/566234466.db2.gz CNNWYWJJGYZEQI-UHFFFAOYSA-N -1 3 385.228 3.437 20 30 GGEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CC#N)c(Br)c1 ZINC000462153107 566256874 /nfs/dbraw/zinc/25/68/74/566256874.db2.gz WDTDGDMLUBMQII-QMMMGPOBSA-N -1 3 396.104 3.101 20 30 GGEDHM Cc1cc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)ccc1F ZINC000555947474 566263751 /nfs/dbraw/zinc/26/37/51/566263751.db2.gz RVXFDZCLOMODMK-UHFFFAOYSA-N -1 3 383.242 3.247 20 30 GGEDHM O=S(=O)([N-]c1ccncc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000481981921 566272168 /nfs/dbraw/zinc/27/21/68/566272168.db2.gz FAIIDGRXBSTHRF-UHFFFAOYSA-N -1 3 388.264 3.481 20 30 GGEDHM C=CCN(CCc1ccco1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482144838 566286646 /nfs/dbraw/zinc/28/66/46/566286646.db2.gz WQDABIUMNVFDQI-UHFFFAOYSA-N -1 3 389.253 3.374 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nc(-c2cccs2)c[nH]1 ZINC000556393448 566295465 /nfs/dbraw/zinc/29/54/65/566295465.db2.gz PBGOBZORLIMFMB-UHFFFAOYSA-N -1 3 378.866 3.142 20 30 GGEDHM C=CC(C)(C)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000625328097 566307211 /nfs/dbraw/zinc/30/72/11/566307211.db2.gz PPUGLZCSQQCPTI-UHFFFAOYSA-N -1 3 388.555 3.109 20 30 GGEDHM N#C[C@@H]1N(C(=O)Cc2ccc(Br)cc2[O-])CCC[C@@]12CCCCO2 ZINC000509655998 566326970 /nfs/dbraw/zinc/32/69/70/566326970.db2.gz FFCFRLUVCAQRFN-WMZOPIPTSA-N -1 3 393.281 3.151 20 30 GGEDHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(C#N)c1Br ZINC000421166454 566353198 /nfs/dbraw/zinc/35/31/98/566353198.db2.gz PTOAXADWVHJSEG-GFCCVEGCSA-N -1 3 375.288 3.124 20 30 GGEDHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000536124959 566353834 /nfs/dbraw/zinc/35/38/34/566353834.db2.gz BOIZJCJXPVAXLW-GTNSWQLSSA-N -1 3 382.844 3.405 20 30 GGEDHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000536124960 566353979 /nfs/dbraw/zinc/35/39/79/566353979.db2.gz BOIZJCJXPVAXLW-PIGZYNQJSA-N -1 3 382.844 3.405 20 30 GGEDHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000421237453 566359334 /nfs/dbraw/zinc/35/93/34/566359334.db2.gz RDCQERDPYGBICJ-LSDHHAIUSA-N -1 3 378.416 3.251 20 30 GGEDHM COc1ccsc1S(=O)(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000536555705 566382390 /nfs/dbraw/zinc/38/23/90/566382390.db2.gz OCCQMPUCQHARCN-NSHDSACASA-N -1 3 376.381 3.319 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)c(Cl)c2)s1 ZINC000510519716 566390889 /nfs/dbraw/zinc/39/08/89/566390889.db2.gz ISPPFYFJESGOIN-ZDUSSCGKSA-N -1 3 391.301 3.329 20 30 GGEDHM Cc1cc(C)c(C#N)c(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000557695161 566409187 /nfs/dbraw/zinc/40/91/87/566409187.db2.gz UOSWWDOIQIXPAL-UHFFFAOYSA-N -1 3 399.303 3.267 20 30 GGEDHM Cc1nsc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1C#N ZINC000557691568 566409377 /nfs/dbraw/zinc/40/93/77/566409377.db2.gz DLZPXDUIHGPQPF-UHFFFAOYSA-N -1 3 391.305 3.020 20 30 GGEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)Oc1ccccc1 ZINC000557820034 566421878 /nfs/dbraw/zinc/42/18/78/566421878.db2.gz MRMWGKKLMVLYPT-GFCCVEGCSA-N -1 3 395.278 3.067 20 30 GGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000537181822 566428812 /nfs/dbraw/zinc/42/88/12/566428812.db2.gz NNFRXAOGERFYCB-NSHDSACASA-N -1 3 390.299 3.259 20 30 GGEDHM N#Cc1ccc(C2(C(=O)N=c3cc4ccc(Br)cn4[n-]3)CC2)cc1 ZINC000511333660 566455616 /nfs/dbraw/zinc/45/56/16/566455616.db2.gz MYSGIBFEJXKUNV-UHFFFAOYSA-N -1 3 381.233 3.061 20 30 GGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000464213593 566455890 /nfs/dbraw/zinc/45/58/90/566455890.db2.gz HXFOQLCBRSAYDK-QWHCGFSZSA-N -1 3 376.400 3.214 20 30 GGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000464213591 566456026 /nfs/dbraw/zinc/45/60/26/566456026.db2.gz HXFOQLCBRSAYDK-CHWSQXEVSA-N -1 3 376.400 3.214 20 30 GGEDHM C[C@@H](Sc1cccc(F)c1C#N)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000577692401 566456719 /nfs/dbraw/zinc/45/67/19/566456719.db2.gz JNVDTBWYGWGRDQ-LLVKDONJSA-N -1 3 378.450 3.432 20 30 GGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000464213595 566456703 /nfs/dbraw/zinc/45/67/03/566456703.db2.gz HXFOQLCBRSAYDK-STQMWFEESA-N -1 3 376.400 3.214 20 30 GGEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000464414700 566473681 /nfs/dbraw/zinc/47/36/81/566473681.db2.gz NIVIVIZHMQYDAM-AWEZNQCLSA-N -1 3 393.278 3.203 20 30 GGEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1cccs1 ZINC000558440766 566473366 /nfs/dbraw/zinc/47/33/66/566473366.db2.gz NFNYRSPQNNHBEI-HNNXBMFYSA-N -1 3 384.910 3.311 20 30 GGEDHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000538282470 566503436 /nfs/dbraw/zinc/50/34/36/566503436.db2.gz GJRMGNYGAYEFFN-PBHICJAKSA-N -1 3 376.865 3.445 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651685927 566551503 /nfs/dbraw/zinc/55/15/03/566551503.db2.gz JOWCBSCKZBXZQV-CMPLNLGQSA-N -1 3 380.329 3.079 20 30 GGEDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000578876387 566562335 /nfs/dbraw/zinc/56/23/35/566562335.db2.gz SCAHYELIRHTKHN-STQMWFEESA-N -1 3 389.340 3.273 20 30 GGEDHM Cc1cc(CNCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)ccc1C#N ZINC000512862274 566563857 /nfs/dbraw/zinc/56/38/57/566563857.db2.gz SPMVAXYOTQKELG-UHFFFAOYSA-N -1 3 398.315 3.242 20 30 GGEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000604468095 566566233 /nfs/dbraw/zinc/56/62/33/566566233.db2.gz JRLPBTBBKYXBNW-UHFFFAOYSA-N -1 3 387.299 3.353 20 30 GGEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(Cl)c1 ZINC000486512630 566594820 /nfs/dbraw/zinc/59/48/20/566594820.db2.gz ZTZVHPZEDUJWKJ-UHFFFAOYSA-N -1 3 384.200 3.100 20 30 GGEDHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@]1(C#N)CCc2ccccc2C1 ZINC000486579178 566601103 /nfs/dbraw/zinc/60/11/03/566601103.db2.gz ZMCVUAZOOCBSTG-GOSISDBHSA-N -1 3 376.865 3.078 20 30 GGEDHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000540483918 566653267 /nfs/dbraw/zinc/65/32/67/566653267.db2.gz WQXOLLPXFDXLAZ-GTNSWQLSSA-N -1 3 382.844 3.405 20 30 GGEDHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000540483919 566653373 /nfs/dbraw/zinc/65/33/73/566653373.db2.gz WQXOLLPXFDXLAZ-PIGZYNQJSA-N -1 3 382.844 3.405 20 30 GGEDHM Cc1ccccc1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000580002960 566656794 /nfs/dbraw/zinc/65/67/94/566656794.db2.gz YYKGFQHTKJZRKT-UHFFFAOYSA-N -1 3 383.242 3.247 20 30 GGEDHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)s1 ZINC000487268474 566660419 /nfs/dbraw/zinc/66/04/19/566660419.db2.gz CSKMMQXFFJXXCU-UHFFFAOYSA-N -1 3 389.380 3.262 20 30 GGEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CCOCC1 ZINC000467780157 566665657 /nfs/dbraw/zinc/66/56/57/566665657.db2.gz LPSGVFMITJZLSY-AWEZNQCLSA-N -1 3 376.400 3.061 20 30 GGEDHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000467794823 566667865 /nfs/dbraw/zinc/66/78/65/566667865.db2.gz AFLIWFLKEXTKSF-CQSZACIVSA-N -1 3 378.416 3.307 20 30 GGEDHM COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000561110494 566676698 /nfs/dbraw/zinc/67/66/98/566676698.db2.gz GKWWUIYRYTYLKX-HOCLYGCPSA-N -1 3 376.865 3.302 20 30 GGEDHM N#Cc1ccc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)[nH]1 ZINC000580301953 566680886 /nfs/dbraw/zinc/68/08/86/566680886.db2.gz DCRCVSHDRKHSRB-UHFFFAOYSA-N -1 3 382.181 3.151 20 30 GGEDHM N#Cc1ccc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)[nH]1 ZINC000580301953 566680890 /nfs/dbraw/zinc/68/08/90/566680890.db2.gz DCRCVSHDRKHSRB-UHFFFAOYSA-N -1 3 382.181 3.151 20 30 GGEDHM N#Cc1ccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)[nH]1 ZINC000580301953 566680894 /nfs/dbraw/zinc/68/08/94/566680894.db2.gz DCRCVSHDRKHSRB-UHFFFAOYSA-N -1 3 382.181 3.151 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)c(Cl)c1 ZINC000540938709 566683559 /nfs/dbraw/zinc/68/35/59/566683559.db2.gz GTWKIMDJRFTWOR-UHFFFAOYSA-N -1 3 376.865 3.196 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Br)cc1O ZINC000515078313 566691530 /nfs/dbraw/zinc/69/15/30/566691530.db2.gz OUZGNCTXGCOYAW-UHFFFAOYSA-N -1 3 390.237 3.315 20 30 GGEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000515125884 566692267 /nfs/dbraw/zinc/69/22/67/566692267.db2.gz XZJYOJQDSAZXDI-UHFFFAOYSA-N -1 3 391.269 3.453 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000561504612 566710311 /nfs/dbraw/zinc/71/03/11/566710311.db2.gz CHFSMBCQECJYBF-UHFFFAOYSA-N -1 3 390.262 3.281 20 30 GGEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000468778342 566728548 /nfs/dbraw/zinc/72/85/48/566728548.db2.gz CAIWWTQJJYOXDH-SJKOYZFVSA-N -1 3 388.917 3.360 20 30 GGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000450993679 566732439 /nfs/dbraw/zinc/73/24/39/566732439.db2.gz WJTBNNRGQCZVFH-NHYWBVRUSA-N -1 3 389.290 3.480 20 30 GGEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Br)cn2CC)n1 ZINC000608865808 566738769 /nfs/dbraw/zinc/73/87/69/566738769.db2.gz VFESYMHHURVMFF-SNVBAGLBSA-N -1 3 396.266 3.394 20 30 GGEDHM Cc1csc([N-]C(=O)c2cc(Cn3cc(Br)cn3)on2)c1C#N ZINC000561836584 566743437 /nfs/dbraw/zinc/74/34/37/566743437.db2.gz JGLLDRCNFQZKKO-UHFFFAOYSA-N -1 3 392.238 3.176 20 30 GGEDHM C[C@@H](C(=O)[N-]CC(F)(F)F)[S@](=O)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000488856793 566752356 /nfs/dbraw/zinc/75/23/56/566752356.db2.gz GALXSPYHQTVFCC-SKOYDUTJSA-N -1 3 397.287 3.299 20 30 GGEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 ZINC000609414737 566763670 /nfs/dbraw/zinc/76/36/70/566763670.db2.gz ROZVWSYBUVLNSV-AWEZNQCLSA-N -1 3 398.271 3.360 20 30 GGEDHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451171427 566770932 /nfs/dbraw/zinc/77/09/32/566770932.db2.gz SFWKVQRAMUTILM-INIZCTEOSA-N -1 3 376.865 3.435 20 30 GGEDHM Cc1csc(S(=O)(=O)[N-][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000451189482 566773182 /nfs/dbraw/zinc/77/31/82/566773182.db2.gz GVGUZVHPESXNHR-AWEZNQCLSA-N -1 3 379.482 3.015 20 30 GGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000516636201 566773705 /nfs/dbraw/zinc/77/37/05/566773705.db2.gz FWXNPNMQAMUJJS-LLVKDONJSA-N -1 3 375.874 3.158 20 30 GGEDHM N#Cc1cnccc1[N-]C(=O)c1cc(Br)sc1Br ZINC000609785410 566785110 /nfs/dbraw/zinc/78/51/10/566785110.db2.gz IIDHRDMMTRMYFO-UHFFFAOYSA-N -1 3 387.056 3.214 20 30 GGEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000542317060 566793517 /nfs/dbraw/zinc/79/35/17/566793517.db2.gz PSCRMCAWRRCXCH-UHFFFAOYSA-N -1 3 393.734 3.031 20 30 GGEDHM CCCN(CC#N)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469557633 566799556 /nfs/dbraw/zinc/79/95/56/566799556.db2.gz AAWFXKCWIDNOBD-UHFFFAOYSA-N -1 3 382.645 3.320 20 30 GGEDHM CCCN(CC#N)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469557633 566799558 /nfs/dbraw/zinc/79/95/58/566799558.db2.gz AAWFXKCWIDNOBD-UHFFFAOYSA-N -1 3 382.645 3.320 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000581704964 566800511 /nfs/dbraw/zinc/80/05/11/566800511.db2.gz USQGLFYUKQOGCY-GTNSWQLSSA-N -1 3 391.265 3.002 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H](C#N)C1CCCCC1 ZINC000517155335 566809941 /nfs/dbraw/zinc/80/99/41/566809941.db2.gz HQFPIKHKCXOYLX-AWEZNQCLSA-N -1 3 382.283 3.072 20 30 GGEDHM C=CCCCS(=O)(=O)[N-][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000489817892 566811404 /nfs/dbraw/zinc/81/14/04/566811404.db2.gz VWDCXTLBRFJJGS-AWEZNQCLSA-N -1 3 391.320 3.374 20 30 GGEDHM C=C[C@@H]1CCCCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000428034008 566811768 /nfs/dbraw/zinc/81/17/68/566811768.db2.gz CGFDWDRGQNAHCR-GFCCVEGCSA-N -1 3 391.320 3.229 20 30 GGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000517240130 566814215 /nfs/dbraw/zinc/81/42/15/566814215.db2.gz ZEYRRSVMBGQGBS-ABAIWWIYSA-N -1 3 382.283 3.072 20 30 GGEDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1 ZINC000451452153 566820572 /nfs/dbraw/zinc/82/05/72/566820572.db2.gz GUFLDHWCNZLZFQ-QWRGUYRKSA-N -1 3 381.889 3.077 20 30 GGEDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1 ZINC000451452154 566820851 /nfs/dbraw/zinc/82/08/51/566820851.db2.gz GUFLDHWCNZLZFQ-WDEREUQCSA-N -1 3 381.889 3.077 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)c(C(F)(F)F)cc2F)s1 ZINC000582009658 566822061 /nfs/dbraw/zinc/82/20/61/566822061.db2.gz UNJKCQOZRPQLJB-UHFFFAOYSA-N -1 3 382.335 3.395 20 30 GGEDHM CC[C@H](CC#N)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469895303 566825070 /nfs/dbraw/zinc/82/50/70/566825070.db2.gz BEEGYLYGJRUBQF-SECBINFHSA-N -1 3 382.645 3.366 20 30 GGEDHM CC[C@H](CC#N)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469895303 566825076 /nfs/dbraw/zinc/82/50/76/566825076.db2.gz BEEGYLYGJRUBQF-SECBINFHSA-N -1 3 382.645 3.366 20 30 GGEDHM CC(C)(Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428245558 566826555 /nfs/dbraw/zinc/82/65/55/566826555.db2.gz PYWDOJHEHIHYNP-UHFFFAOYSA-N -1 3 394.294 3.015 20 30 GGEDHM C=C1CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)CC1 ZINC000517482132 566828781 /nfs/dbraw/zinc/82/87/81/566828781.db2.gz AVLZFZDFNCFOQH-UHFFFAOYSA-N -1 3 382.532 3.080 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000517520540 566830756 /nfs/dbraw/zinc/83/07/56/566830756.db2.gz LNRMUXGJACUQPZ-SNVBAGLBSA-N -1 3 381.504 3.042 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cc(Cl)ccc23)c(F)c1 ZINC000610512857 566839710 /nfs/dbraw/zinc/83/97/10/566839710.db2.gz UWBPIOUIMPTKRD-UHFFFAOYSA-N -1 3 377.828 3.353 20 30 GGEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000428413856 566841224 /nfs/dbraw/zinc/84/12/24/566841224.db2.gz NKEJIKLLIJMXFL-UHFFFAOYSA-N -1 3 395.271 3.262 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000490453659 566854260 /nfs/dbraw/zinc/85/42/60/566854260.db2.gz OBMVQQXYNAPBNC-UHFFFAOYSA-N -1 3 379.825 3.333 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1OCCc2sccc21 ZINC000490528194 566861173 /nfs/dbraw/zinc/86/11/73/566861173.db2.gz OTEBUZPBSJNEKC-HWPZZCPQSA-N -1 3 382.894 3.254 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3Br)CC2)s1 ZINC000490528877 566861416 /nfs/dbraw/zinc/86/14/16/566861416.db2.gz UEUAWESTEKCRIL-UHFFFAOYSA-N -1 3 397.319 3.436 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1OCCc2sccc21 ZINC000490540911 566862571 /nfs/dbraw/zinc/86/25/71/566862571.db2.gz CDABBYVERCFAFA-QFYYESIMSA-N -1 3 382.894 3.254 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H]1OCCc2sccc21 ZINC000490579603 566865928 /nfs/dbraw/zinc/86/59/28/566865928.db2.gz NFMYFHGLRFRYSO-QFYYESIMSA-N -1 3 382.894 3.254 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1OCCc2sccc21 ZINC000490579602 566866286 /nfs/dbraw/zinc/86/62/86/566866286.db2.gz NFMYFHGLRFRYSO-MGPLVRAMSA-N -1 3 382.894 3.254 20 30 GGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000563225359 566866524 /nfs/dbraw/zinc/86/65/24/566866524.db2.gz OTCSNGQJEWMRCJ-UHFFFAOYSA-N -1 3 388.280 3.256 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000611025426 566884142 /nfs/dbraw/zinc/88/41/42/566884142.db2.gz AOHMBHYUKONVBV-UHFFFAOYSA-N -1 3 378.734 3.247 20 30 GGEDHM COc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000611016787 566884549 /nfs/dbraw/zinc/88/45/49/566884549.db2.gz UGZATKLZFWKIIE-AWEZNQCLSA-N -1 3 378.837 3.022 20 30 GGEDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000611080046 566887238 /nfs/dbraw/zinc/88/72/38/566887238.db2.gz BZMFEDBUXGBYNA-LLVKDONJSA-N -1 3 378.837 3.038 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000543620246 566893299 /nfs/dbraw/zinc/89/32/99/566893299.db2.gz ZBXUSRABPVENSB-ZDUSSCGKSA-N -1 3 389.235 3.016 20 30 GGEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)nn1 ZINC000632635775 566900930 /nfs/dbraw/zinc/90/09/30/566900930.db2.gz LLBVDMUDWKVIFG-UHFFFAOYSA-N -1 3 394.806 3.005 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452075475 566930566 /nfs/dbraw/zinc/93/05/66/566930566.db2.gz BXBUNDGEMNBYGE-INIZCTEOSA-N -1 3 396.921 3.455 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452080564 566931308 /nfs/dbraw/zinc/93/13/08/566931308.db2.gz HLNMAOBWMHKZNA-INIZCTEOSA-N -1 3 396.921 3.455 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)c(Cl)c1 ZINC000452084031 566931705 /nfs/dbraw/zinc/93/17/05/566931705.db2.gz KNQZUURUPNUSLD-MRXNPFEDSA-N -1 3 396.921 3.455 20 30 GGEDHM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C2 ZINC000612143746 566955922 /nfs/dbraw/zinc/95/59/22/566955922.db2.gz IIIBNDVQHWFVJR-INIZCTEOSA-N -1 3 376.865 3.056 20 30 GGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000583537901 566960599 /nfs/dbraw/zinc/96/05/99/566960599.db2.gz MVBFBWREEWEDTB-GFCCVEGCSA-N -1 3 397.747 3.416 20 30 GGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(I)cc1F ZINC000519763210 566965522 /nfs/dbraw/zinc/96/55/22/566965522.db2.gz CRGBUPVVPJKOHR-UHFFFAOYSA-N -1 3 396.225 3.112 20 30 GGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2sc(Cl)cc21 ZINC000564358392 566967479 /nfs/dbraw/zinc/96/74/79/566967479.db2.gz UABNPHRGXCWKMW-SNVBAGLBSA-N -1 3 383.838 3.147 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000544600140 566971182 /nfs/dbraw/zinc/97/11/82/566971182.db2.gz BSHKENRWNFYHPC-CYBMUJFWSA-N -1 3 389.235 3.016 20 30 GGEDHM COc1cc(Br)c(S(=O)(=O)[N-]CC2(CC#N)CC2)cc1Cl ZINC000429987208 566974804 /nfs/dbraw/zinc/97/48/04/566974804.db2.gz VAMFQMFJRUTWBH-UHFFFAOYSA-N -1 3 393.690 3.083 20 30 GGEDHM N#CC(=C([O-])c1cc(Br)cc(Br)c1)c1ccncn1 ZINC000544817116 566996789 /nfs/dbraw/zinc/99/67/89/566996789.db2.gz KYAAZZWCGQVBLW-NSHDSACASA-N -1 3 381.027 3.492 20 30 GGEDHM C=CCC1([N-]S(=O)(=O)c2cc(C)c(Br)cc2F)CCOCC1 ZINC000657129461 567020473 /nfs/dbraw/zinc/02/04/73/567020473.db2.gz OEXJEFBQCDWUFM-UHFFFAOYSA-N -1 3 392.290 3.300 20 30 GGEDHM C=CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCOCC1 ZINC000657129478 567020832 /nfs/dbraw/zinc/02/08/32/567020832.db2.gz PFTNEWNZVXIZPT-UHFFFAOYSA-N -1 3 381.828 3.345 20 30 GGEDHM N#CCCCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430556702 567021339 /nfs/dbraw/zinc/02/13/39/567021339.db2.gz ZJLSQLRMZAEZPT-UHFFFAOYSA-N -1 3 382.645 3.368 20 30 GGEDHM N#CCCCCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430556702 567021342 /nfs/dbraw/zinc/02/13/42/567021342.db2.gz ZJLSQLRMZAEZPT-UHFFFAOYSA-N -1 3 382.645 3.368 20 30 GGEDHM N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000472360915 567022035 /nfs/dbraw/zinc/02/20/35/567022035.db2.gz QFRZTWGGMVJDBP-HNNXBMFYSA-N -1 3 384.233 3.025 20 30 GGEDHM C=CCN(CCOC)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430640774 567025237 /nfs/dbraw/zinc/02/52/37/567025237.db2.gz KRQWZBFKVFJRNN-UHFFFAOYSA-N -1 3 399.672 3.219 20 30 GGEDHM C=CCN(CCOC)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430640774 567025243 /nfs/dbraw/zinc/02/52/43/567025243.db2.gz KRQWZBFKVFJRNN-UHFFFAOYSA-N -1 3 399.672 3.219 20 30 GGEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000613344451 567031197 /nfs/dbraw/zinc/03/11/97/567031197.db2.gz VDGNNNSMBUSNED-HNNXBMFYSA-N -1 3 389.315 3.454 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000452942855 567033992 /nfs/dbraw/zinc/03/39/92/567033992.db2.gz HQHHQJCTKKJWEE-OLZOCXBDSA-N -1 3 397.656 3.017 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000452942855 567033994 /nfs/dbraw/zinc/03/39/94/567033994.db2.gz HQHHQJCTKKJWEE-OLZOCXBDSA-N -1 3 397.656 3.017 20 30 GGEDHM COc1cc(C#N)ccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000545294307 567035839 /nfs/dbraw/zinc/03/58/39/567035839.db2.gz DVTKSZAJOUWNFW-UHFFFAOYSA-N -1 3 376.210 3.357 20 30 GGEDHM C=CCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)C(=O)OCC ZINC000521193356 567047091 /nfs/dbraw/zinc/04/70/91/567047091.db2.gz WEHWHQVOXVWYMV-CQSZACIVSA-N -1 3 379.400 3.023 20 30 GGEDHM C[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000584742451 567066933 /nfs/dbraw/zinc/06/69/33/567066933.db2.gz NZIRUXONLMTZTN-CQSZACIVSA-N -1 3 377.897 3.010 20 30 GGEDHM C=C(C)CN(Cc1ccccc1)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000473371381 567075192 /nfs/dbraw/zinc/07/51/92/567075192.db2.gz FEYWTXLLLVVVKC-UHFFFAOYSA-N -1 3 378.519 3.021 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c(C(F)(F)F)c1 ZINC000521772354 567079563 /nfs/dbraw/zinc/07/95/63/567079563.db2.gz LNKSMGXDYAFIJM-UHFFFAOYSA-N -1 3 376.306 3.334 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000546072862 567102281 /nfs/dbraw/zinc/10/22/81/567102281.db2.gz FCQXHAQZYKAIEE-JKSUJKDBSA-N -1 3 386.876 3.312 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Br)c2)c(F)c1 ZINC000565870424 567106349 /nfs/dbraw/zinc/10/63/49/567106349.db2.gz SRRWRUOBUIZGIQ-DZGCQCFKSA-N -1 3 395.253 3.294 20 30 GGEDHM C=CCNc1ncc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)s1 ZINC000473837336 567107162 /nfs/dbraw/zinc/10/71/62/567107162.db2.gz QVCOLMRADNNMSC-UHFFFAOYSA-N -1 3 375.454 3.381 20 30 GGEDHM COc1cc(Cl)c(S(=O)(=O)[N-]CCc2cccc(C#N)c2)cc1Cl ZINC000565920820 567111640 /nfs/dbraw/zinc/11/16/40/567111640.db2.gz CKCCCDBYSKYEGM-UHFFFAOYSA-N -1 3 385.272 3.395 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)cc1Br ZINC000588906103 567144163 /nfs/dbraw/zinc/14/41/63/567144163.db2.gz MLNIDGMYOXWNHH-UHFFFAOYSA-N -1 3 379.226 3.177 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CC(OCc3ccccc3)C2)c(Cl)c1 ZINC000546624555 567144492 /nfs/dbraw/zinc/14/44/92/567144492.db2.gz YGWPNLAIBZINNI-UHFFFAOYSA-N -1 3 376.865 3.238 20 30 GGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000432301876 567146491 /nfs/dbraw/zinc/14/64/91/567146491.db2.gz OKRPCRZVNOMLTA-UHFFFAOYSA-N -1 3 386.583 3.334 20 30 GGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000432305283 567148624 /nfs/dbraw/zinc/14/86/24/567148624.db2.gz AXYNPXWVDWKVAL-UHFFFAOYSA-N -1 3 377.260 3.238 20 30 GGEDHM C=CCCCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000566478364 567161647 /nfs/dbraw/zinc/16/16/47/567161647.db2.gz PGICHFFQHMBKOB-UHFFFAOYSA-N -1 3 392.518 3.001 20 30 GGEDHM N#CC(=C([O-])c1ccc(I)c(Cl)c1)c1ccncn1 ZINC000546859824 567167123 /nfs/dbraw/zinc/16/71/23/567167123.db2.gz QWDRQQXZYANOGY-SECBINFHSA-N -1 3 383.576 3.225 20 30 GGEDHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000524150216 567184995 /nfs/dbraw/zinc/18/49/95/567184995.db2.gz WFXDFWZMWUXGRC-PIGZYNQJSA-N -1 3 382.844 3.405 20 30 GGEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000589596510 567185477 /nfs/dbraw/zinc/18/54/77/567185477.db2.gz HEROPRRUUGXWIO-GFCCVEGCSA-N -1 3 397.216 3.438 20 30 GGEDHM O=C(NCC#Cc1cccc(F)c1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000566809221 567192000 /nfs/dbraw/zinc/19/20/00/567192000.db2.gz ZKJBVXJQZQZBLJ-UHFFFAOYSA-N -1 3 399.219 3.211 20 30 GGEDHM CC[C@H](CC#N)NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000547274725 567194979 /nfs/dbraw/zinc/19/49/79/567194979.db2.gz OOJPLDFUFHKWNW-CYBMUJFWSA-N -1 3 383.539 3.171 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C)c(I)c2)nc(C)n1 ZINC000524433940 567199774 /nfs/dbraw/zinc/19/97/74/567199774.db2.gz WKDDCYWNHLIASK-CYBMUJFWSA-N -1 3 391.212 3.497 20 30 GGEDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccncc1 ZINC000567083226 567217046 /nfs/dbraw/zinc/21/70/46/567217046.db2.gz CDQNRDUMENRRAS-AWEZNQCLSA-N -1 3 398.257 3.284 20 30 GGEDHM O=S(=O)(CCOCC(F)(F)F)[N-]c1cc(F)cc(NCC(F)(F)F)c1 ZINC000567318338 567236510 /nfs/dbraw/zinc/23/65/10/567236510.db2.gz DGQXNVDXEZZBJB-UHFFFAOYSA-N -1 3 398.300 3.121 20 30 GGEDHM Cc1nsc(N2CCN(Cc3cc([O-])ccc3Br)CC2)c1C#N ZINC000567317659 567236585 /nfs/dbraw/zinc/23/65/85/567236585.db2.gz BMPHNMHEXPFGTG-UHFFFAOYSA-N -1 3 393.310 3.114 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2OC(F)F)c(F)c1 ZINC000525307270 567242447 /nfs/dbraw/zinc/24/24/47/567242447.db2.gz XDGJJQNJYXZWOO-UHFFFAOYSA-N -1 3 390.770 3.431 20 30 GGEDHM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2C#N)cn1 ZINC000567453545 567247493 /nfs/dbraw/zinc/24/74/93/567247493.db2.gz XCMYXPAWOOOPAB-NSHDSACASA-N -1 3 397.298 3.138 20 30 GGEDHM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2C#N)cn1 ZINC000567453544 567247679 /nfs/dbraw/zinc/24/76/79/567247679.db2.gz XCMYXPAWOOOPAB-LLVKDONJSA-N -1 3 397.298 3.138 20 30 GGEDHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475566039 567257406 /nfs/dbraw/zinc/25/74/06/567257406.db2.gz GLYAPUMIJOMIHU-UHFFFAOYSA-N -1 3 379.869 3.264 20 30 GGEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(S(C)(=O)=O)s3)sc2C1 ZINC000567607220 567261297 /nfs/dbraw/zinc/26/12/97/567261297.db2.gz UFTBBJNNNOESGK-SECBINFHSA-N -1 3 380.516 3.462 20 30 GGEDHM C=CCN1CCC([N-]S(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000433634410 567263218 /nfs/dbraw/zinc/26/32/18/567263218.db2.gz PTVJTTJUIRHCBV-UHFFFAOYSA-N -1 3 399.763 3.093 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)cc1Br ZINC000499743878 567270046 /nfs/dbraw/zinc/27/00/46/567270046.db2.gz RYMVWNBDLQPDJI-SNVBAGLBSA-N -1 3 393.253 3.425 20 30 GGEDHM C=CCCC(C)(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000660143155 567270269 /nfs/dbraw/zinc/27/02/69/567270269.db2.gz NNTUINYPLBTIRP-UHFFFAOYSA-N -1 3 388.555 3.252 20 30 GGEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000567719403 567272567 /nfs/dbraw/zinc/27/25/67/567272567.db2.gz SMHOCVUVRZLWCP-CYBMUJFWSA-N -1 3 388.917 3.362 20 30 GGEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000475794328 567277438 /nfs/dbraw/zinc/27/74/38/567277438.db2.gz ZMKOGRFBXGZULK-UHFFFAOYSA-N -1 3 378.837 3.368 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2)c1 ZINC000475798485 567277692 /nfs/dbraw/zinc/27/76/92/567277692.db2.gz YJFIWAQDUJYXBW-HNNXBMFYSA-N -1 3 375.881 3.159 20 30 GGEDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000433888192 567282830 /nfs/dbraw/zinc/28/28/30/567282830.db2.gz OAHWBDGUJWCVCH-SECBINFHSA-N -1 3 386.296 3.125 20 30 GGEDHM Cn1c(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)nc2cccc(Cl)c21 ZINC000476213960 567304658 /nfs/dbraw/zinc/30/46/58/567304658.db2.gz CFZBKEUNMDUWRP-UHFFFAOYSA-N -1 3 395.271 3.230 20 30 GGEDHM Cn1c(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)nc2cccc(Cl)c21 ZINC000476199193 567304962 /nfs/dbraw/zinc/30/49/62/567304962.db2.gz LOKRYIMBLHJSTD-UHFFFAOYSA-N -1 3 395.271 3.230 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)c1 ZINC000476339137 567317549 /nfs/dbraw/zinc/31/75/49/567317549.db2.gz DUSYFZHESCLWPP-UHFFFAOYSA-N -1 3 377.828 3.353 20 30 GGEDHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476507754 567329581 /nfs/dbraw/zinc/32/95/81/567329581.db2.gz IBYKTYZFJSQYDQ-APPDUMDISA-N -1 3 382.844 3.405 20 30 GGEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000592382292 567334874 /nfs/dbraw/zinc/33/48/74/567334874.db2.gz OFFHZYZFWJLOMN-GFCCVEGCSA-N -1 3 379.707 3.460 20 30 GGEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccs1 ZINC000568567550 567339367 /nfs/dbraw/zinc/33/93/67/567339367.db2.gz QRRXBEYJTYBIAJ-OAHLLOKOSA-N -1 3 384.910 3.311 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)cc2)s1 ZINC000435426820 567362235 /nfs/dbraw/zinc/36/22/35/567362235.db2.gz JYGBMUBRBPGPEU-UHFFFAOYSA-N -1 3 376.381 3.039 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2Cl)s1 ZINC000435425193 567362706 /nfs/dbraw/zinc/36/27/06/567362706.db2.gz CNMZWFJYAKZZOT-UHFFFAOYSA-N -1 3 391.301 3.422 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Br)s1 ZINC000435432528 567364267 /nfs/dbraw/zinc/36/42/67/567364267.db2.gz NPFYCPRMJCQBNZ-SSDOTTSWSA-N -1 3 377.310 3.483 20 30 GGEDHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CCCC1 ZINC000435432257 567364708 /nfs/dbraw/zinc/36/47/08/567364708.db2.gz MJDUWPFLPBMJAY-UHFFFAOYSA-N -1 3 376.503 3.419 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(Br)cc3)CC2)s1 ZINC000435433960 567365773 /nfs/dbraw/zinc/36/57/73/567365773.db2.gz VMKMSSMTCMOQLY-UHFFFAOYSA-N -1 3 383.292 3.350 20 30 GGEDHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000435437810 567367676 /nfs/dbraw/zinc/36/76/76/567367676.db2.gz MKZZRCRSYOAKIZ-DOTOQJQBSA-N -1 3 376.865 3.445 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000435444370 567369834 /nfs/dbraw/zinc/36/98/34/567369834.db2.gz WMLGRQLXPXXKAZ-ZFWWWQNUSA-N -1 3 386.857 3.221 20 30 GGEDHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000435442905 567370284 /nfs/dbraw/zinc/37/02/84/567370284.db2.gz LAUFWFKFYVVJQV-OAHLLOKOSA-N -1 3 392.893 3.075 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3Cl)C2)s1 ZINC000435446364 567370306 /nfs/dbraw/zinc/37/03/06/567370306.db2.gz JWDONSIZBVRPGZ-LBPRGKRZSA-N -1 3 381.910 3.220 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000435584665 567375207 /nfs/dbraw/zinc/37/52/07/567375207.db2.gz NAXRTYKYBMQCFJ-BMIGLBTASA-N -1 3 380.293 3.262 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000435578482 567375930 /nfs/dbraw/zinc/37/59/30/567375930.db2.gz IEKGGRRNGXYOHB-JQWIXIFHSA-N -1 3 380.329 3.079 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000435588910 567376621 /nfs/dbraw/zinc/37/66/21/567376621.db2.gz PAUMSEIUXHSJMM-LKFCYVNXSA-N -1 3 386.782 3.463 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000435587399 567377254 /nfs/dbraw/zinc/37/72/54/567377254.db2.gz CNHXKRBYYBEQPC-QMTHXVAHSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000435587914 567377447 /nfs/dbraw/zinc/37/74/47/567377447.db2.gz JNEZCNBDKPLBFQ-BMIGLBTASA-N -1 3 380.293 3.262 20 30 GGEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1OC(F)F ZINC000501388768 567385547 /nfs/dbraw/zinc/38/55/47/567385547.db2.gz SCSLHCKIYYCGGR-GHMZBOCLSA-N -1 3 384.326 3.016 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)c(F)c1 ZINC000549532023 567396737 /nfs/dbraw/zinc/39/67/37/567396737.db2.gz YUIRBXDHLWULDX-UHFFFAOYSA-N -1 3 390.770 3.431 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2Br)c(F)c1 ZINC000569419070 567402302 /nfs/dbraw/zinc/40/23/02/567402302.db2.gz ARRFMQFSUAUTHP-SWLSCSKDSA-N -1 3 395.253 3.294 20 30 GGEDHM COc1cc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)ccc1Cl ZINC000549948236 567421201 /nfs/dbraw/zinc/42/12/01/567421201.db2.gz RDJJSJLIVMCYLC-UHFFFAOYSA-N -1 3 385.272 3.395 20 30 GGEDHM N#CC1(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCC1 ZINC000550143308 567429250 /nfs/dbraw/zinc/42/92/50/567429250.db2.gz ZYPVYKYMLSNWRC-UHFFFAOYSA-N -1 3 380.629 3.120 20 30 GGEDHM N#CC1(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCC1 ZINC000550143308 567429252 /nfs/dbraw/zinc/42/92/52/567429252.db2.gz ZYPVYKYMLSNWRC-UHFFFAOYSA-N -1 3 380.629 3.120 20 30 GGEDHM N#Cc1ccc(C2([N-]S(=O)(=O)c3sccc3Cl)CCOCC2)cc1 ZINC000528556208 567436933 /nfs/dbraw/zinc/43/69/33/567436933.db2.gz VUQZOFIXJZRRAU-UHFFFAOYSA-N -1 3 382.894 3.257 20 30 GGEDHM N#Cc1c(F)cccc1-n1ccc(NCc2cc([O-])ccc2Br)n1 ZINC000436677860 567442748 /nfs/dbraw/zinc/44/27/48/567442748.db2.gz YVSPZPUDCLOBQT-UHFFFAOYSA-N -1 3 387.212 3.385 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000550431458 567446499 /nfs/dbraw/zinc/44/64/99/567446499.db2.gz IKEJMIZTKZHWIY-ZDUSSCGKSA-N -1 3 381.251 3.270 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1nc(C(F)(F)F)cs1 ZINC000619500253 567460814 /nfs/dbraw/zinc/46/08/14/567460814.db2.gz BWPZAGBUDKNBNK-VIFPVBQESA-N -1 3 375.397 3.267 20 30 GGEDHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000550826951 567464690 /nfs/dbraw/zinc/46/46/90/567464690.db2.gz QSWDCGCFFIIBJH-SNVBAGLBSA-N -1 3 385.308 3.292 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CN2CCCCC2)c2ccccc2)s1 ZINC000619548612 567465552 /nfs/dbraw/zinc/46/55/52/567465552.db2.gz IQKQJQXXFCHXKC-QGZVFWFLSA-N -1 3 375.519 3.125 20 30 GGEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000619595346 567467838 /nfs/dbraw/zinc/46/78/38/567467838.db2.gz WXVIIPFKRGWAJT-CQSZACIVSA-N -1 3 395.253 3.426 20 30 GGEDHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2cccc(C#N)c2)s1 ZINC000619597496 567468037 /nfs/dbraw/zinc/46/80/37/567468037.db2.gz FZAAVRMPJPMUOC-UHFFFAOYSA-N -1 3 385.308 3.212 20 30 GGEDHM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503450394 567486337 /nfs/dbraw/zinc/48/63/37/567486337.db2.gz FCRKRCBNPICETA-SNVBAGLBSA-N -1 3 386.807 3.236 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCOCCc2ccccc2)c(Cl)c1 ZINC000503490452 567488288 /nfs/dbraw/zinc/48/82/88/567488288.db2.gz OZKUFBUXPMTEMZ-UHFFFAOYSA-N -1 3 378.881 3.139 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)C ZINC000594723327 567502861 /nfs/dbraw/zinc/50/28/61/567502861.db2.gz LSGHSNORIOMBQC-LBPRGKRZSA-N -1 3 375.288 3.064 20 30 GGEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000594722363 567503150 /nfs/dbraw/zinc/50/31/50/567503150.db2.gz IHUICOGOYMOVIP-XHDPSFHLSA-N -1 3 389.290 3.480 20 30 GGEDHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503773129 567504737 /nfs/dbraw/zinc/50/47/37/567504737.db2.gz MTQCPUNWCNTIMH-APPDUMDISA-N -1 3 382.844 3.405 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000594729659 567505324 /nfs/dbraw/zinc/50/53/24/567505324.db2.gz ZVKOLSJSCYUPJR-OAHLLOKOSA-N -1 3 387.299 3.208 20 30 GGEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000479128059 567505888 /nfs/dbraw/zinc/50/58/88/567505888.db2.gz JAQBFACLMGEVMW-IINYFYTJSA-N -1 3 375.263 3.339 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000594758769 567507500 /nfs/dbraw/zinc/50/75/00/567507500.db2.gz IVGLCYNRJJMVNM-NUEKZKHPSA-N -1 3 376.503 3.317 20 30 GGEDHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503884787 567510671 /nfs/dbraw/zinc/51/06/71/567510671.db2.gz LVPHUCQCCVXOPJ-PIGZYNQJSA-N -1 3 382.844 3.405 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@]1(C)CCO[C@@H]1C1CC1 ZINC000594774033 567510666 /nfs/dbraw/zinc/51/06/66/567510666.db2.gz WCENXNOOHGEFIG-SJLPKXTDSA-N -1 3 376.503 3.317 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(C)(C)C#N ZINC000594773991 567510900 /nfs/dbraw/zinc/51/09/00/567510900.db2.gz VBERAZRJPNHUSX-UHFFFAOYSA-N -1 3 375.288 3.066 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C1CC1)C(C)(C)CO ZINC000594775825 567511749 /nfs/dbraw/zinc/51/17/49/567511749.db2.gz JJCPWNROETYJFB-INIZCTEOSA-N -1 3 378.519 3.157 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3Cl)C2)s1 ZINC000594800822 567515194 /nfs/dbraw/zinc/51/51/94/567515194.db2.gz LOAVJRPAEJPLIO-GFCCVEGCSA-N -1 3 381.910 3.078 20 30 GGEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)c2ccc(C#N)cc2)c1Cl ZINC000551553623 567516278 /nfs/dbraw/zinc/51/62/78/567516278.db2.gz HAPUEUFDQSNVPV-UHFFFAOYSA-N -1 3 383.256 3.335 20 30 GGEDHM CSCC1(CC[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000594816191 567516633 /nfs/dbraw/zinc/51/66/33/567516633.db2.gz RRXSVJGFHGNBQS-UHFFFAOYSA-N -1 3 389.340 3.132 20 30 GGEDHM CSCC1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000594820450 567518162 /nfs/dbraw/zinc/51/81/62/567518162.db2.gz VWWUREJYPGNFSZ-UHFFFAOYSA-N -1 3 378.441 3.389 20 30 GGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000551563420 567518554 /nfs/dbraw/zinc/51/85/54/567518554.db2.gz JAKMTYIMCBTNLS-LBPRGKRZSA-N -1 3 388.917 3.074 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2Cl)CCCCC1 ZINC000595371169 567558779 /nfs/dbraw/zinc/55/87/79/567558779.db2.gz SNQDBBAFISYHQW-AWEZNQCLSA-N -1 3 391.320 3.420 20 30 GGEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000595399452 567562523 /nfs/dbraw/zinc/56/25/23/567562523.db2.gz JRNUDCNVHNJSIH-UHFFFAOYSA-N -1 3 375.874 3.158 20 30 GGEDHM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000479910622 567567910 /nfs/dbraw/zinc/56/79/10/567567910.db2.gz CZVXVQRKWMZJBU-DIFFPNOSSA-N -1 3 382.844 3.405 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)c(Cl)c1 ZINC000439199002 567572222 /nfs/dbraw/zinc/57/22/22/567572222.db2.gz DQDNFAQIMMPNGT-UHFFFAOYSA-N -1 3 378.866 3.142 20 30 GGEDHM N#Cc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(Cl)c1 ZINC000439434655 567585153 /nfs/dbraw/zinc/58/51/53/567585153.db2.gz FBTXGSRXIKPWIZ-UHFFFAOYSA-N -1 3 395.937 3.216 20 30 GGEDHM C=CCCS(=O)(=O)[N-]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000644871326 567586373 /nfs/dbraw/zinc/58/63/73/567586373.db2.gz DAKRUFOIFFIVIX-UHFFFAOYSA-N -1 3 376.169 3.001 20 30 GGEDHM C=CC[C@H](CC)NC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000439505217 567590064 /nfs/dbraw/zinc/59/00/64/567590064.db2.gz XQRIDGBYSPRCME-NSHDSACASA-N -1 3 379.404 3.003 20 30 GGEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccncc1 ZINC000572021289 567606761 /nfs/dbraw/zinc/60/67/61/567606761.db2.gz KTCZBBVHGCCDIC-AWEZNQCLSA-N -1 3 380.267 3.145 20 30 GGEDHM N#Cc1ccc(CN2CCN(Cc3cc([O-])ccc3Br)CC2)cc1 ZINC000506100237 567609217 /nfs/dbraw/zinc/60/92/17/567609217.db2.gz WLUKGROQMNEVEJ-UHFFFAOYSA-N -1 3 386.293 3.344 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H](c1ccccc1)N(C)C ZINC000440079278 567615978 /nfs/dbraw/zinc/61/59/78/567615978.db2.gz XFENVMPMQBNUOF-ACJLOTCBSA-N -1 3 377.897 3.181 20 30 GGEDHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000572317344 567631432 /nfs/dbraw/zinc/63/14/32/567631432.db2.gz YUCCFQRCXHSRGJ-UHFFFAOYSA-N -1 3 377.853 3.104 20 30 GGEDHM C=CCCS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000480839226 567634841 /nfs/dbraw/zinc/63/48/41/567634841.db2.gz OBEINMXRHCMKNA-JTQLQIEISA-N -1 3 386.271 3.056 20 30 GGEDHM C=CCCC1(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000553284561 567640115 /nfs/dbraw/zinc/64/01/15/567640115.db2.gz YELNQJBHNZTBPX-UHFFFAOYSA-N -1 3 391.320 3.134 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000480904644 567641732 /nfs/dbraw/zinc/64/17/32/567641732.db2.gz YCMLIAZHKHLBNA-ACJLOTCBSA-N -1 3 377.897 3.181 20 30 GGEDHM Cc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)cc1F ZINC000553437325 567655128 /nfs/dbraw/zinc/65/51/28/567655128.db2.gz SAIAFDYUSWKQEA-UHFFFAOYSA-N -1 3 383.242 3.247 20 30 GGEDHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000553567192 567666785 /nfs/dbraw/zinc/66/67/85/567666785.db2.gz PQOKQDGPXLYNKV-AWEZNQCLSA-N -1 3 378.881 3.485 20 30 GGEDHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000553567193 567667386 /nfs/dbraw/zinc/66/73/86/567667386.db2.gz PQOKQDGPXLYNKV-CQSZACIVSA-N -1 3 378.881 3.485 20 30 GGEDHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000572859962 567671552 /nfs/dbraw/zinc/67/15/52/567671552.db2.gz WDOZABCBFSPWRJ-JTQLQIEISA-N -1 3 385.308 3.292 20 30 GGEDHM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3Cl)ccc2NC1=O ZINC000531752396 567677608 /nfs/dbraw/zinc/67/76/08/567677608.db2.gz KRLJDSPFSMCTTL-UHFFFAOYSA-N -1 3 375.837 3.242 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)CCCCC1 ZINC000481473050 567681250 /nfs/dbraw/zinc/68/12/50/567681250.db2.gz MFTHAPKZIYZDRM-CQSZACIVSA-N -1 3 391.320 3.420 20 30 GGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC000573026901 567681823 /nfs/dbraw/zinc/68/18/23/567681823.db2.gz CBQLLZLVJWRYTD-UHFFFAOYSA-N -1 3 399.697 3.495 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481506229 567683258 /nfs/dbraw/zinc/68/32/58/567683258.db2.gz IQGJQJSULYBYLG-CYBMUJFWSA-N -1 3 389.235 3.016 20 30 GGEDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)CO2 ZINC000531911066 567685977 /nfs/dbraw/zinc/68/59/77/567685977.db2.gz PQVQZUNXGMXDPE-OAHLLOKOSA-N -1 3 393.262 3.041 20 30 GGEDHM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)cn1 ZINC000553830105 567689288 /nfs/dbraw/zinc/68/92/88/567689288.db2.gz MDOQAUXXFLAUBS-LLVKDONJSA-N -1 3 397.298 3.138 20 30 GGEDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553881638 567695129 /nfs/dbraw/zinc/69/51/29/567695129.db2.gz ALUKROFANPEOHE-UHFFFAOYSA-N -1 3 389.315 3.052 20 30 GGEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)CCC#N)cc1Cl ZINC000553905643 567697345 /nfs/dbraw/zinc/69/73/45/567697345.db2.gz QVIMNSRJBCUWRS-UHFFFAOYSA-N -1 3 375.853 3.046 20 30 GGEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CCCCC1 ZINC000442847396 567712608 /nfs/dbraw/zinc/71/26/08/567712608.db2.gz LGUPYOMNUALJQV-HNNXBMFYSA-N -1 3 384.885 3.002 20 30 GGEDHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000507887039 567713397 /nfs/dbraw/zinc/71/33/97/567713397.db2.gz IUFYCDJQUNALCC-UHFFFAOYSA-N -1 3 378.837 3.118 20 30 GGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl ZINC000573464888 567715190 /nfs/dbraw/zinc/71/51/90/567715190.db2.gz ZTIWLTYPCBSKQK-HSZRJFAPSA-N -1 3 382.894 3.199 20 30 GGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCc2ccccc2Br)C1 ZINC000461114082 567721021 /nfs/dbraw/zinc/72/10/21/567721021.db2.gz RIMFNOKWZBHJEQ-BBRMVZONSA-N -1 3 385.327 3.383 20 30 GGEDHM CN(CCCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000443025714 567724585 /nfs/dbraw/zinc/72/45/85/567724585.db2.gz PFOXXZLKSYKADL-UHFFFAOYSA-N -1 3 377.897 3.407 20 30 GGEDHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)N(C)C)cc1 ZINC000443033274 567725604 /nfs/dbraw/zinc/72/56/04/567725604.db2.gz FENRZWYIUVQPLH-KRWDZBQOSA-N -1 3 377.897 3.101 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCOCCc1ccccc1 ZINC000443030014 567726041 /nfs/dbraw/zinc/72/60/41/567726041.db2.gz XUPXMVKJEFYTAX-UHFFFAOYSA-N -1 3 378.881 3.139 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(Br)c(F)c1 ZINC000443028492 567726274 /nfs/dbraw/zinc/72/62/74/567726274.db2.gz FFXHCCMUJMYMMK-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000443072402 567728635 /nfs/dbraw/zinc/72/86/35/567728635.db2.gz RGDVMIZUQWDQMZ-AEFFLSMTSA-N -1 3 376.865 3.410 20 30 GGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000508097912 567729201 /nfs/dbraw/zinc/72/92/01/567729201.db2.gz QTIHZASSDPPGDR-NSHDSACASA-N -1 3 383.358 3.133 20 30 GGEDHM C=CCCSCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000597973271 567730092 /nfs/dbraw/zinc/73/00/92/567730092.db2.gz XRSXHXDYTAGBKO-UHFFFAOYSA-N -1 3 381.295 3.330 20 30 GGEDHM CCOc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1OC ZINC000443099455 567731573 /nfs/dbraw/zinc/73/15/73/567731573.db2.gz UBTOSVGGJDODJI-UHFFFAOYSA-N -1 3 380.853 3.097 20 30 GGEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000532747486 567732143 /nfs/dbraw/zinc/73/21/43/567732143.db2.gz FLWSORIQVIZVJP-VIFPVBQESA-N -1 3 385.205 3.438 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](c1cccs1)N1CCCC1 ZINC000443107771 567732490 /nfs/dbraw/zinc/73/24/90/567732490.db2.gz ZJKHTHFMXDBGNZ-HNNXBMFYSA-N -1 3 395.937 3.389 20 30 GGEDHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(Cl)c1 ZINC000508134729 567733180 /nfs/dbraw/zinc/73/31/80/567733180.db2.gz VJIPRUCNNKXSBX-UHFFFAOYSA-N -1 3 378.837 3.416 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1 ZINC000443121761 567734410 /nfs/dbraw/zinc/73/44/10/567734410.db2.gz DWEKDFWSIAPWBB-MRXNPFEDSA-N -1 3 375.881 3.159 20 30 GGEDHM CCc1ncc(S(=O)(=O)[N-][C@@H](C#N)c2cccc(C(F)(F)F)c2)s1 ZINC000461420465 567735672 /nfs/dbraw/zinc/73/56/72/567735672.db2.gz AUNWJJMTBJGFRG-NSHDSACASA-N -1 3 375.397 3.267 20 30 GGEDHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1 ZINC000554687477 567742106 /nfs/dbraw/zinc/74/21/06/567742106.db2.gz VODCUOUFTQVYDV-UHFFFAOYSA-N -1 3 398.893 3.196 20 30 GGEDHM C[C@H](C#N)N(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000598139261 567742144 /nfs/dbraw/zinc/74/21/44/567742144.db2.gz ZZWBFZQMCLFEGK-MRVPVSSYSA-N -1 3 394.656 3.461 20 30 GGEDHM C[C@H](C#N)N(C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])C1CC1 ZINC000598139261 567742147 /nfs/dbraw/zinc/74/21/47/567742147.db2.gz ZZWBFZQMCLFEGK-MRVPVSSYSA-N -1 3 394.656 3.461 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(Cl)ccc1OC(F)F ZINC000443336813 567749818 /nfs/dbraw/zinc/74/98/18/567749818.db2.gz SIVNTXYRPOINJZ-UHFFFAOYSA-N -1 3 390.770 3.431 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1ccc(OC(F)F)cc1 ZINC000533096144 567752880 /nfs/dbraw/zinc/75/28/80/567752880.db2.gz OMQWMBATXSXNNW-UHFFFAOYSA-N -1 3 386.807 3.334 20 30 GGEDHM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000443497979 567762023 /nfs/dbraw/zinc/76/20/23/567762023.db2.gz FFZAXCLMFPZINB-BBRMVZONSA-N -1 3 378.881 3.045 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3sccc3C)no2)ccc1F ZINC000555021459 567764184 /nfs/dbraw/zinc/76/41/84/567764184.db2.gz WCYXUXCSDPAVQR-UHFFFAOYSA-N -1 3 379.438 3.377 20 30 GGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000533549221 567774180 /nfs/dbraw/zinc/77/41/80/567774180.db2.gz KEKBEAKFIVGGPT-SECBINFHSA-N -1 3 396.104 3.182 20 30 GGEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C1CCCCC1 ZINC000533689826 567781692 /nfs/dbraw/zinc/78/16/92/567781692.db2.gz RBUWBYASYZONEI-CQSZACIVSA-N -1 3 375.263 3.339 20 30 GGEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3ccoc3Br)sc2C1 ZINC000598889545 567797917 /nfs/dbraw/zinc/79/79/17/567797917.db2.gz ATJXKXOKIVDOGN-UHFFFAOYSA-N -1 3 394.250 3.132 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1NCc1cc(Br)c([O-])c(Br)c1 ZINC000668217062 567801629 /nfs/dbraw/zinc/80/16/29/567801629.db2.gz ULFSBNOTMFQPKW-NEPJUHHUSA-N -1 3 377.076 3.350 20 30 GGEDHM COc1ccccc1-c1nc(NC(=O)C[C@H](NC(C)=O)c2cccs2)n[n-]1 ZINC000048303264 570231807 /nfs/dbraw/zinc/23/18/07/570231807.db2.gz UZKKMZVMFZTBKS-ZDUSSCGKSA-N -1 3 385.449 3.397 20 30 GGEDHM CCOc1ccc2nc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)sc2c1 ZINC000007286657 570825434 /nfs/dbraw/zinc/82/54/34/570825434.db2.gz GRDFXULYKWLIHK-UHFFFAOYSA-N -1 3 396.472 3.443 20 30 GGEDHM Cn1nnc2cc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc21 ZINC000103798993 570889079 /nfs/dbraw/zinc/88/90/79/570889079.db2.gz KHSHYFOFTBHHGL-NSHDSACASA-N -1 3 388.214 3.236 20 30 GGEDHM CC[C@@H](C#N)Oc1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)ccc1OC ZINC000736310231 598830197 /nfs/dbraw/zinc/83/01/97/598830197.db2.gz WOBNKNZSDHZYKZ-ZDUSSCGKSA-N -1 3 399.842 3.217 20 30 GGEDHM CC[C@@H](C#N)Oc1cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)ccc1OC ZINC000736310231 598830198 /nfs/dbraw/zinc/83/01/98/598830198.db2.gz WOBNKNZSDHZYKZ-ZDUSSCGKSA-N -1 3 399.842 3.217 20 30 GGEDHM CC[C@H](C#N)Oc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736310320 598871175 /nfs/dbraw/zinc/87/11/75/598871175.db2.gz XNIIOZIRPYRXAH-CQSZACIVSA-N -1 3 379.380 3.068 20 30 GGEDHM CC[C@H](C#N)Oc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736310320 598871176 /nfs/dbraw/zinc/87/11/76/598871176.db2.gz XNIIOZIRPYRXAH-CQSZACIVSA-N -1 3 379.380 3.068 20 30 GGEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000736309518 598879627 /nfs/dbraw/zinc/87/96/27/598879627.db2.gz PRIKUKPNTKGJHA-CQSZACIVSA-N -1 3 395.398 3.008 20 30 GGEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736309518 598879628 /nfs/dbraw/zinc/87/96/28/598879628.db2.gz PRIKUKPNTKGJHA-CQSZACIVSA-N -1 3 395.398 3.008 20 30 GGEDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccccc1SCC#N ZINC000736040544 598889415 /nfs/dbraw/zinc/88/94/15/598889415.db2.gz PIKHRBBHROHESV-ZDUSSCGKSA-N -1 3 395.444 3.107 20 30 GGEDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccccc1SCC#N ZINC000736040544 598889416 /nfs/dbraw/zinc/88/94/16/598889416.db2.gz PIKHRBBHROHESV-ZDUSSCGKSA-N -1 3 395.444 3.107 20 30 GGEDHM Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737464657 598913615 /nfs/dbraw/zinc/91/36/15/598913615.db2.gz SYTUXOAKALZLKM-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737464657 598913618 /nfs/dbraw/zinc/91/36/18/598913618.db2.gz SYTUXOAKALZLKM-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM Cn1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(-c2cc3ccccc3o2)n1 ZINC000822674173 607252790 /nfs/dbraw/zinc/25/27/90/607252790.db2.gz MSNXXYFKIXSFDT-UHFFFAOYSA-N -1 3 398.430 3.137 20 30 GGEDHM Cn1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(-c2cc3ccccc3o2)n1 ZINC000822674173 607252791 /nfs/dbraw/zinc/25/27/91/607252791.db2.gz MSNXXYFKIXSFDT-UHFFFAOYSA-N -1 3 398.430 3.137 20 30 GGEDHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737261930 598920441 /nfs/dbraw/zinc/92/04/41/598920441.db2.gz AFKMNUOKALAWLU-LLVKDONJSA-N -1 3 382.811 3.106 20 30 GGEDHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737261930 598920442 /nfs/dbraw/zinc/92/04/42/598920442.db2.gz AFKMNUOKALAWLU-LLVKDONJSA-N -1 3 382.811 3.106 20 30 GGEDHM C=CC1CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000735403174 598927195 /nfs/dbraw/zinc/92/71/95/598927195.db2.gz QZMBKXJKDDDBEZ-UHFFFAOYSA-N -1 3 389.459 3.484 20 30 GGEDHM C=CC1CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000735403174 598927196 /nfs/dbraw/zinc/92/71/96/598927196.db2.gz QZMBKXJKDDDBEZ-UHFFFAOYSA-N -1 3 389.459 3.484 20 30 GGEDHM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735913995 598927525 /nfs/dbraw/zinc/92/75/25/598927525.db2.gz GFIAXBYUTHHHOK-UHFFFAOYSA-N -1 3 382.811 3.431 20 30 GGEDHM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735913995 598927526 /nfs/dbraw/zinc/92/75/26/598927526.db2.gz GFIAXBYUTHHHOK-UHFFFAOYSA-N -1 3 382.811 3.431 20 30 GGEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1c(-c2ccccc2)nc2ccccn21 ZINC000819718848 607253525 /nfs/dbraw/zinc/25/35/25/607253525.db2.gz SZHFYXSZKOEHKN-UHFFFAOYSA-N -1 3 394.442 3.305 20 30 GGEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1c(-c2ccccc2)nc2ccccn21 ZINC000819718848 607253526 /nfs/dbraw/zinc/25/35/26/607253526.db2.gz SZHFYXSZKOEHKN-UHFFFAOYSA-N -1 3 394.442 3.305 20 30 GGEDHM COc1cc(-c2nnn[n-]2)ccc1OCCON=Cc1ccc(C(C)C)cc1 ZINC000737033273 598978220 /nfs/dbraw/zinc/97/82/20/598978220.db2.gz USJOUKSOLPGTKF-UHFFFAOYSA-N -1 3 381.436 3.428 20 30 GGEDHM COc1cc(-c2nn[n-]n2)ccc1OCCON=Cc1ccc(C(C)C)cc1 ZINC000737033273 598978222 /nfs/dbraw/zinc/97/82/22/598978222.db2.gz USJOUKSOLPGTKF-UHFFFAOYSA-N -1 3 381.436 3.428 20 30 GGEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1ccc(C#N)nc1 ZINC000737281471 598997879 /nfs/dbraw/zinc/99/78/79/598997879.db2.gz ZVWVHYKWFFQNQG-UHFFFAOYSA-N -1 3 397.398 3.486 20 30 GGEDHM CC(C)N(CCC#N)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735858776 599026263 /nfs/dbraw/zinc/02/62/63/599026263.db2.gz DHLHESQJVGAXGV-UHFFFAOYSA-N -1 3 390.447 3.210 20 30 GGEDHM CC(C)N(CCC#N)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735858776 599026265 /nfs/dbraw/zinc/02/62/65/599026265.db2.gz DHLHESQJVGAXGV-UHFFFAOYSA-N -1 3 390.447 3.210 20 30 GGEDHM C=CCSCCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735436482 599026586 /nfs/dbraw/zinc/02/65/86/599026586.db2.gz KYQFHIQNLSXDJS-UHFFFAOYSA-N -1 3 395.488 3.095 20 30 GGEDHM C[C@@H](CCSc1ccccc1)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000820248968 607257833 /nfs/dbraw/zinc/25/78/33/607257833.db2.gz QACPSPSYEQFCNZ-NSHDSACASA-N -1 3 383.506 3.379 20 30 GGEDHM C[C@@H](CCSc1ccccc1)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000820248968 607257834 /nfs/dbraw/zinc/25/78/34/607257834.db2.gz QACPSPSYEQFCNZ-NSHDSACASA-N -1 3 383.506 3.379 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000735419544 599072780 /nfs/dbraw/zinc/07/27/80/599072780.db2.gz UXKNKCWGLMRZOO-SJORKVTESA-N -1 3 395.413 3.463 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000735419544 599072784 /nfs/dbraw/zinc/07/27/84/599072784.db2.gz UXKNKCWGLMRZOO-SJORKVTESA-N -1 3 395.413 3.463 20 30 GGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc2c(c(Cl)c1)OCO2 ZINC000823504634 599115588 /nfs/dbraw/zinc/11/55/88/599115588.db2.gz SHNOVXDCEXPHKY-LFYBBSHMSA-N -1 3 380.791 3.461 20 30 GGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc2c(c(Cl)c1)OCO2 ZINC000823504634 599115592 /nfs/dbraw/zinc/11/55/92/599115592.db2.gz SHNOVXDCEXPHKY-LFYBBSHMSA-N -1 3 380.791 3.461 20 30 GGEDHM C=CCOCCCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819758853 599141101 /nfs/dbraw/zinc/14/11/01/599141101.db2.gz IISHNUKTBBLGIM-UHFFFAOYSA-N -1 3 393.447 3.367 20 30 GGEDHM C=CCOCCCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819758853 599141103 /nfs/dbraw/zinc/14/11/03/599141103.db2.gz IISHNUKTBBLGIM-UHFFFAOYSA-N -1 3 393.447 3.367 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC000819743187 599144940 /nfs/dbraw/zinc/14/49/40/599144940.db2.gz FGIRROKEMGISKL-FQEVSTJZSA-N -1 3 389.459 3.002 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC000819743187 599144942 /nfs/dbraw/zinc/14/49/42/599144942.db2.gz FGIRROKEMGISKL-FQEVSTJZSA-N -1 3 389.459 3.002 20 30 GGEDHM CCCOc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)CO2 ZINC000736492771 599154037 /nfs/dbraw/zinc/15/40/37/599154037.db2.gz PPMNMCPCCPTYSL-ZROIWOOFSA-N -1 3 392.415 3.323 20 30 GGEDHM CCCOc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)CO2 ZINC000736492771 599154039 /nfs/dbraw/zinc/15/40/39/599154039.db2.gz PPMNMCPCCPTYSL-ZROIWOOFSA-N -1 3 392.415 3.323 20 30 GGEDHM COc1ccc(C=CC(=O)c2cc(OC)c(OC)cc2C)cc1-c1nnn[n-]1 ZINC000737039803 599154682 /nfs/dbraw/zinc/15/46/82/599154682.db2.gz KPIZVDZCPGFNKS-ALCCZGGFSA-N -1 3 380.404 3.097 20 30 GGEDHM COc1ccc(C=CC(=O)c2cc(OC)c(OC)cc2C)cc1-c1nn[n-]n1 ZINC000737039803 599154683 /nfs/dbraw/zinc/15/46/83/599154683.db2.gz KPIZVDZCPGFNKS-ALCCZGGFSA-N -1 3 380.404 3.097 20 30 GGEDHM CC(C)c1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1-c1ccccc1 ZINC000735921184 599197352 /nfs/dbraw/zinc/19/73/52/599197352.db2.gz NMGQQZPOZXDANQ-UHFFFAOYSA-N -1 3 398.430 3.300 20 30 GGEDHM CC(C)c1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1-c1ccccc1 ZINC000735921184 599197354 /nfs/dbraw/zinc/19/73/54/599197354.db2.gz NMGQQZPOZXDANQ-UHFFFAOYSA-N -1 3 398.430 3.300 20 30 GGEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2cc(Cl)ccc2OCC#N)n1 ZINC000737471522 599221159 /nfs/dbraw/zinc/22/11/59/599221159.db2.gz SCKZFXYTKRRINM-UHFFFAOYSA-N -1 3 387.856 3.122 20 30 GGEDHM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2cc(Cl)ccc2OCC#N)n1 ZINC000737471522 599221160 /nfs/dbraw/zinc/22/11/60/599221160.db2.gz SCKZFXYTKRRINM-UHFFFAOYSA-N -1 3 387.856 3.122 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000735420398 599242490 /nfs/dbraw/zinc/24/24/90/599242490.db2.gz PGWYSSPTMORUHX-IAGOWNOFSA-N -1 3 386.525 3.239 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000735420398 599242492 /nfs/dbraw/zinc/24/24/92/599242492.db2.gz PGWYSSPTMORUHX-IAGOWNOFSA-N -1 3 386.525 3.239 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccc(OCCC)c1 ZINC000819744078 607275692 /nfs/dbraw/zinc/27/56/92/607275692.db2.gz VOVNKOKAYSRWNW-UHFFFAOYSA-N -1 3 391.475 3.413 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccc(OCCC)c1 ZINC000819744078 607275693 /nfs/dbraw/zinc/27/56/93/607275693.db2.gz VOVNKOKAYSRWNW-UHFFFAOYSA-N -1 3 391.475 3.413 20 30 GGEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819745541 607292117 /nfs/dbraw/zinc/29/21/17/607292117.db2.gz IKHJQYYOLNHFPN-UHFFFAOYSA-N -1 3 393.407 3.303 20 30 GGEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819745541 607292118 /nfs/dbraw/zinc/29/21/18/607292118.db2.gz IKHJQYYOLNHFPN-UHFFFAOYSA-N -1 3 393.407 3.303 20 30 GGEDHM CCCNc1ccc(C#N)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736487573 599275485 /nfs/dbraw/zinc/27/54/85/599275485.db2.gz IHEFCYBROAOFBQ-UHFFFAOYSA-N -1 3 393.476 3.291 20 30 GGEDHM CCCNc1ccc(C#N)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736487573 599275486 /nfs/dbraw/zinc/27/54/86/599275486.db2.gz IHEFCYBROAOFBQ-UHFFFAOYSA-N -1 3 393.476 3.291 20 30 GGEDHM C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115791 598280572 /nfs/dbraw/zinc/28/05/72/598280572.db2.gz JOWZBWSIXZQMMF-LBPRGKRZSA-N -1 3 378.440 3.178 20 30 GGEDHM C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115791 598280573 /nfs/dbraw/zinc/28/05/73/598280573.db2.gz JOWZBWSIXZQMMF-LBPRGKRZSA-N -1 3 378.440 3.178 20 30 GGEDHM COc1c(O)cccc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737025761 598314236 /nfs/dbraw/zinc/31/42/36/598314236.db2.gz MJALLKOVOROFCW-UHFFFAOYSA-N -1 3 378.314 3.046 20 30 GGEDHM COc1c(O)cccc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737025761 598314237 /nfs/dbraw/zinc/31/42/37/598314237.db2.gz MJALLKOVOROFCW-UHFFFAOYSA-N -1 3 378.314 3.046 20 30 GGEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(O)c1 ZINC000737073074 598316074 /nfs/dbraw/zinc/31/60/74/598316074.db2.gz PHWIQZMAEFWMOJ-UHFFFAOYSA-N -1 3 392.341 3.436 20 30 GGEDHM C=C(C)COc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000735402251 598444553 /nfs/dbraw/zinc/44/45/53/598444553.db2.gz OAJXFASTTYSVFT-CQSZACIVSA-N -1 3 379.420 3.228 20 30 GGEDHM C=C(C)COc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000735402251 598444554 /nfs/dbraw/zinc/44/45/54/598444554.db2.gz OAJXFASTTYSVFT-CQSZACIVSA-N -1 3 379.420 3.228 20 30 GGEDHM N#Cc1ccccc1-c1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737730289 598480241 /nfs/dbraw/zinc/48/02/41/598480241.db2.gz HXCMFOKQVUJSAK-UHFFFAOYSA-N -1 3 382.383 3.157 20 30 GGEDHM N#Cc1ccccc1-c1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737730289 598480243 /nfs/dbraw/zinc/48/02/43/598480243.db2.gz HXCMFOKQVUJSAK-UHFFFAOYSA-N -1 3 382.383 3.157 20 30 GGEDHM C[C@@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000736155168 598485699 /nfs/dbraw/zinc/48/56/99/598485699.db2.gz IXPSJWZIIUGOJX-CYBMUJFWSA-N -1 3 379.445 3.276 20 30 GGEDHM C[C@@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000736155168 598485700 /nfs/dbraw/zinc/48/57/00/598485700.db2.gz IXPSJWZIIUGOJX-CYBMUJFWSA-N -1 3 379.445 3.276 20 30 GGEDHM N#CC1(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)CCCC1 ZINC000737674253 598543956 /nfs/dbraw/zinc/54/39/56/598543956.db2.gz HQGQPIDGRBDQTH-UHFFFAOYSA-N -1 3 388.431 3.468 20 30 GGEDHM N#CC1(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)CCCC1 ZINC000737674253 598543958 /nfs/dbraw/zinc/54/39/58/598543958.db2.gz HQGQPIDGRBDQTH-UHFFFAOYSA-N -1 3 388.431 3.468 20 30 GGEDHM Cc1nnc(Nc2ccc(OCc3cccc(C#N)c3)cc2)c(-c2nnn[n-]2)c1C ZINC000737533661 598552004 /nfs/dbraw/zinc/55/20/04/598552004.db2.gz PUBRZZHSDSTXFH-UHFFFAOYSA-N -1 3 398.430 3.468 20 30 GGEDHM Cc1nnc(Nc2ccc(OCc3cccc(C#N)c3)cc2)c(-c2nn[n-]n2)c1C ZINC000737533661 598552006 /nfs/dbraw/zinc/55/20/06/598552006.db2.gz PUBRZZHSDSTXFH-UHFFFAOYSA-N -1 3 398.430 3.468 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735418616 598568234 /nfs/dbraw/zinc/56/82/34/598568234.db2.gz FZBLKNFGHAAVJW-SJORKVTESA-N -1 3 395.413 3.463 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735418616 598568236 /nfs/dbraw/zinc/56/82/36/598568236.db2.gz FZBLKNFGHAAVJW-SJORKVTESA-N -1 3 395.413 3.463 20 30 GGEDHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(C)n1-c1ccc(C#N)cc1 ZINC000110787026 598609607 /nfs/dbraw/zinc/60/96/07/598609607.db2.gz VSYDVCYWDILPAA-UHFFFAOYSA-N -1 3 397.442 3.076 20 30 GGEDHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(C)n1-c1ccc(C#N)cc1 ZINC000110787026 598609609 /nfs/dbraw/zinc/60/96/09/598609609.db2.gz VSYDVCYWDILPAA-UHFFFAOYSA-N -1 3 397.442 3.076 20 30 GGEDHM C=CCc1cc(OC)ccc1OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735442840 598648064 /nfs/dbraw/zinc/64/80/64/598648064.db2.gz KQKMOQLKKBQJSZ-UHFFFAOYSA-N -1 3 382.445 3.302 20 30 GGEDHM C=CCc1cc(OC)ccc1OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735442840 598648066 /nfs/dbraw/zinc/64/80/66/598648066.db2.gz KQKMOQLKKBQJSZ-UHFFFAOYSA-N -1 3 382.445 3.302 20 30 GGEDHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000736103077 598649760 /nfs/dbraw/zinc/64/97/60/598649760.db2.gz VZODLWJTEQCPKF-OAHLLOKOSA-N -1 3 390.447 3.165 20 30 GGEDHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000736103077 598649762 /nfs/dbraw/zinc/64/97/62/598649762.db2.gz VZODLWJTEQCPKF-OAHLLOKOSA-N -1 3 390.447 3.165 20 30 GGEDHM CN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1cccc(C#N)c1 ZINC000736742947 598655178 /nfs/dbraw/zinc/65/51/78/598655178.db2.gz VFSWSUKFEMDYJR-UHFFFAOYSA-N -1 3 397.398 3.202 20 30 GGEDHM CN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1cccc(C#N)c1 ZINC000736742947 598655179 /nfs/dbraw/zinc/65/51/79/598655179.db2.gz VFSWSUKFEMDYJR-UHFFFAOYSA-N -1 3 397.398 3.202 20 30 GGEDHM C#Cc1cccc(N(C)C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)c1 ZINC000735391352 598659935 /nfs/dbraw/zinc/65/99/35/598659935.db2.gz QPKPXJOZIFOXHG-UHFFFAOYSA-N -1 3 399.410 3.297 20 30 GGEDHM C#Cc1cccc(N(C)C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)c1 ZINC000735391352 598659936 /nfs/dbraw/zinc/65/99/36/598659936.db2.gz QPKPXJOZIFOXHG-UHFFFAOYSA-N -1 3 399.410 3.297 20 30 GGEDHM CC(=NOCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(NC(=O)C2CC2)cc1 ZINC000735458838 598673840 /nfs/dbraw/zinc/67/38/40/598673840.db2.gz RNKJGTPFAUQNQV-UHFFFAOYSA-N -1 3 394.410 3.295 20 30 GGEDHM CC(=NOCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000735458838 598673842 /nfs/dbraw/zinc/67/38/42/598673842.db2.gz RNKJGTPFAUQNQV-UHFFFAOYSA-N -1 3 394.410 3.295 20 30 GGEDHM N#Cc1ccc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737719216 598726170 /nfs/dbraw/zinc/72/61/70/598726170.db2.gz RJDDPGSRXKXHSG-UHFFFAOYSA-N -1 3 395.394 3.170 20 30 GGEDHM N#Cc1ccc(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737719216 598726172 /nfs/dbraw/zinc/72/61/72/598726172.db2.gz RJDDPGSRXKXHSG-UHFFFAOYSA-N -1 3 395.394 3.170 20 30 GGEDHM N#Cc1cccc(OCCCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737730121 598726568 /nfs/dbraw/zinc/72/65/68/598726568.db2.gz GJCZCYQCYXSVKI-UHFFFAOYSA-N -1 3 395.394 3.170 20 30 GGEDHM N#Cc1cccc(OCCCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737730121 598726569 /nfs/dbraw/zinc/72/65/69/598726569.db2.gz GJCZCYQCYXSVKI-UHFFFAOYSA-N -1 3 395.394 3.170 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)-c2ccccc2CC3)nc1 ZINC000735389701 598735560 /nfs/dbraw/zinc/73/55/60/598735560.db2.gz GYLIXAQKRNRCRY-UHFFFAOYSA-N -1 3 398.451 3.322 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)nc1 ZINC000735389701 598735561 /nfs/dbraw/zinc/73/55/61/598735561.db2.gz GYLIXAQKRNRCRY-UHFFFAOYSA-N -1 3 398.451 3.322 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)cn1 ZINC000735390445 598735563 /nfs/dbraw/zinc/73/55/63/598735563.db2.gz ZGHJGTMUQHQUNM-UHFFFAOYSA-N -1 3 382.383 3.288 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cn1 ZINC000735390445 598735564 /nfs/dbraw/zinc/73/55/64/598735564.db2.gz ZGHJGTMUQHQUNM-UHFFFAOYSA-N -1 3 382.383 3.288 20 30 GGEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735419010 598756385 /nfs/dbraw/zinc/75/63/85/598756385.db2.gz OLNHQCNWAHRZQJ-UHFFFAOYSA-N -1 3 395.916 3.277 20 30 GGEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735419010 598756386 /nfs/dbraw/zinc/75/63/86/598756386.db2.gz OLNHQCNWAHRZQJ-UHFFFAOYSA-N -1 3 395.916 3.277 20 30 GGEDHM N#Cc1ccc(OC2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)cc1 ZINC000737722674 598796945 /nfs/dbraw/zinc/79/69/45/598796945.db2.gz XLMWPHYQBUICIN-UHFFFAOYSA-N -1 3 380.839 3.440 20 30 GGEDHM N#Cc1ccc(OC2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)cc1 ZINC000737722674 598796947 /nfs/dbraw/zinc/79/69/47/598796947.db2.gz XLMWPHYQBUICIN-UHFFFAOYSA-N -1 3 380.839 3.440 20 30 GGEDHM C=CCOCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000735438301 598818124 /nfs/dbraw/zinc/81/81/24/598818124.db2.gz ZYVLHZCPWWYIPJ-UHFFFAOYSA-N -1 3 385.811 3.454 20 30 GGEDHM C=CCOCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000735438301 598818126 /nfs/dbraw/zinc/81/81/26/598818126.db2.gz ZYVLHZCPWWYIPJ-UHFFFAOYSA-N -1 3 385.811 3.454 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000735436943 599304585 /nfs/dbraw/zinc/30/45/85/599304585.db2.gz VEUIEGUVWRBMLI-SDQBBNPISA-N -1 3 391.431 3.116 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000735436943 599304586 /nfs/dbraw/zinc/30/45/86/599304586.db2.gz VEUIEGUVWRBMLI-SDQBBNPISA-N -1 3 391.431 3.116 20 30 GGEDHM CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820231075 607370685 /nfs/dbraw/zinc/37/06/85/607370685.db2.gz AFZSLOVXRNXRKF-INIZCTEOSA-N -1 3 385.472 3.444 20 30 GGEDHM CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820231075 607370687 /nfs/dbraw/zinc/37/06/87/607370687.db2.gz AFZSLOVXRNXRKF-INIZCTEOSA-N -1 3 385.472 3.444 20 30 GGEDHM CC(C)(C)OC(=O)NCCCN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819940172 607370728 /nfs/dbraw/zinc/37/07/28/607370728.db2.gz QZQPHCABGFKBMN-UHFFFAOYSA-N -1 3 399.377 3.198 20 30 GGEDHM CC(C)(C)OC(=O)NCCCN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819940172 607370729 /nfs/dbraw/zinc/37/07/29/607370729.db2.gz QZQPHCABGFKBMN-UHFFFAOYSA-N -1 3 399.377 3.198 20 30 GGEDHM C(=NN=C(c1ccccc1)c1ccccc1)c1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000735397261 599454617 /nfs/dbraw/zinc/45/46/17/599454617.db2.gz ALTBCSAGXUZUJO-UHFFFAOYSA-N -1 3 392.426 3.386 20 30 GGEDHM C(=NN=C(c1ccccc1)c1ccccc1)c1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000735397261 599454619 /nfs/dbraw/zinc/45/46/19/599454619.db2.gz ALTBCSAGXUZUJO-UHFFFAOYSA-N -1 3 392.426 3.386 20 30 GGEDHM O=C(C=Cc1cnc2ccc(Br)cn12)c1ccc(-c2nnn[n-]2)cc1 ZINC000737807539 599456273 /nfs/dbraw/zinc/45/62/73/599456273.db2.gz PGUXRDLVXSYAGB-SREVYHEPSA-N -1 3 395.220 3.173 20 30 GGEDHM O=C(C=Cc1cnc2ccc(Br)cn12)c1ccc(-c2nn[n-]n2)cc1 ZINC000737807539 599456275 /nfs/dbraw/zinc/45/62/75/599456275.db2.gz PGUXRDLVXSYAGB-SREVYHEPSA-N -1 3 395.220 3.173 20 30 GGEDHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(Br)cc1C#N ZINC000821749590 607380179 /nfs/dbraw/zinc/38/01/79/607380179.db2.gz TZYLXYIUDOGANA-UHFFFAOYSA-N -1 3 386.209 3.088 20 30 GGEDHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(Br)cc1C#N ZINC000821749590 607380181 /nfs/dbraw/zinc/38/01/81/607380181.db2.gz TZYLXYIUDOGANA-UHFFFAOYSA-N -1 3 386.209 3.088 20 30 GGEDHM N#Cc1ccccc1N1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000822842522 599479181 /nfs/dbraw/zinc/47/91/81/599479181.db2.gz MJUIUCQLMXCUKF-UHFFFAOYSA-N -1 3 379.855 3.108 20 30 GGEDHM N#Cc1ccccc1N1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000822842522 599479182 /nfs/dbraw/zinc/47/91/82/599479182.db2.gz MJUIUCQLMXCUKF-UHFFFAOYSA-N -1 3 379.855 3.108 20 30 GGEDHM N#Cc1ccc(OC2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000822833880 599527151 /nfs/dbraw/zinc/52/71/51/599527151.db2.gz ZBAMXJPKIITKME-UHFFFAOYSA-N -1 3 397.442 3.334 20 30 GGEDHM N#Cc1ccc(OC2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cc1 ZINC000822833880 599527153 /nfs/dbraw/zinc/52/71/53/599527153.db2.gz ZBAMXJPKIITKME-UHFFFAOYSA-N -1 3 397.442 3.334 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820313163 599533268 /nfs/dbraw/zinc/53/32/68/599533268.db2.gz BLBDQKVYNNTECH-AUUYWEPGSA-N -1 3 390.447 3.019 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820313163 599533270 /nfs/dbraw/zinc/53/32/70/599533270.db2.gz BLBDQKVYNNTECH-AUUYWEPGSA-N -1 3 390.447 3.019 20 30 GGEDHM C#CCOc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000819709911 599558605 /nfs/dbraw/zinc/55/86/05/599558605.db2.gz UDBHSFCIQRKUNJ-UHFFFAOYSA-N -1 3 390.834 3.114 20 30 GGEDHM C#CCOc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000819709911 599558608 /nfs/dbraw/zinc/55/86/08/599558608.db2.gz UDBHSFCIQRKUNJ-UHFFFAOYSA-N -1 3 390.834 3.114 20 30 GGEDHM N#Cc1ccc(Nc2cccc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000609989732 599564014 /nfs/dbraw/zinc/56/40/14/599564014.db2.gz YPHOQGPTZRBRKH-UHFFFAOYSA-N -1 3 395.426 3.412 20 30 GGEDHM N#Cc1ccc(Nc2cccc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000609989732 599564016 /nfs/dbraw/zinc/56/40/16/599564016.db2.gz YPHOQGPTZRBRKH-UHFFFAOYSA-N -1 3 395.426 3.412 20 30 GGEDHM N#CCCN(CC1CC1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737685801 599567997 /nfs/dbraw/zinc/56/79/97/599567997.db2.gz FAHGZVSHHULFAO-UHFFFAOYSA-N -1 3 387.447 3.376 20 30 GGEDHM C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339820 599681861 /nfs/dbraw/zinc/68/18/61/599681861.db2.gz GTIJBQHPQYSGKJ-AWEZNQCLSA-N -1 3 387.447 3.174 20 30 GGEDHM C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339820 599681862 /nfs/dbraw/zinc/68/18/62/599681862.db2.gz GTIJBQHPQYSGKJ-AWEZNQCLSA-N -1 3 387.447 3.174 20 30 GGEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000826185306 607393222 /nfs/dbraw/zinc/39/32/22/607393222.db2.gz GPJCOVPWGQAEJZ-OAHLLOKOSA-N -1 3 377.408 3.042 20 30 GGEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000826185306 607393224 /nfs/dbraw/zinc/39/32/24/607393224.db2.gz GPJCOVPWGQAEJZ-OAHLLOKOSA-N -1 3 377.408 3.042 20 30 GGEDHM N#CCC[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381262 607428614 /nfs/dbraw/zinc/42/86/14/607428614.db2.gz DOXBNTLCROOWQO-SFHVURJKSA-N -1 3 392.488 3.261 20 30 GGEDHM N#CCC[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381262 607428616 /nfs/dbraw/zinc/42/86/16/607428616.db2.gz DOXBNTLCROOWQO-SFHVURJKSA-N -1 3 392.488 3.261 20 30 GGEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737387833 600212613 /nfs/dbraw/zinc/21/26/13/600212613.db2.gz VHNHSTQPIYNFKJ-KSSFIOAISA-N -1 3 379.441 3.230 20 30 GGEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737387838 600212621 /nfs/dbraw/zinc/21/26/21/600212621.db2.gz VHNHSTQPIYNFKJ-RDTXWAMCSA-N -1 3 379.441 3.230 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC000736095466 600406786 /nfs/dbraw/zinc/40/67/86/600406786.db2.gz YSKJYFUGVBTIIZ-UHFFFAOYSA-N -1 3 383.395 3.148 20 30 GGEDHM Cc1oc(CN(C)CC(=O)C(C#N)c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000738966380 600430555 /nfs/dbraw/zinc/43/05/55/600430555.db2.gz BSJVMNVGMCIVRO-AWEZNQCLSA-N -1 3 383.429 3.204 20 30 GGEDHM Cc1oc(CN(C)CC(=O)C(C#N)c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000738966382 600430683 /nfs/dbraw/zinc/43/06/83/600430683.db2.gz BSJVMNVGMCIVRO-CQSZACIVSA-N -1 3 383.429 3.204 20 30 GGEDHM COc1cc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(F)F ZINC000737882184 600562574 /nfs/dbraw/zinc/56/25/74/600562574.db2.gz URLQZKGBBBEZGW-KRWDZBQOSA-N -1 3 376.359 3.426 20 30 GGEDHM COc1ccc(C(=O)C2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000737919784 600563459 /nfs/dbraw/zinc/56/34/59/600563459.db2.gz GEMXWCDMMMFIBQ-FQEVSTJZSA-N -1 3 378.428 3.287 20 30 GGEDHM N#Cc1ccc([C@H](NCc2cccc(NC(=O)c3ccncc3)c2)C(=O)[O-])cc1 ZINC000739107124 600595966 /nfs/dbraw/zinc/59/59/66/600595966.db2.gz PKWQPEXGIXCLBG-FQEVSTJZSA-N -1 3 386.411 3.121 20 30 GGEDHM N#Cc1ccc([C@@H](NCc2ccc(NC(=O)c3cccnc3)cc2)C(=O)[O-])cc1 ZINC000739108871 600597174 /nfs/dbraw/zinc/59/71/74/600597174.db2.gz XOFOABIUTCKLRQ-HXUWFJFHSA-N -1 3 386.411 3.121 20 30 GGEDHM CCOC(=O)Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821334565 607457734 /nfs/dbraw/zinc/45/77/34/607457734.db2.gz ODPCBLUGKYFNSI-MDZDMXLPSA-N -1 3 380.379 3.008 20 30 GGEDHM CCOC(=O)Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821334565 607457735 /nfs/dbraw/zinc/45/77/35/607457735.db2.gz ODPCBLUGKYFNSI-MDZDMXLPSA-N -1 3 380.379 3.008 20 30 GGEDHM CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2NC1=O ZINC000829170576 600694981 /nfs/dbraw/zinc/69/49/81/600694981.db2.gz WHECUXKBIHLMDN-JLBUNGTFSA-N -1 3 379.416 3.144 20 30 GGEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3F)cc21 ZINC000820577357 607459483 /nfs/dbraw/zinc/45/94/83/607459483.db2.gz PBSXYJFZSWUFPR-VURMDHGXSA-N -1 3 377.379 3.132 20 30 GGEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3F)cc21 ZINC000820577357 607459484 /nfs/dbraw/zinc/45/94/84/607459484.db2.gz PBSXYJFZSWUFPR-VURMDHGXSA-N -1 3 377.379 3.132 20 30 GGEDHM N#Cc1ccc([C@H](OC(=O)C2CCN(Cc3ccccc3)CC2)C(=O)[O-])cc1 ZINC000739110092 600804005 /nfs/dbraw/zinc/80/40/05/600804005.db2.gz OMYIPYGVIGVFDH-FQEVSTJZSA-N -1 3 378.428 3.139 20 30 GGEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832000138 601236576 /nfs/dbraw/zinc/23/65/76/601236576.db2.gz JXNDHUQHOZRARJ-YNEHKIRRSA-N -1 3 392.839 3.195 20 30 GGEDHM N#Cc1cccc([C@@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C(=O)[O-])c1 ZINC000833074880 601298921 /nfs/dbraw/zinc/29/89/21/601298921.db2.gz FWWFEWKFHYKTND-HXUWFJFHSA-N -1 3 377.444 3.100 20 30 GGEDHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OCC(F)(F)F ZINC000832000305 601300958 /nfs/dbraw/zinc/30/09/58/601300958.db2.gz MKJXNGQUJNMNKA-KRWDZBQOSA-N -1 3 394.349 3.423 20 30 GGEDHM N#Cc1cccc([C@H](NCc2ccc(NC(=O)c3cccnc3)cc2)C(=O)[O-])c1 ZINC000833076131 601303564 /nfs/dbraw/zinc/30/35/64/601303564.db2.gz QOATZYRFMWGCEN-FQEVSTJZSA-N -1 3 386.411 3.121 20 30 GGEDHM N#Cc1cccc([C@@H](NCc2ccc(NC(=O)c3ccncc3)cc2)C(=O)[O-])c1 ZINC000833075972 601304597 /nfs/dbraw/zinc/30/45/97/601304597.db2.gz PDMIMWOUPXUBGU-HXUWFJFHSA-N -1 3 386.411 3.121 20 30 GGEDHM CC[C@H](C#N)Oc1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC000828586331 601304965 /nfs/dbraw/zinc/30/49/65/601304965.db2.gz DJNIXTUZDBZMSF-XLIONFOSSA-N -1 3 379.416 3.163 20 30 GGEDHM COc1sc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000826222011 607530770 /nfs/dbraw/zinc/53/07/70/607530770.db2.gz DTFUHBOCTYPADM-UHFFFAOYSA-N -1 3 379.243 3.145 20 30 GGEDHM COc1sc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000826222011 607530773 /nfs/dbraw/zinc/53/07/73/607530773.db2.gz DTFUHBOCTYPADM-UHFFFAOYSA-N -1 3 379.243 3.145 20 30 GGEDHM CN(CCC(=O)Nc1cccc(C#N)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727045 601904411 /nfs/dbraw/zinc/90/44/11/601904411.db2.gz HIWSCDPFUGAANV-SFHVURJKSA-N -1 3 391.349 3.062 20 30 GGEDHM C=CCC[C@H](NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823894558 607570607 /nfs/dbraw/zinc/57/06/07/607570607.db2.gz SXCDWXBJEHPTRK-SFHVURJKSA-N -1 3 392.463 3.382 20 30 GGEDHM C=CCC[C@H](NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823894558 607570608 /nfs/dbraw/zinc/57/06/08/607570608.db2.gz SXCDWXBJEHPTRK-SFHVURJKSA-N -1 3 392.463 3.382 20 30 GGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000826246274 607686725 /nfs/dbraw/zinc/68/67/25/607686725.db2.gz YUUNKYRJAVUPAZ-CQSZACIVSA-N -1 3 387.230 3.477 20 30 GGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000826246274 607686727 /nfs/dbraw/zinc/68/67/27/607686727.db2.gz YUUNKYRJAVUPAZ-CQSZACIVSA-N -1 3 387.230 3.477 20 30 GGEDHM COc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc1OCCCC#N ZINC000832314766 604466881 /nfs/dbraw/zinc/46/68/81/604466881.db2.gz OSXACKCHKFGWDU-IBGZPJMESA-N -1 3 380.444 3.389 20 30 GGEDHM C[C@H](Oc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1)C(=O)[O-] ZINC000833538013 604566469 /nfs/dbraw/zinc/56/64/69/604566469.db2.gz BAHFTJAPEFRQDL-KRWDZBQOSA-N -1 3 379.460 3.122 20 30 GGEDHM CCN(CCC#N)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821207945 606153680 /nfs/dbraw/zinc/15/36/80/606153680.db2.gz ZDWMGKHEVVMHNJ-UHFFFAOYSA-N -1 3 377.408 3.426 20 30 GGEDHM CCN(CCC#N)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821207945 606153682 /nfs/dbraw/zinc/15/36/82/606153682.db2.gz ZDWMGKHEVVMHNJ-UHFFFAOYSA-N -1 3 377.408 3.426 20 30 GGEDHM N#Cc1cc(F)ccc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822822710 606267027 /nfs/dbraw/zinc/26/70/27/606267027.db2.gz CPSUHCOHGQAIGQ-UHFFFAOYSA-N -1 3 380.383 3.065 20 30 GGEDHM N#Cc1cc(F)ccc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822822710 606267029 /nfs/dbraw/zinc/26/70/29/606267029.db2.gz CPSUHCOHGQAIGQ-UHFFFAOYSA-N -1 3 380.383 3.065 20 30 GGEDHM CCOC(=O)CCOc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821330392 606305055 /nfs/dbraw/zinc/30/50/55/606305055.db2.gz KIWLUDUOPHPPSG-BQYQJAHWSA-N -1 3 398.444 3.156 20 30 GGEDHM CCOC(=O)CCOc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821330392 606305058 /nfs/dbraw/zinc/30/50/58/606305058.db2.gz KIWLUDUOPHPPSG-BQYQJAHWSA-N -1 3 398.444 3.156 20 30 GGEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2c(Br)cccc21 ZINC000823498362 606306237 /nfs/dbraw/zinc/30/62/37/606306237.db2.gz MHWOTCVUKUYOHG-YWEYNIOJSA-N -1 3 389.234 3.349 20 30 GGEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2c(Br)cccc21 ZINC000823498362 606306238 /nfs/dbraw/zinc/30/62/38/606306238.db2.gz MHWOTCVUKUYOHG-YWEYNIOJSA-N -1 3 389.234 3.349 20 30 GGEDHM N#Cc1csc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)c1 ZINC000822846108 606337150 /nfs/dbraw/zinc/33/71/50/606337150.db2.gz PAFOADINXMBMHV-AWNIVKPZSA-N -1 3 396.482 3.206 20 30 GGEDHM N#Cc1csc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)c1 ZINC000822846108 606337152 /nfs/dbraw/zinc/33/71/52/606337152.db2.gz PAFOADINXMBMHV-AWNIVKPZSA-N -1 3 396.482 3.206 20 30 GGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819742838 606348535 /nfs/dbraw/zinc/34/85/35/606348535.db2.gz ANNIBNHGZVERFU-UHFFFAOYSA-N -1 3 382.399 3.235 20 30 GGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819742838 606348537 /nfs/dbraw/zinc/34/85/37/606348537.db2.gz ANNIBNHGZVERFU-UHFFFAOYSA-N -1 3 382.399 3.235 20 30 GGEDHM N#Cc1ccc(NC(=O)CCc2ccc(Br)cc2)cc1-c1nnn[n-]1 ZINC000822829878 606372915 /nfs/dbraw/zinc/37/29/15/606372915.db2.gz NFDZPFUYHWGSOA-UHFFFAOYSA-N -1 3 397.236 3.072 20 30 GGEDHM N#Cc1ccc(NC(=O)CCc2ccc(Br)cc2)cc1-c1nn[n-]n1 ZINC000822829878 606372917 /nfs/dbraw/zinc/37/29/17/606372917.db2.gz NFDZPFUYHWGSOA-UHFFFAOYSA-N -1 3 397.236 3.072 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cnn1-c1ccc(F)cc1 ZINC000822015473 606391226 /nfs/dbraw/zinc/39/12/26/606391226.db2.gz KDJZWHKPAQNMDQ-VURMDHGXSA-N -1 3 380.408 3.458 20 30 GGEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2c(Br)cccc21 ZINC000823504462 606391690 /nfs/dbraw/zinc/39/16/90/606391690.db2.gz QJWOVGFBKMMXKA-SOFGYWHQSA-N -1 3 389.234 3.349 20 30 GGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2cc(O)ccc2c1 ZINC000822934865 606392920 /nfs/dbraw/zinc/39/29/20/606392920.db2.gz DUQGVFVNHBCQAQ-ALCCZGGFSA-N -1 3 382.383 3.269 20 30 GGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2cc(O)ccc2c1 ZINC000822934865 606392922 /nfs/dbraw/zinc/39/29/22/606392922.db2.gz DUQGVFVNHBCQAQ-ALCCZGGFSA-N -1 3 382.383 3.269 20 30 GGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822802014 606420410 /nfs/dbraw/zinc/42/04/10/606420410.db2.gz UDVHBXVOTBOKHI-SJORKVTESA-N -1 3 375.392 3.051 20 30 GGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822802014 606420412 /nfs/dbraw/zinc/42/04/12/606420412.db2.gz UDVHBXVOTBOKHI-SJORKVTESA-N -1 3 375.392 3.051 20 30 GGEDHM C=CCSc1ccccc1NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819759317 606456162 /nfs/dbraw/zinc/45/61/62/606456162.db2.gz UCSZXBCOYKUQNM-UHFFFAOYSA-N -1 3 384.440 3.335 20 30 GGEDHM C=CCSc1ccccc1NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819759317 606456164 /nfs/dbraw/zinc/45/61/64/606456164.db2.gz UCSZXBCOYKUQNM-UHFFFAOYSA-N -1 3 384.440 3.335 20 30 GGEDHM COc1ccccc1C=NOCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821891051 606594744 /nfs/dbraw/zinc/59/47/44/606594744.db2.gz UFXFSFNXKZOJIS-UHFFFAOYSA-N -1 3 375.335 3.027 20 30 GGEDHM COc1ccccc1C=NOCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821891051 606594745 /nfs/dbraw/zinc/59/47/45/606594745.db2.gz UFXFSFNXKZOJIS-UHFFFAOYSA-N -1 3 375.335 3.027 20 30 GGEDHM N#Cc1cccc(OCCCSCCOc2ccccc2-c2nnn[n-]2)c1 ZINC000822837633 606841958 /nfs/dbraw/zinc/84/19/58/606841958.db2.gz PUYYYRPNKHGJPK-UHFFFAOYSA-N -1 3 381.461 3.319 20 30 GGEDHM N#Cc1cccc(OCCCSCCOc2ccccc2-c2nn[n-]n2)c1 ZINC000822837633 606841960 /nfs/dbraw/zinc/84/19/60/606841960.db2.gz PUYYYRPNKHGJPK-UHFFFAOYSA-N -1 3 381.461 3.319 20 30 GGEDHM N#CCc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822814510 606850190 /nfs/dbraw/zinc/85/01/90/606850190.db2.gz GVOIEDLOMRNLIE-UHFFFAOYSA-N -1 3 384.852 3.317 20 30 GGEDHM N#CCc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822814510 606850193 /nfs/dbraw/zinc/85/01/93/606850193.db2.gz GVOIEDLOMRNLIE-UHFFFAOYSA-N -1 3 384.852 3.317 20 30 GGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822801371 606907674 /nfs/dbraw/zinc/90/76/74/606907674.db2.gz HXUSEBGHTOCSOK-NHCUHLMSSA-N -1 3 388.475 3.407 20 30 GGEDHM CC(=[NH+][N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000819772668 606988411 /nfs/dbraw/zinc/98/84/11/606988411.db2.gz IUOIKOMKNQWYDA-UHFFFAOYSA-N -1 3 397.870 3.193 20 30 GGEDHM N#Cc1cc(Br)ccc1Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822818952 607046357 /nfs/dbraw/zinc/04/63/57/607046357.db2.gz JFLXZRVZKRRJMK-UHFFFAOYSA-N -1 3 387.153 3.201 20 30 GGEDHM N#Cc1cc(Br)ccc1Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822818952 607046359 /nfs/dbraw/zinc/04/63/59/607046359.db2.gz JFLXZRVZKRRJMK-UHFFFAOYSA-N -1 3 387.153 3.201 20 30 GGEDHM N#Cc1ccc(F)cc1COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822829723 607082986 /nfs/dbraw/zinc/08/29/86/607082986.db2.gz GFLCOLRXHHLCMO-UHFFFAOYSA-N -1 3 395.394 3.170 20 30 GGEDHM N#Cc1ccc(F)cc1COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822829723 607082987 /nfs/dbraw/zinc/08/29/87/607082987.db2.gz GFLCOLRXHHLCMO-UHFFFAOYSA-N -1 3 395.394 3.170 20 30 GGEDHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820480518 607091241 /nfs/dbraw/zinc/09/12/41/607091241.db2.gz LILDJLWUPRRMPC-CYBMUJFWSA-N -1 3 377.404 3.200 20 30 GGEDHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820480518 607091242 /nfs/dbraw/zinc/09/12/42/607091242.db2.gz LILDJLWUPRRMPC-CYBMUJFWSA-N -1 3 377.404 3.200 20 30 GGEDHM Cn1c(C=NNc2cccc(-c3nnn[n-]3)c2)nc2cc(C(F)(F)F)ccc21 ZINC000822596618 607147702 /nfs/dbraw/zinc/14/77/02/607147702.db2.gz NNXPGRAPLZAZHK-UHFFFAOYSA-N -1 3 386.341 3.218 20 30 GGEDHM Cn1c(C=NNc2cccc(-c3nn[n-]n3)c2)nc2cc(C(F)(F)F)ccc21 ZINC000822596618 607147704 /nfs/dbraw/zinc/14/77/04/607147704.db2.gz NNXPGRAPLZAZHK-UHFFFAOYSA-N -1 3 386.341 3.218 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000819743887 607212843 /nfs/dbraw/zinc/21/28/43/607212843.db2.gz SCDQVCZRBMFMBQ-SFHVURJKSA-N -1 3 396.495 3.056 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000819743887 607212844 /nfs/dbraw/zinc/21/28/44/607212844.db2.gz SCDQVCZRBMFMBQ-SFHVURJKSA-N -1 3 396.495 3.056 20 30 GGEDHM N#Cc1cccc(OCCCCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822837006 607246157 /nfs/dbraw/zinc/24/61/57/607246157.db2.gz DSYWDXODZCDQHQ-UHFFFAOYSA-N -1 3 381.367 3.032 20 30 GGEDHM N#Cc1cccc(OCCCCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822837006 607246158 /nfs/dbraw/zinc/24/61/58/607246158.db2.gz DSYWDXODZCDQHQ-UHFFFAOYSA-N -1 3 381.367 3.032 20 30 GGEDHM N#CC(=C([O-])c1ccc(-c2nn[nH]n2)[nH]1)c1nc(-c2c(F)cccc2F)cs1 ZINC000826379405 607777733 /nfs/dbraw/zinc/77/77/33/607777733.db2.gz QSUCYUQVHWDRLN-QMMMGPOBSA-N -1 3 397.370 3.087 20 30 GGEDHM CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825829431 607789858 /nfs/dbraw/zinc/78/98/58/607789858.db2.gz FHKFMQGURGODDW-UHFFFAOYSA-N -1 3 397.398 3.202 20 30 GGEDHM CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825829431 607789859 /nfs/dbraw/zinc/78/98/59/607789859.db2.gz FHKFMQGURGODDW-UHFFFAOYSA-N -1 3 397.398 3.202 20 30 GGEDHM C[C@H](OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(C)(C)C#N ZINC000824723513 607807153 /nfs/dbraw/zinc/80/71/53/607807153.db2.gz RKPZAFIKHBMGTE-LBPRGKRZSA-N -1 3 381.392 3.134 20 30 GGEDHM CC(C)(C)O[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000824119886 607829352 /nfs/dbraw/zinc/82/93/52/607829352.db2.gz SBEYSRKUCFVYCV-QGZVFWFLSA-N -1 3 376.420 3.233 20 30 GGEDHM CC(C)(C)O[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000824119886 607829353 /nfs/dbraw/zinc/82/93/53/607829353.db2.gz SBEYSRKUCFVYCV-QGZVFWFLSA-N -1 3 376.420 3.233 20 30 GGEDHM CS[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826225063 607944864 /nfs/dbraw/zinc/94/48/64/607944864.db2.gz SBOBWZGMABOBBQ-ZWNOBZJWSA-N -1 3 384.490 3.308 20 30 GGEDHM CS[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826225063 607944865 /nfs/dbraw/zinc/94/48/65/607944865.db2.gz SBOBWZGMABOBBQ-ZWNOBZJWSA-N -1 3 384.490 3.308 20 30 GGEDHM C#CC[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823837381 607956222 /nfs/dbraw/zinc/95/62/22/607956222.db2.gz CQVZQTJYJOUAHR-HXUWFJFHSA-N -1 3 389.459 3.297 20 30 GGEDHM C#CC[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823837381 607956223 /nfs/dbraw/zinc/95/62/23/607956223.db2.gz CQVZQTJYJOUAHR-HXUWFJFHSA-N -1 3 389.459 3.297 20 30 GGEDHM C[C@@H](CC#N)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824384537 608060320 /nfs/dbraw/zinc/06/03/20/608060320.db2.gz CZWAPYZRTOOBQD-NSHDSACASA-N -1 3 382.811 3.344 20 30 GGEDHM C[C@@H](CC#N)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824384537 608060321 /nfs/dbraw/zinc/06/03/21/608060321.db2.gz CZWAPYZRTOOBQD-NSHDSACASA-N -1 3 382.811 3.344 20 30 GGEDHM C#CCOCCOC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823856398 608075463 /nfs/dbraw/zinc/07/54/63/608075463.db2.gz QSBWCVXMVHLSEG-UHFFFAOYSA-N -1 3 398.806 3.119 20 30 GGEDHM C#CCOCCOC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823856398 608075464 /nfs/dbraw/zinc/07/54/64/608075464.db2.gz QSBWCVXMVHLSEG-UHFFFAOYSA-N -1 3 398.806 3.119 20 30 GGEDHM CC(N=Nc1ncnc2sc3c(c21)CCC3)c1ccc(-c2nnn[n-]2)s1 ZINC000823962095 608091636 /nfs/dbraw/zinc/09/16/36/608091636.db2.gz DYNUJFVTFKYFPX-UHFFFAOYSA-N -1 3 382.478 3.258 20 30 GGEDHM COc1ccc(-c2nnn[n-]2)cc1CON=Cc1ccc(Br)cc1 ZINC000826185100 608151032 /nfs/dbraw/zinc/15/10/32/608151032.db2.gz YOAOWDOCHCTVCG-UHFFFAOYSA-N -1 3 388.225 3.189 20 30 GGEDHM COc1ccc(-c2nn[n-]n2)cc1CON=Cc1ccc(Br)cc1 ZINC000826185100 608151033 /nfs/dbraw/zinc/15/10/33/608151033.db2.gz YOAOWDOCHCTVCG-UHFFFAOYSA-N -1 3 388.225 3.189 20 30 GGEDHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000824705487 608183115 /nfs/dbraw/zinc/18/31/15/608183115.db2.gz BVDHCHTZWVMBAG-CYBMUJFWSA-N -1 3 377.404 3.200 20 30 GGEDHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000824705487 608183118 /nfs/dbraw/zinc/18/31/18/608183118.db2.gz BVDHCHTZWVMBAG-CYBMUJFWSA-N -1 3 377.404 3.200 20 30 GGEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000824716032 608185374 /nfs/dbraw/zinc/18/53/74/608185374.db2.gz WGJVSZSKCDUKQN-KUHUBIRLSA-N -1 3 391.431 3.446 20 30 GGEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000824716032 608185376 /nfs/dbraw/zinc/18/53/76/608185376.db2.gz WGJVSZSKCDUKQN-KUHUBIRLSA-N -1 3 391.431 3.446 20 30 GGEDHM N#Cc1c(Cl)nsc1Oc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826382938 608191250 /nfs/dbraw/zinc/19/12/50/608191250.db2.gz BOCCNVZOPURTRF-UHFFFAOYSA-N -1 3 383.618 3.403 20 30 GGEDHM N#Cc1c(Cl)nsc1Oc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826382938 608191251 /nfs/dbraw/zinc/19/12/51/608191251.db2.gz BOCCNVZOPURTRF-UHFFFAOYSA-N -1 3 383.618 3.403 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1cnccc1C ZINC000823909730 608203468 /nfs/dbraw/zinc/20/34/68/608203468.db2.gz OVVWGTHFMPKCMX-HNNXBMFYSA-N -1 3 377.452 3.029 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1cnccc1C ZINC000823909730 608203469 /nfs/dbraw/zinc/20/34/69/608203469.db2.gz OVVWGTHFMPKCMX-HNNXBMFYSA-N -1 3 377.452 3.029 20 30 GGEDHM N#Cc1ccc2nc(N3CCCN(c4ccccc4-c4nnn[n-]4)CC3)ccc2c1 ZINC000826385961 608223386 /nfs/dbraw/zinc/22/33/86/608223386.db2.gz JLBFWLNSRHHLPG-UHFFFAOYSA-N -1 3 396.458 3.003 20 30 GGEDHM N#Cc1ccc2nc(N3CCCN(c4ccccc4-c4nn[n-]n4)CC3)ccc2c1 ZINC000826385961 608223388 /nfs/dbraw/zinc/22/33/88/608223388.db2.gz JLBFWLNSRHHLPG-UHFFFAOYSA-N -1 3 396.458 3.003 20 30 GGEDHM O=C(C#Cc1ccccc1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826396530 608328260 /nfs/dbraw/zinc/32/82/60/608328260.db2.gz BYPMVDJOYNARTD-UHFFFAOYSA-N -1 3 379.423 3.202 20 30 GGEDHM O=C(C#Cc1ccccc1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826396530 608328262 /nfs/dbraw/zinc/32/82/62/608328262.db2.gz BYPMVDJOYNARTD-UHFFFAOYSA-N -1 3 379.423 3.202 20 30 GGEDHM C#CCCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823838217 608330376 /nfs/dbraw/zinc/33/03/76/608330376.db2.gz MFANMXCMYNMTCU-OAHLLOKOSA-N -1 3 376.445 3.360 20 30 GGEDHM C#CCCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823838217 608330378 /nfs/dbraw/zinc/33/03/78/608330378.db2.gz MFANMXCMYNMTCU-OAHLLOKOSA-N -1 3 376.445 3.360 20 30 GGEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2cc(Br)ccc21 ZINC000826476045 608387521 /nfs/dbraw/zinc/38/75/21/608387521.db2.gz ZNNBPYHOFYXLSS-FPYGCLRLSA-N -1 3 389.234 3.349 20 30 GGEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2cc(Br)ccc21 ZINC000826476045 608387522 /nfs/dbraw/zinc/38/75/22/608387522.db2.gz ZNNBPYHOFYXLSS-FPYGCLRLSA-N -1 3 389.234 3.349 20 30 GGEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1ccccn1 ZINC000823937175 608398189 /nfs/dbraw/zinc/39/81/89/608398189.db2.gz KZXHJXBVCRGNIK-UHFFFAOYSA-N -1 3 394.439 3.138 20 30 GGEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1ccccn1 ZINC000823937175 608398190 /nfs/dbraw/zinc/39/81/90/608398190.db2.gz KZXHJXBVCRGNIK-UHFFFAOYSA-N -1 3 394.439 3.138 20 30 GGEDHM COc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(Cl)c1OC ZINC000826190490 608536125 /nfs/dbraw/zinc/53/61/25/608536125.db2.gz CVRCOCDZZWCNFY-UHFFFAOYSA-N -1 3 394.222 3.032 20 30 GGEDHM Clc1cc(-c2nn[n-]n2)cc([N-][NH+]=Cc2ccc(N3CCCCC3)s2)n1 ZINC000826350107 608537699 /nfs/dbraw/zinc/53/76/99/608537699.db2.gz IRXQHJAQONRACL-UHFFFAOYSA-N -1 3 388.888 3.413 20 30 GGEDHM Cc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(C)n1Cc1ccco1 ZINC000826266524 608537709 /nfs/dbraw/zinc/53/77/09/608537709.db2.gz RKCITIRDAUTDFF-UHFFFAOYSA-N -1 3 396.842 3.421 20 30 GGEDHM Cc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(C)n1Cc1ccco1 ZINC000826266524 608537711 /nfs/dbraw/zinc/53/77/11/608537711.db2.gz RKCITIRDAUTDFF-UHFFFAOYSA-N -1 3 396.842 3.421 20 30 GGEDHM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824391063 608750065 /nfs/dbraw/zinc/75/00/65/608750065.db2.gz GTMBFWJVZZAZGM-SECBINFHSA-N -1 3 394.867 3.006 20 30 GGEDHM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824391063 608750067 /nfs/dbraw/zinc/75/00/67/608750067.db2.gz GTMBFWJVZZAZGM-SECBINFHSA-N -1 3 394.867 3.006 20 30 GGEDHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000824207121 608832694 /nfs/dbraw/zinc/83/26/94/608832694.db2.gz QAOULPSMNQVZBW-QGZVFWFLSA-N -1 3 396.838 3.434 20 30 GGEDHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000824207121 608832695 /nfs/dbraw/zinc/83/26/95/608832695.db2.gz QAOULPSMNQVZBW-QGZVFWFLSA-N -1 3 396.838 3.434 20 30 GGEDHM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000824305317 608876160 /nfs/dbraw/zinc/87/61/60/608876160.db2.gz NCTNYEFCWMZKHB-ONNFQVAWSA-N -1 3 394.410 3.432 20 30 GGEDHM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000824305317 608876162 /nfs/dbraw/zinc/87/61/62/608876162.db2.gz NCTNYEFCWMZKHB-ONNFQVAWSA-N -1 3 394.410 3.432 20 30 GGEDHM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000824305318 608876471 /nfs/dbraw/zinc/87/64/71/608876471.db2.gz NCTNYEFCWMZKHB-WMZJFQQLSA-N -1 3 394.410 3.432 20 30 GGEDHM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000824305318 608876474 /nfs/dbraw/zinc/87/64/74/608876474.db2.gz NCTNYEFCWMZKHB-WMZJFQQLSA-N -1 3 394.410 3.432 20 30 GGEDHM CCOc1c(OC)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC ZINC000825604225 609133489 /nfs/dbraw/zinc/13/34/89/609133489.db2.gz FCNFOLOCZIEFDU-VMPITWQZSA-N -1 3 398.394 3.318 20 30 GGEDHM CCOc1c(OC)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000825604225 609133490 /nfs/dbraw/zinc/13/34/90/609133490.db2.gz FCNFOLOCZIEFDU-VMPITWQZSA-N -1 3 398.394 3.318 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC1(C#N)CCCCC1 ZINC000824206979 609152864 /nfs/dbraw/zinc/15/28/64/609152864.db2.gz MWULIJATRFAPCI-QGZVFWFLSA-N -1 3 383.452 3.287 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC1(C#N)CCCCC1 ZINC000824206979 609152866 /nfs/dbraw/zinc/15/28/66/609152866.db2.gz MWULIJATRFAPCI-QGZVFWFLSA-N -1 3 383.452 3.287 20 30 GGEDHM N#Cc1cccc(-c2c[nH]c(CNc3ccc(Cl)cc3-c3nnn[n-]3)n2)c1 ZINC000826386660 609167122 /nfs/dbraw/zinc/16/71/22/609167122.db2.gz NQVZPWLFYBQZIU-UHFFFAOYSA-N -1 3 376.811 3.394 20 30 GGEDHM N#Cc1cccc(-c2c[nH]c(CNc3ccc(Cl)cc3-c3nn[n-]n3)n2)c1 ZINC000826386660 609167123 /nfs/dbraw/zinc/16/71/23/609167123.db2.gz NQVZPWLFYBQZIU-UHFFFAOYSA-N -1 3 376.811 3.394 20 30 GGEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000825792940 609238679 /nfs/dbraw/zinc/23/86/79/609238679.db2.gz GSYXVCDTBJUNNW-UHFFFAOYSA-N -1 3 398.430 3.044 20 30 GGEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000825792940 609238680 /nfs/dbraw/zinc/23/86/80/609238680.db2.gz GSYXVCDTBJUNNW-UHFFFAOYSA-N -1 3 398.430 3.044 20 30 GGEDHM Cn1cc(C=C2CCc3ccccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359723 609308521 /nfs/dbraw/zinc/30/85/21/609308521.db2.gz OYWBXIABNXNEJQ-ATVHPVEESA-N -1 3 382.427 3.480 20 30 GGEDHM Cn1cc(C=C2CCc3ccccc3C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359723 609308522 /nfs/dbraw/zinc/30/85/22/609308522.db2.gz OYWBXIABNXNEJQ-ATVHPVEESA-N -1 3 382.427 3.480 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccc(C#N)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359962 609308591 /nfs/dbraw/zinc/30/85/91/609308591.db2.gz UFYVZILAIPTNGR-KHPPLWFESA-N -1 3 381.399 3.035 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccc(C#N)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359962 609308593 /nfs/dbraw/zinc/30/85/93/609308593.db2.gz UFYVZILAIPTNGR-KHPPLWFESA-N -1 3 381.399 3.035 20 30 GGEDHM CC(C)C[C@H](C#N)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824229687 609331816 /nfs/dbraw/zinc/33/18/16/609331816.db2.gz ULOVSHRXUPYYJS-CQSZACIVSA-N -1 3 376.420 3.327 20 30 GGEDHM CC(C)C[C@H](C#N)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824229687 609331818 /nfs/dbraw/zinc/33/18/18/609331818.db2.gz ULOVSHRXUPYYJS-CQSZACIVSA-N -1 3 376.420 3.327 20 30 GGEDHM CC(C)(C#N)COC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824059472 609357212 /nfs/dbraw/zinc/35/72/12/609357212.db2.gz WQTVXJFLOXQHBR-UHFFFAOYSA-N -1 3 377.404 3.152 20 30 GGEDHM N#Cc1ccc(N2CCC[C@H](Sc3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000826385544 609419165 /nfs/dbraw/zinc/41/91/65/609419165.db2.gz QKKRGKYNGBOXHO-KRWDZBQOSA-N -1 3 376.445 3.026 20 30 GGEDHM N#Cc1ccc(N2CCC[C@H](Sc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000826385544 609419167 /nfs/dbraw/zinc/41/91/67/609419167.db2.gz QKKRGKYNGBOXHO-KRWDZBQOSA-N -1 3 376.445 3.026 20 30 GGEDHM N#Cc1ccc(N2CCC[C@@H](Sc3cccc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000826385303 609421973 /nfs/dbraw/zinc/42/19/73/609421973.db2.gz GBABTGRMANCDJY-QGZVFWFLSA-N -1 3 376.445 3.026 20 30 GGEDHM N#Cc1ccc(N2CCC[C@@H](Sc3cccc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000826385303 609421974 /nfs/dbraw/zinc/42/19/74/609421974.db2.gz GBABTGRMANCDJY-QGZVFWFLSA-N -1 3 376.445 3.026 20 30 GGEDHM C=CCOc1ccc(O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000823931654 609431374 /nfs/dbraw/zinc/43/13/74/609431374.db2.gz CMXWNAKCSBHGGX-IBGZPJMESA-N -1 3 391.431 3.006 20 30 GGEDHM C=CCOc1ccc(O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000823931654 609431377 /nfs/dbraw/zinc/43/13/77/609431377.db2.gz CMXWNAKCSBHGGX-IBGZPJMESA-N -1 3 391.431 3.006 20 30 GGEDHM N#CCc1ccc(OCc2ccccc2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826382618 609442355 /nfs/dbraw/zinc/44/23/55/609442355.db2.gz NHRYZYRRTFLWMB-UHFFFAOYSA-N -1 3 399.414 3.092 20 30 GGEDHM N#CCc1ccc(OCc2ccccc2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826382618 609442357 /nfs/dbraw/zinc/44/23/57/609442357.db2.gz NHRYZYRRTFLWMB-UHFFFAOYSA-N -1 3 399.414 3.092 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccnc(Cl)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359636 609442505 /nfs/dbraw/zinc/44/25/05/609442505.db2.gz MKCUISHZIOQLFU-SREVYHEPSA-N -1 3 391.822 3.212 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccnc(Cl)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359636 609442507 /nfs/dbraw/zinc/44/25/07/609442507.db2.gz MKCUISHZIOQLFU-SREVYHEPSA-N -1 3 391.822 3.212 20 30 GGEDHM N#Cc1ccccc1CNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826387137 609445029 /nfs/dbraw/zinc/44/50/29/609445029.db2.gz HXFBBFUNJBSZFQ-UHFFFAOYSA-N -1 3 376.811 3.190 20 30 GGEDHM C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824513984 609454903 /nfs/dbraw/zinc/45/49/03/609454903.db2.gz LDQDMDDUKDWLHV-AWEZNQCLSA-N -1 3 397.442 3.235 20 30 GGEDHM C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824513984 609454905 /nfs/dbraw/zinc/45/49/05/609454905.db2.gz LDQDMDDUKDWLHV-AWEZNQCLSA-N -1 3 397.442 3.235 20 30 GGEDHM COc1ccc(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1NC(C)=O ZINC000826188536 609473922 /nfs/dbraw/zinc/47/39/22/609473922.db2.gz ZWEFBLCGLKAHEF-UHFFFAOYSA-N -1 3 399.842 3.323 20 30 GGEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1NC(C)=O ZINC000826188536 609473924 /nfs/dbraw/zinc/47/39/24/609473924.db2.gz ZWEFBLCGLKAHEF-UHFFFAOYSA-N -1 3 399.842 3.323 20 30 GGEDHM COCCc1nc(C)c(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000826163395 609473995 /nfs/dbraw/zinc/47/39/95/609473995.db2.gz SHXDSSFKYSYXNL-UHFFFAOYSA-N -1 3 391.888 3.310 20 30 GGEDHM COCCc1nc(C)c(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000826163395 609473996 /nfs/dbraw/zinc/47/39/96/609473996.db2.gz SHXDSSFKYSYXNL-UHFFFAOYSA-N -1 3 391.888 3.310 20 30 GGEDHM Clc1cc(NN=Cc2csc(-c3ccccn3)n2)ccc1-c1nnn[n-]1 ZINC000826351683 609476694 /nfs/dbraw/zinc/47/66/94/609476694.db2.gz WBTZOEZUWQQGBS-UHFFFAOYSA-N -1 3 382.840 3.485 20 30 GGEDHM Clc1cc(NN=Cc2csc(-c3ccccn3)n2)ccc1-c1nn[n-]n1 ZINC000826351683 609476695 /nfs/dbraw/zinc/47/66/95/609476695.db2.gz WBTZOEZUWQQGBS-UHFFFAOYSA-N -1 3 382.840 3.485 20 30 GGEDHM C#CCOc1ccc(CNc2ccc(NC(=O)OCC)c(-c3nnn[n-]3)c2)cc1 ZINC000823856200 609487472 /nfs/dbraw/zinc/48/74/72/609487472.db2.gz MRJIPLVCTUGOCO-UHFFFAOYSA-N -1 3 392.419 3.059 20 30 GGEDHM C#CCOc1ccc(CNc2ccc(NC(=O)OCC)c(-c3nn[n-]n3)c2)cc1 ZINC000823856200 609487475 /nfs/dbraw/zinc/48/74/75/609487475.db2.gz MRJIPLVCTUGOCO-UHFFFAOYSA-N -1 3 392.419 3.059 20 30 GGEDHM N#Cc1cc(Cl)ccc1COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826383797 609619245 /nfs/dbraw/zinc/61/92/45/609619245.db2.gz QOCNXVKOSQQXLG-UHFFFAOYSA-N -1 3 385.836 3.227 20 30 GGEDHM N#Cc1cc(Cl)ccc1COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826383797 609619247 /nfs/dbraw/zinc/61/92/47/609619247.db2.gz QOCNXVKOSQQXLG-UHFFFAOYSA-N -1 3 385.836 3.227 20 30 GGEDHM C=CCn1c(C)cc(C(=O)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)c1C ZINC000053845513 1406532578 /nfs/dbraw/zinc/53/25/78/1406532578.db2.gz AHLLXIMFVDYIEG-UHFFFAOYSA-N -1 3 399.472 3.109 20 30 GGEDHM CCOc1cccc(/C=N/c2ccc([N-]S(=O)(=O)CC)c(OC)c2)c1O ZINC000054893973 1406845193 /nfs/dbraw/zinc/84/51/93/1406845193.db2.gz TWAYTHNKJCENJX-XDHOZWIPSA-N -1 3 378.450 3.312 20 30 GGEDHM CC(=O)Nc1ccc([O-])c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000055167731 1406897463 /nfs/dbraw/zinc/89/74/63/1406897463.db2.gz RFQIXKWHOHVZDL-UHFFFAOYSA-N -1 3 376.334 3.151 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000005165131 1398417368 /nfs/dbraw/zinc/41/73/68/1398417368.db2.gz AJGZYLSETCAHKT-UHFFFAOYSA-N -1 3 379.338 3.333 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccccc1Br ZINC000007674069 1398726345 /nfs/dbraw/zinc/72/63/45/1398726345.db2.gz LZFPWAXZSMXXSK-UHFFFAOYSA-N -1 3 389.249 3.302 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ncc(-c2ccccc2)o1 ZINC000007674053 1398726424 /nfs/dbraw/zinc/72/64/24/1398726424.db2.gz ROHCJPAGAJSMQO-UHFFFAOYSA-N -1 3 377.400 3.194 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000055485907 1406979743 /nfs/dbraw/zinc/97/97/43/1406979743.db2.gz LRHDHCGYJYMFIO-LJQANCHMSA-N -1 3 377.488 3.420 20 30 GGEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)COC(=O)c2ccc([O-])cc2)c1C#N ZINC000014072255 1399085305 /nfs/dbraw/zinc/08/53/05/1399085305.db2.gz PAUFIZIORJRCSX-UHFFFAOYSA-N -1 3 389.411 3.467 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCSc1ccc(F)cc1 ZINC000015533481 1399169596 /nfs/dbraw/zinc/16/95/96/1399169596.db2.gz FAKMDNIGOGVIIO-UHFFFAOYSA-N -1 3 387.480 3.234 20 30 GGEDHM COc1ccc([C@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000015535049 1399169733 /nfs/dbraw/zinc/16/97/33/1399169733.db2.gz HJTCEADQWDDCIY-HXUWFJFHSA-N -1 3 379.460 3.168 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(Br)cc1 ZINC000017222233 1399276035 /nfs/dbraw/zinc/27/60/35/1399276035.db2.gz GXQJQASGQCKLHY-UHFFFAOYSA-N -1 3 389.249 3.302 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1ccc2ccccc2c1 ZINC000017222802 1399276151 /nfs/dbraw/zinc/27/61/51/1399276151.db2.gz QCYFYVMSPMJNHT-UHFFFAOYSA-N -1 3 388.423 3.375 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCSc1ccc(Cl)cc1 ZINC000018205652 1399306315 /nfs/dbraw/zinc/30/63/15/1399306315.db2.gz CZUUJEVPHTZIRC-UHFFFAOYSA-N -1 3 389.908 3.358 20 30 GGEDHM CCCOC(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000020005546 1399340147 /nfs/dbraw/zinc/34/01/47/1399340147.db2.gz YPQAPZMLYLNMDV-UHFFFAOYSA-N -1 3 381.432 3.002 20 30 GGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)cc2)ccc1F ZINC000029778200 1400351102 /nfs/dbraw/zinc/35/11/02/1400351102.db2.gz YFFMAFSITIZEGC-UHFFFAOYSA-N -1 3 375.425 3.026 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055999226 1407166465 /nfs/dbraw/zinc/16/64/65/1407166465.db2.gz UUSCDRXUXJJAKX-SFHVURJKSA-N -1 3 381.451 3.169 20 30 GGEDHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C(C)(C)C#N)ccc2C)cc1 ZINC000056064262 1407187427 /nfs/dbraw/zinc/18/74/27/1407187427.db2.gz GKJKXRMFBUVOKK-UHFFFAOYSA-N -1 3 387.461 3.293 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000056212779 1407253508 /nfs/dbraw/zinc/25/35/08/1407253508.db2.gz VLAHRHPIXCAQLI-UHFFFAOYSA-N -1 3 378.432 3.094 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000045239009 1404080583 /nfs/dbraw/zinc/08/05/83/1404080583.db2.gz HNYWHEDQNCWOLC-HNNXBMFYSA-N -1 3 381.476 3.461 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ncccc32)ccc1F ZINC000045298058 1404093622 /nfs/dbraw/zinc/09/36/22/1404093622.db2.gz DXRNPGIBTHEIDZ-UHFFFAOYSA-N -1 3 385.420 3.091 20 30 GGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000045404245 1404114763 /nfs/dbraw/zinc/11/47/63/1404114763.db2.gz VAXOYNJNSFGLEX-UHFFFAOYSA-N -1 3 376.460 3.107 20 30 GGEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C[C@@H](C)C#N)c2)cc1 ZINC000045851088 1404223867 /nfs/dbraw/zinc/22/38/67/1404223867.db2.gz IJDHZXVNANJVEH-HNNXBMFYSA-N -1 3 385.489 3.336 20 30 GGEDHM CCCCOc1ccc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000046026154 1404277714 /nfs/dbraw/zinc/27/77/14/1404277714.db2.gz IZSBJJPCBFHOAP-UHFFFAOYSA-N -1 3 395.503 3.334 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000046226029 1404337937 /nfs/dbraw/zinc/33/79/37/1404337937.db2.gz KQMPADFRNXMUJS-UHFFFAOYSA-N -1 3 384.455 3.418 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2CCC)ccc1F ZINC000046302269 1404356548 /nfs/dbraw/zinc/35/65/48/1404356548.db2.gz MEPGJBYUNUTDIG-UHFFFAOYSA-N -1 3 376.453 3.495 20 30 GGEDHM CCN(CC)S(=O)(=O)c1cc(C([O-])=C(C#N)c2ccccn2)ccc1Cl ZINC000046439728 1404415851 /nfs/dbraw/zinc/41/58/51/1404415851.db2.gz KISPFPUOWXAHFO-AWEZNQCLSA-N -1 3 391.880 3.256 20 30 GGEDHM CN(c1ccccc1)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000046440042 1404415902 /nfs/dbraw/zinc/41/59/02/1404415902.db2.gz QJUQDIPTUYTWEL-LJQANCHMSA-N -1 3 391.452 3.397 20 30 GGEDHM CC[C@H]1CCc2nc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)sc2C1 ZINC000046784865 1404588341 /nfs/dbraw/zinc/58/83/41/1404588341.db2.gz RCCQKQGFVSTBFL-ZDUSSCGKSA-N -1 3 384.505 3.406 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000049764438 1405409809 /nfs/dbraw/zinc/40/98/09/1405409809.db2.gz RLTBXDNEOLCXOW-HXUWFJFHSA-N -1 3 378.476 3.335 20 30 GGEDHM C=CCn1nnnc1S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000052896054 1406218729 /nfs/dbraw/zinc/21/87/29/1406218729.db2.gz KNVVYWOEOOWBDV-VIFPVBQESA-N -1 3 386.462 3.270 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccc(Cl)cc32)ccc1F ZINC000058724927 1407870150 /nfs/dbraw/zinc/87/01/50/1407870150.db2.gz NCEBICGUVOKXLD-UHFFFAOYSA-N -1 3 394.855 3.146 20 30 GGEDHM Cc1csc(N(CC(F)(F)F)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000060543373 1407998727 /nfs/dbraw/zinc/99/87/27/1407998727.db2.gz MWEQPUKYTKCSLA-UHFFFAOYSA-N -1 3 398.410 3.156 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000060949447 1408055033 /nfs/dbraw/zinc/05/50/33/1408055033.db2.gz HWARZZSWKXEYEP-NSHDSACASA-N -1 3 394.500 3.493 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccccc1Br ZINC000060953820 1408056420 /nfs/dbraw/zinc/05/64/20/1408056420.db2.gz YELSHLJWKMCHNR-UHFFFAOYSA-N -1 3 375.222 3.164 20 30 GGEDHM COC(=O)c1cc(C(C)C)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000061316467 1408107713 /nfs/dbraw/zinc/10/77/13/1408107713.db2.gz CNPXCZHSNMMOOY-UHFFFAOYSA-N -1 3 395.459 3.345 20 30 GGEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](C)C2 ZINC000061432294 1408126985 /nfs/dbraw/zinc/12/69/85/1408126985.db2.gz NLQIKOACLGVDSZ-VIFPVBQESA-N -1 3 382.445 3.145 20 30 GGEDHM N#CC(=C([O-])c1ccnc(OCc2ccccc2)c1)c1nnc2n1CCCCC2 ZINC000064102194 1408484377 /nfs/dbraw/zinc/48/43/77/1408484377.db2.gz YIHRJWLLQOFKGV-SFHVURJKSA-N -1 3 387.443 3.469 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(OC)ccc2Cl)ccc1F ZINC000064829461 1408618191 /nfs/dbraw/zinc/61/81/91/1408618191.db2.gz QUQUSVRZZMTGNJ-UHFFFAOYSA-N -1 3 398.843 3.204 20 30 GGEDHM CCc1ccc(C(C)(C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000176535800 1428355086 /nfs/dbraw/zinc/35/50/86/1428355086.db2.gz ACXMKRKQYOKCEC-UHFFFAOYSA-N -1 3 379.504 3.452 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCOc1ccccc1Cl ZINC000066869613 1408937573 /nfs/dbraw/zinc/93/75/73/1408937573.db2.gz DQKSWJDDRLQPPM-UHFFFAOYSA-N -1 3 388.851 3.462 20 30 GGEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000066955687 1408963008 /nfs/dbraw/zinc/96/30/08/1408963008.db2.gz MTPYUEZVHRDQPO-AWEZNQCLSA-N -1 3 398.488 3.338 20 30 GGEDHM CC(=O)N[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1c(F)cccc1F ZINC000067149835 1409022926 /nfs/dbraw/zinc/02/29/26/1409022926.db2.gz DXYQHSOLCLEDMN-GFCCVEGCSA-N -1 3 375.335 3.198 20 30 GGEDHM CCc1c(C)sc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1C#N ZINC000068677508 1409466832 /nfs/dbraw/zinc/46/68/32/1409466832.db2.gz OQNOILQVTHNUMA-UHFFFAOYSA-N -1 3 395.506 3.413 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C(C)C)Nc2ccccc21 ZINC000176698328 1428417005 /nfs/dbraw/zinc/41/70/05/1428417005.db2.gz VVILGVLYQALPRY-LJQANCHMSA-N -1 3 378.476 3.279 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1N1CCCCC1 ZINC000079119315 1409960237 /nfs/dbraw/zinc/96/02/37/1409960237.db2.gz BMMMKMLFYGFFKP-UHFFFAOYSA-N -1 3 378.476 3.425 20 30 GGEDHM C=C(C)COc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)ccc1OC ZINC000091924879 1410092828 /nfs/dbraw/zinc/09/28/28/1410092828.db2.gz RSGOOZMORIXLMB-UHFFFAOYSA-N -1 3 396.487 3.314 20 30 GGEDHM Cc1ccc(C(=O)N(C)CC#N)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000101515105 1410442291 /nfs/dbraw/zinc/44/22/91/1410442291.db2.gz DAZNVRZFCKQSAP-UHFFFAOYSA-N -1 3 395.843 3.184 20 30 GGEDHM N#Cc1ccc(OCc2ccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)o2)cc1 ZINC000102752090 1410725644 /nfs/dbraw/zinc/72/56/44/1410725644.db2.gz RUXYPMPUXMDAEC-UHFFFAOYSA-N -1 3 377.282 3.119 20 30 GGEDHM N#Cc1ccc(OCc2ccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)o2)cc1 ZINC000102752090 1410725660 /nfs/dbraw/zinc/72/56/60/1410725660.db2.gz RUXYPMPUXMDAEC-UHFFFAOYSA-N -1 3 377.282 3.119 20 30 GGEDHM N#Cc1ccc(OCc2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)o2)cc1 ZINC000102752090 1410725675 /nfs/dbraw/zinc/72/56/75/1410725675.db2.gz RUXYPMPUXMDAEC-UHFFFAOYSA-N -1 3 377.282 3.119 20 30 GGEDHM COC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)n(-c2ccccc2)n1 ZINC000103329194 1410849270 /nfs/dbraw/zinc/84/92/70/1410849270.db2.gz DODFJXAWULAGMR-OAHLLOKOSA-N -1 3 399.410 3.036 20 30 GGEDHM C[C@@H](CC#N)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000103443248 1410857110 /nfs/dbraw/zinc/85/71/10/1410857110.db2.gz ZSXIXVXEUXWULD-ZDUSSCGKSA-N -1 3 375.425 3.001 20 30 GGEDHM N#Cc1cccc(OC2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)c1 ZINC000104715118 1410941144 /nfs/dbraw/zinc/94/11/44/1410941144.db2.gz GADDXEGRDMHUHV-UHFFFAOYSA-N -1 3 376.412 3.414 20 30 GGEDHM CN(C(=O)c1cccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1)c1ccccc1 ZINC000105759846 1411122840 /nfs/dbraw/zinc/12/28/40/1411122840.db2.gz CAJWTRVQAAZLRH-LJQANCHMSA-N -1 3 398.422 3.319 20 30 GGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1csc(I)c1 ZINC000107876521 1411426081 /nfs/dbraw/zinc/42/60/81/1411426081.db2.gz HOXJFAOLLOTIKW-NSHDSACASA-N -1 3 396.209 3.314 20 30 GGEDHM COc1cccc(C[C@@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000108365877 1411481745 /nfs/dbraw/zinc/48/17/45/1411481745.db2.gz QCXYNOSECYCBJP-SFHVURJKSA-N -1 3 393.487 3.038 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1ccccc1C(C)(C)C ZINC000108751937 1411598199 /nfs/dbraw/zinc/59/81/99/1411598199.db2.gz WOPFCAQYZMPYIK-UHFFFAOYSA-N -1 3 395.503 3.289 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc2cnccc21 ZINC000108937861 1411646482 /nfs/dbraw/zinc/64/64/82/1411646482.db2.gz QNVHQFBWSAKUBP-SFHVURJKSA-N -1 3 396.410 3.085 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc2ncccc21 ZINC000109038646 1411668213 /nfs/dbraw/zinc/66/82/13/1411668213.db2.gz FPMWLLCDMHZXIV-KRWDZBQOSA-N -1 3 396.410 3.085 20 30 GGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)c1 ZINC000109426033 1411760670 /nfs/dbraw/zinc/76/06/70/1411760670.db2.gz IHYWORFDKDDOTC-UHFFFAOYSA-N -1 3 393.896 3.123 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000109486014 1411773594 /nfs/dbraw/zinc/77/35/94/1411773594.db2.gz ZYTRZOUYTKEDEO-UHFFFAOYSA-N -1 3 378.476 3.499 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2cccc3cccnc32)no1 ZINC000109519392 1411778463 /nfs/dbraw/zinc/77/84/63/1411778463.db2.gz XSFZQGWIYYINCJ-UHFFFAOYSA-N -1 3 385.427 3.171 20 30 GGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(OCC#N)cc3)c2)n1 ZINC000110224651 1411838766 /nfs/dbraw/zinc/83/87/66/1411838766.db2.gz BQBPDFKPPFKJPM-UHFFFAOYSA-N -1 3 388.427 3.083 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3c2ccn3C)ccc1F ZINC000110496045 1411853038 /nfs/dbraw/zinc/85/30/38/1411853038.db2.gz GMVKZPVXZPOCPT-UHFFFAOYSA-N -1 3 387.436 3.034 20 30 GGEDHM Cc1nc2c(s1)[C@@H](N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2 ZINC000110529887 1411856079 /nfs/dbraw/zinc/85/60/79/1411856079.db2.gz PBROZGVRWBCATL-KRWDZBQOSA-N -1 3 384.505 3.097 20 30 GGEDHM C=CC1CCN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)CC1 ZINC000111256686 1411897923 /nfs/dbraw/zinc/89/79/23/1411897923.db2.gz DESQKQMTXJXEHY-LBPRGKRZSA-N -1 3 375.494 3.429 20 30 GGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(Cl)nc(N3CCCC3)c2)c1 ZINC000112758899 1412213377 /nfs/dbraw/zinc/21/33/77/1412213377.db2.gz MKEWOPXTOPDWBA-INIZCTEOSA-N -1 3 398.850 3.305 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000113215420 1412277632 /nfs/dbraw/zinc/27/76/32/1412277632.db2.gz YDESWWRIOWCAEL-HSZRJFAPSA-N -1 3 377.488 3.376 20 30 GGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000114673870 1412493670 /nfs/dbraw/zinc/49/36/70/1412493670.db2.gz BCBYIMUMVTYIKT-IYBDPMFKSA-N -1 3 385.489 3.281 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccco1)Cc1cccnc1 ZINC000115571560 1412716853 /nfs/dbraw/zinc/71/68/53/1412716853.db2.gz GSMVDPTYFPUTFB-UHFFFAOYSA-N -1 3 390.443 3.013 20 30 GGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2sc(-c3cnn(C)c3)nc2C)cc1 ZINC000115904166 1412813810 /nfs/dbraw/zinc/81/38/10/1412813810.db2.gz GTNDLLKGTZCASX-MRXNPFEDSA-N -1 3 393.472 3.376 20 30 GGEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000116809552 1412926998 /nfs/dbraw/zinc/92/69/98/1412926998.db2.gz FBSOTFLXMGOZSD-BFUOFWGJSA-N -1 3 395.500 3.105 20 30 GGEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n(-c2ccccc2F)n1 ZINC000116922321 1412955940 /nfs/dbraw/zinc/95/59/40/1412955940.db2.gz WAUBJOIODPSWIT-UHFFFAOYSA-N -1 3 393.422 3.068 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000117822777 1413080940 /nfs/dbraw/zinc/08/09/40/1413080940.db2.gz VBOSSMDZPLPXQF-NRFANRHFSA-N -1 3 392.503 3.226 20 30 GGEDHM COc1cc(OC)cc([C@@H](O)C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000118169681 1413118498 /nfs/dbraw/zinc/11/84/98/1413118498.db2.gz CRMRATCXYLUIBQ-IFQVXRHPSA-N -1 3 380.238 3.324 20 30 GGEDHM CCc1nc2c(s1)[C@H](N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2 ZINC000119062607 1413322064 /nfs/dbraw/zinc/32/20/64/1413322064.db2.gz CQTZYSLRGIEQIO-QGZVFWFLSA-N -1 3 398.532 3.351 20 30 GGEDHM N#CC(=C([O-])c1ccc(OCC(N)=O)cc1)c1nc2cc(Cl)ccc2s1 ZINC000119993711 1413645533 /nfs/dbraw/zinc/64/55/33/1413645533.db2.gz NEMPCZXYIRITIU-CYBMUJFWSA-N -1 3 385.832 3.304 20 30 GGEDHM C=CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000120097837 1413686691 /nfs/dbraw/zinc/68/66/91/1413686691.db2.gz OUKFPYUPZMFWGE-UHFFFAOYSA-N -1 3 394.518 3.422 20 30 GGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3Cl)c2)c1 ZINC000120455024 1413821525 /nfs/dbraw/zinc/82/15/25/1413821525.db2.gz RCNLOLPAHOJUMH-INIZCTEOSA-N -1 3 394.818 3.495 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000121026275 1413981046 /nfs/dbraw/zinc/98/10/46/1413981046.db2.gz QWNYAGKZWQGDGZ-CXAGYDPISA-N -1 3 387.842 3.261 20 30 GGEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccn1 ZINC000121180206 1414035118 /nfs/dbraw/zinc/03/51/18/1414035118.db2.gz BTADXBKLLIPOSS-HXUWFJFHSA-N -1 3 397.431 3.169 20 30 GGEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccccn1 ZINC000121212221 1414045428 /nfs/dbraw/zinc/04/54/28/1414045428.db2.gz JSUVRGWAOHWSNM-FQEVSTJZSA-N -1 3 397.431 3.169 20 30 GGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(OC)cc3)n2)cc1 ZINC000121302259 1414076949 /nfs/dbraw/zinc/07/69/49/1414076949.db2.gz LHYKIWKIICCDAU-LJQANCHMSA-N -1 3 388.427 3.404 20 30 GGEDHM COC(=O)c1c(C2CC2)csc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000177522536 1428780574 /nfs/dbraw/zinc/78/05/74/1428780574.db2.gz WAAPSWJVMLONRL-UHFFFAOYSA-N -1 3 399.472 3.160 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000121385174 1414103217 /nfs/dbraw/zinc/10/32/17/1414103217.db2.gz AEZPSMRWJKLVCK-NQIIRXRSSA-N -1 3 377.488 3.324 20 30 GGEDHM CCNS(=O)(=O)c1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000121546275 1414171648 /nfs/dbraw/zinc/17/16/48/1414171648.db2.gz GNUMXXIIMWBLTB-WOJGMQOQSA-N -1 3 397.294 3.072 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)c1nc2ccccc2s1 ZINC000121802232 1414261897 /nfs/dbraw/zinc/26/18/97/1414261897.db2.gz FCJHGPZPLOYFES-GFCCVEGCSA-N -1 3 394.500 3.326 20 30 GGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000121859814 1414281571 /nfs/dbraw/zinc/28/15/71/1414281571.db2.gz ZEJXGEBKUBIOID-AWEZNQCLSA-N -1 3 399.332 3.247 20 30 GGEDHM C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000123360310 1414705913 /nfs/dbraw/zinc/70/59/13/1414705913.db2.gz AXEHBIWSUPRQGG-UHFFFAOYSA-N -1 3 396.491 3.143 20 30 GGEDHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000124437465 1414968082 /nfs/dbraw/zinc/96/80/82/1414968082.db2.gz HMYQNNIYHKZSPR-SJCJKPOMSA-N -1 3 392.864 3.040 20 30 GGEDHM COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1N1CCNC1=O ZINC000177761563 1428852092 /nfs/dbraw/zinc/85/20/92/1428852092.db2.gz YNZMLOGWFIJLPV-ZDUSSCGKSA-N -1 3 384.461 3.295 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000125293727 1415155462 /nfs/dbraw/zinc/15/54/62/1415155462.db2.gz NAHVIOYKRXACKJ-UHFFFAOYSA-N -1 3 379.338 3.159 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc(Cl)c1 ZINC000125534065 1415221527 /nfs/dbraw/zinc/22/15/27/1415221527.db2.gz OAKXGQNHVKMIFG-MRXNPFEDSA-N -1 3 379.807 3.190 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000125700512 1415257390 /nfs/dbraw/zinc/25/73/90/1415257390.db2.gz UFDXMPKMXJJJHI-HNNXBMFYSA-N -1 3 390.443 3.328 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1ncccn1)C1CCCC1 ZINC000126108144 1415359898 /nfs/dbraw/zinc/35/98/98/1415359898.db2.gz XDWDABPPZNDYFL-LJQANCHMSA-N -1 3 380.448 3.061 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000126464670 1415460795 /nfs/dbraw/zinc/46/07/95/1415460795.db2.gz STSIWJGJEXXBBJ-AZUAARDMSA-N -1 3 397.519 3.327 20 30 GGEDHM CC#CCNC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCC)c(Cl)cc1Cl ZINC000126647725 1415516603 /nfs/dbraw/zinc/51/66/03/1415516603.db2.gz LKPWISWGBREMKQ-NSHDSACASA-N -1 3 391.320 3.213 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)=O)c(C)c2)ccc1F ZINC000127168861 1415677580 /nfs/dbraw/zinc/67/75/80/1415677580.db2.gz DTEFLUSZNFFEKN-UHFFFAOYSA-N -1 3 390.436 3.053 20 30 GGEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cn(Cc2ccccc2)nn1 ZINC000128757272 1416060405 /nfs/dbraw/zinc/06/04/05/1416060405.db2.gz IULMZSNUUJACJU-IBGZPJMESA-N -1 3 395.422 3.441 20 30 GGEDHM Cc1c(C#N)cccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000178390646 1429067566 /nfs/dbraw/zinc/06/75/66/1429067566.db2.gz WAMXSVUYKPDIFB-UHFFFAOYSA-N -1 3 389.452 3.335 20 30 GGEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1 ZINC000130469191 1416382902 /nfs/dbraw/zinc/38/29/02/1416382902.db2.gz KSXLIWIUVGZHEV-KPZWWZAWSA-N -1 3 392.502 3.439 20 30 GGEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc(N)c([N+](=O)[O-])c1 ZINC000130477620 1416384855 /nfs/dbraw/zinc/38/48/55/1416384855.db2.gz CXVFTANMAQXSFE-LBPRGKRZSA-N -1 3 393.186 3.445 20 30 GGEDHM Cc1cc(Br)ccc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000131342501 1416542773 /nfs/dbraw/zinc/54/27/73/1416542773.db2.gz FBMWWSCAVKMIAD-UHFFFAOYSA-N -1 3 389.249 3.473 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C3CC3)n(C(C)(C)C)n2)cc1 ZINC000131825995 1416629569 /nfs/dbraw/zinc/62/95/69/1416629569.db2.gz ICPMUOIRLHVWAU-MRXNPFEDSA-N -1 3 380.448 3.485 20 30 GGEDHM CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000132249610 1416723902 /nfs/dbraw/zinc/72/39/02/1416723902.db2.gz LMIVJJRRKQOKPR-MOPGFXCFSA-N -1 3 387.524 3.238 20 30 GGEDHM CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000132250172 1416724089 /nfs/dbraw/zinc/72/40/89/1416724089.db2.gz LMIVJJRRKQOKPR-RBUKOAKNSA-N -1 3 387.524 3.238 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000135206481 1417188057 /nfs/dbraw/zinc/18/80/57/1417188057.db2.gz RCZUMCCLIWURTJ-KRWDZBQOSA-N -1 3 381.451 3.026 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000135206459 1417188165 /nfs/dbraw/zinc/18/81/65/1417188165.db2.gz RCZUMCCLIWURTJ-QGZVFWFLSA-N -1 3 381.451 3.026 20 30 GGEDHM Cc1cccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2Cl)c1C#N ZINC000137263213 1417378613 /nfs/dbraw/zinc/37/86/13/1417378613.db2.gz GDHASWZCDXOGLX-UHFFFAOYSA-N -1 3 389.864 3.448 20 30 GGEDHM Cc1nc(-c2cccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2)[nH]c1C ZINC000142530950 1417590727 /nfs/dbraw/zinc/59/07/27/1417590727.db2.gz MHPSHESBWNSWED-UHFFFAOYSA-N -1 3 389.459 3.442 20 30 GGEDHM N#CCCn1cc(C([O-])=C(C#N)c2ccccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000146863596 1417733091 /nfs/dbraw/zinc/73/30/91/1417733091.db2.gz KZEGJQHUPYBONS-INIZCTEOSA-N -1 3 386.371 3.257 20 30 GGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)C[C@H](C)C#N ZINC000148234196 1417760838 /nfs/dbraw/zinc/76/08/38/1417760838.db2.gz DWJSJQWXDWSBRT-CYBMUJFWSA-N -1 3 389.452 3.167 20 30 GGEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCC#N)c1ccccc1 ZINC000178883209 1429210106 /nfs/dbraw/zinc/21/01/06/1429210106.db2.gz CSCFJOJJLPFKHM-MRXNPFEDSA-N -1 3 392.864 3.450 20 30 GGEDHM CCCOc1cc(C)ccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000150796813 1417808557 /nfs/dbraw/zinc/80/85/57/1417808557.db2.gz TTWQPAFYMYIRAT-UHFFFAOYSA-N -1 3 381.476 3.210 20 30 GGEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CCC#N)CC(C)(C)C)c1 ZINC000179483282 1429389610 /nfs/dbraw/zinc/38/96/10/1429389610.db2.gz NBTGRRHBKKSVQD-UHFFFAOYSA-N -1 3 384.436 3.343 20 30 GGEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)C2CCCCC2)c1 ZINC000179535948 1429416672 /nfs/dbraw/zinc/41/66/72/1429416672.db2.gz HTKFFQXIZYEZLM-QGZVFWFLSA-N -1 3 382.420 3.143 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc(F)c2F)ccc1F ZINC000152743545 1422233391 /nfs/dbraw/zinc/23/33/91/1422233391.db2.gz GIRCENVMUCRLPY-NSHDSACASA-N -1 3 398.406 3.059 20 30 GGEDHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000153976212 1422819918 /nfs/dbraw/zinc/81/99/18/1422819918.db2.gz IRSFBJYOWWYOPG-UHFFFAOYSA-N -1 3 387.530 3.216 20 30 GGEDHM C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000154543557 1422916762 /nfs/dbraw/zinc/91/67/62/1422916762.db2.gz DAFNYEHHZLRTEY-ZDUSSCGKSA-N -1 3 391.880 3.238 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000154851717 1423055122 /nfs/dbraw/zinc/05/51/22/1423055122.db2.gz SYDIXZLRPKDAIU-UHFFFAOYSA-N -1 3 383.879 3.297 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000179857831 1429612672 /nfs/dbraw/zinc/61/26/72/1429612672.db2.gz QENIVNUIWOWPRA-UHFFFAOYSA-N -1 3 385.374 3.249 20 30 GGEDHM Cc1cn(-c2ccccc2Cl)nc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000155609838 1423444048 /nfs/dbraw/zinc/44/40/48/1423444048.db2.gz QTCUIOOTLHEANB-CYBMUJFWSA-N -1 3 379.807 3.190 20 30 GGEDHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000155725533 1423505661 /nfs/dbraw/zinc/50/56/61/1423505661.db2.gz HTOAUDYWFUCUNP-LJQANCHMSA-N -1 3 395.507 3.280 20 30 GGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccc(OCC(F)F)nc1 ZINC000156091087 1423667604 /nfs/dbraw/zinc/66/76/04/1423667604.db2.gz JUSOUTYSJZHRLG-LLVKDONJSA-N -1 3 397.740 3.479 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2cccc(O)c2)cs1 ZINC000156175403 1423707183 /nfs/dbraw/zinc/70/71/83/1423707183.db2.gz BXXYTFURXSSFFP-UHFFFAOYSA-N -1 3 394.456 3.264 20 30 GGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1 ZINC000156181707 1423710286 /nfs/dbraw/zinc/71/02/86/1423710286.db2.gz YCPWWENJJPNQTN-UHFFFAOYSA-N -1 3 387.505 3.086 20 30 GGEDHM COc1ccc([C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C(C)C)cc1 ZINC000156236473 1423737556 /nfs/dbraw/zinc/73/75/56/1423737556.db2.gz JBUIKGNUAUIZNO-GOSISDBHSA-N -1 3 389.433 3.151 20 30 GGEDHM N#CC(=C([O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000156653991 1423841706 /nfs/dbraw/zinc/84/17/06/1423841706.db2.gz SIBYWMIPTVYZMR-ZDUSSCGKSA-N -1 3 393.325 3.422 20 30 GGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Cl)cc(Br)c1 ZINC000156657208 1423842624 /nfs/dbraw/zinc/84/26/24/1423842624.db2.gz JOYFFPLRVBFUEP-GFCCVEGCSA-N -1 3 378.613 3.459 20 30 GGEDHM CCO[C@@H]1C[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000156748998 1423858782 /nfs/dbraw/zinc/85/87/82/1423858782.db2.gz HZVGRGORSJKJHU-WOJBJXKFSA-N -1 3 399.535 3.382 20 30 GGEDHM O=C1[C@@H](/N=C/c2cc(Br)ccc2[O-])CCCN1CC(F)(F)F ZINC000157196502 1423952617 /nfs/dbraw/zinc/95/26/17/1423952617.db2.gz YYITUIMBOSPWIH-MDIIPYEWSA-N -1 3 379.176 3.127 20 30 GGEDHM CC(C)CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1 ZINC000158744439 1424332323 /nfs/dbraw/zinc/33/23/23/1424332323.db2.gz MHTGKZXPBSYOSG-GFCCVEGCSA-N -1 3 377.807 3.078 20 30 GGEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(N(C)C)cc2F)C1=O ZINC000161673897 1424738109 /nfs/dbraw/zinc/73/81/09/1424738109.db2.gz NOCYRRCCJSTABC-HXUWFJFHSA-N -1 3 392.475 3.208 20 30 GGEDHM CC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000162137342 1424819001 /nfs/dbraw/zinc/81/90/01/1424819001.db2.gz SKGOZJCETBELTD-GOSISDBHSA-N -1 3 375.425 3.049 20 30 GGEDHM C=CCN1C(=S)N=NC1c1sc([N-]c2ncnc3ncccc23)nc1C ZINC000163221536 1424961252 /nfs/dbraw/zinc/96/12/52/1424961252.db2.gz RAGWDZUGKJYFGV-UHFFFAOYSA-N -1 3 382.478 3.267 20 30 GGEDHM N#Cc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1C(F)(F)F ZINC000165669049 1425191710 /nfs/dbraw/zinc/19/17/10/1425191710.db2.gz RGMAMPZKQMNQMY-UHFFFAOYSA-N -1 3 375.350 3.245 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000170715242 1425313938 /nfs/dbraw/zinc/31/39/38/1425313938.db2.gz YHDMKWKNFSFTPR-UHFFFAOYSA-N -1 3 380.448 3.151 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc2onc(CC)c2c1 ZINC000171266279 1425583314 /nfs/dbraw/zinc/58/33/14/1425583314.db2.gz ICGJTPYQUMTOKR-CQSZACIVSA-N -1 3 378.388 3.145 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccsc1)c1cccnc1 ZINC000171353480 1425633895 /nfs/dbraw/zinc/63/38/95/1425633895.db2.gz FAKXQUVRAGVCHB-UHFFFAOYSA-N -1 3 392.484 3.486 20 30 GGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCCCC#N ZINC000171594863 1425752906 /nfs/dbraw/zinc/75/29/06/1425752906.db2.gz WYLRIVJHVUDXAV-UHFFFAOYSA-N -1 3 389.452 3.359 20 30 GGEDHM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000172366868 1426016189 /nfs/dbraw/zinc/01/61/89/1426016189.db2.gz MWKZUQSCACPUJF-IBGZPJMESA-N -1 3 386.473 3.252 20 30 GGEDHM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000172366873 1426016383 /nfs/dbraw/zinc/01/63/83/1426016383.db2.gz MWKZUQSCACPUJF-LJQANCHMSA-N -1 3 386.473 3.252 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)cc1OC(F)F ZINC000172727726 1426162955 /nfs/dbraw/zinc/16/29/55/1426162955.db2.gz XYAGXZWVVPLHLQ-UHFFFAOYSA-N -1 3 379.338 3.175 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000173103094 1426343256 /nfs/dbraw/zinc/34/32/56/1426343256.db2.gz MCGQFZRQRCKLGG-FQEVSTJZSA-N -1 3 383.467 3.319 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000173167134 1426373998 /nfs/dbraw/zinc/37/39/98/1426373998.db2.gz UKECORTUGBAVSB-UHFFFAOYSA-N -1 3 389.415 3.017 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000173233386 1426419611 /nfs/dbraw/zinc/41/96/11/1426419611.db2.gz UTKYASQUHVFTFJ-KRWDZBQOSA-N -1 3 395.528 3.437 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c2nsnc2ccc1Cl ZINC000173266000 1426443207 /nfs/dbraw/zinc/44/32/07/1426443207.db2.gz UAZUOLJWRISOOD-UHFFFAOYSA-N -1 3 387.852 3.093 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000173606641 1426781799 /nfs/dbraw/zinc/78/17/99/1426781799.db2.gz MFSTXNIQZZKNFH-NSHDSACASA-N -1 3 385.851 3.264 20 30 GGEDHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000820413769 1426911123 /nfs/dbraw/zinc/91/11/23/1426911123.db2.gz VSJPFGNHIWMYPL-RYUDHWBXSA-N -1 3 395.854 3.070 20 30 GGEDHM C[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000820413769 1426911125 /nfs/dbraw/zinc/91/11/25/1426911125.db2.gz VSJPFGNHIWMYPL-RYUDHWBXSA-N -1 3 395.854 3.070 20 30 GGEDHM CC(C)c1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1F ZINC000173965339 1426913695 /nfs/dbraw/zinc/91/36/95/1426913695.db2.gz HQIWRMALCKZQDM-HNNXBMFYSA-N -1 3 391.406 3.491 20 30 GGEDHM CC(C)CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1F ZINC000174011391 1426942071 /nfs/dbraw/zinc/94/20/71/1426942071.db2.gz OPZVNGZWSMUFBB-CQSZACIVSA-N -1 3 382.395 3.166 20 30 GGEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000174350319 1427115248 /nfs/dbraw/zinc/11/52/48/1427115248.db2.gz YXAUYMOABCVTOD-UHFFFAOYSA-N -1 3 380.473 3.192 20 30 GGEDHM CCO[C@@H]1C[C@@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000174593217 1427246609 /nfs/dbraw/zinc/24/66/09/1427246609.db2.gz NBSZNEOATZFIKE-RTBURBONSA-N -1 3 386.492 3.467 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(OC)c3)no2)ccc1F ZINC000174854530 1427408926 /nfs/dbraw/zinc/40/89/26/1427408926.db2.gz ZGBHAVNQODGIJG-UHFFFAOYSA-N -1 3 389.408 3.016 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(OC(F)(F)F)cc1 ZINC000174874003 1427421125 /nfs/dbraw/zinc/42/11/25/1427421125.db2.gz CGMAUSIWOWNDLJ-UHFFFAOYSA-N -1 3 380.322 3.300 20 30 GGEDHM CCO[C@@H]1C[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(CC)CC ZINC000175241786 1427622467 /nfs/dbraw/zinc/62/24/67/1427622467.db2.gz OMXUVKHEPCKZBJ-RBUKOAKNSA-N -1 3 387.524 3.238 20 30 GGEDHM CCCCO[C@@H]1C[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C ZINC000175695394 1427861340 /nfs/dbraw/zinc/86/13/40/1427861340.db2.gz FTDLMDIXTOJMCA-RTBURBONSA-N -1 3 387.524 3.238 20 30 GGEDHM C=CCOCCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175767620 1427885270 /nfs/dbraw/zinc/88/52/70/1427885270.db2.gz QFTAEEZTVHYGGE-UHFFFAOYSA-N -1 3 380.872 3.206 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175867146 1427941665 /nfs/dbraw/zinc/94/16/65/1427941665.db2.gz WYZGCUPERGBOMH-NSHDSACASA-N -1 3 388.836 3.301 20 30 GGEDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000175967465 1428003574 /nfs/dbraw/zinc/00/35/74/1428003574.db2.gz TXKHHJTWAYNZSN-UHFFFAOYSA-N -1 3 375.453 3.452 20 30 GGEDHM C[C@H](c1ccc(C#N)cc1)N1CCN([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736197880 1428183842 /nfs/dbraw/zinc/18/38/42/1428183842.db2.gz CPDHVZYNCQZTRA-IAGOWNOFSA-N -1 3 387.491 3.178 20 30 GGEDHM COc1c(C)cc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1C ZINC000180735261 1430007703 /nfs/dbraw/zinc/00/77/03/1430007703.db2.gz XPSWKEQDAIPGRL-INIZCTEOSA-N -1 3 388.431 3.313 20 30 GGEDHM COc1c(C)cc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1C ZINC000180735243 1430007775 /nfs/dbraw/zinc/00/77/75/1430007775.db2.gz XPSWKEQDAIPGRL-MRXNPFEDSA-N -1 3 388.431 3.313 20 30 GGEDHM COCCn1ccc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc21 ZINC000180751692 1430018097 /nfs/dbraw/zinc/01/80/97/1430018097.db2.gz IUPNZWXWYGSTCO-UHFFFAOYSA-N -1 3 392.459 3.036 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)cc1OCC(F)F ZINC000180794253 1430043677 /nfs/dbraw/zinc/04/36/77/1430043677.db2.gz FDQYBVGDKQFQET-UHFFFAOYSA-N -1 3 393.365 3.218 20 30 GGEDHM CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1(C#N)CCC1 ZINC000182222777 1430432727 /nfs/dbraw/zinc/43/27/27/1430432727.db2.gz NVGRPPLIOYMZNX-IBGZPJMESA-N -1 3 377.444 3.158 20 30 GGEDHM CCN(C[C@H](C)C#N)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183376204 1430693886 /nfs/dbraw/zinc/69/38/86/1430693886.db2.gz LWIYPVFTEABGTA-UZLBHIALSA-N -1 3 379.460 3.262 20 30 GGEDHM N#CCCN(CC1CC1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184139015 1430846269 /nfs/dbraw/zinc/84/62/69/1430846269.db2.gz NINAWDQMBAYGHH-NRFANRHFSA-N -1 3 391.471 3.406 20 30 GGEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c(F)c1 ZINC000184891697 1431014435 /nfs/dbraw/zinc/01/44/35/1431014435.db2.gz NYSCYPIQTACWGL-ZDUSSCGKSA-N -1 3 394.399 3.053 20 30 GGEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000184971843 1431033894 /nfs/dbraw/zinc/03/38/94/1431033894.db2.gz CTVDUBVRPDSCTO-UHFFFAOYSA-N -1 3 390.399 3.085 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)c(O)c(C)c2C)ccc1F ZINC000185718030 1431214429 /nfs/dbraw/zinc/21/44/29/1431214429.db2.gz HFRCVKTYEGAGHJ-UHFFFAOYSA-N -1 3 392.452 3.173 20 30 GGEDHM COc1ccccc1C1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCC1 ZINC000185914471 1431276794 /nfs/dbraw/zinc/27/67/94/1431276794.db2.gz ZAFFDSLNLWBMLO-UHFFFAOYSA-N -1 3 393.487 3.043 20 30 GGEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2cc(COc3ccccc3F)on2)n1 ZINC000185955682 1431294451 /nfs/dbraw/zinc/29/44/51/1431294451.db2.gz RMSSSHDMYKHHMB-UHFFFAOYSA-N -1 3 383.383 3.468 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000186241073 1431360023 /nfs/dbraw/zinc/36/00/23/1431360023.db2.gz BQWTVMJQSPRAJR-IBGZPJMESA-N -1 3 399.878 3.050 20 30 GGEDHM COc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1OC(C)C ZINC000186650866 1431480750 /nfs/dbraw/zinc/48/07/50/1431480750.db2.gz LYWJPERCTZLWIS-UHFFFAOYSA-N -1 3 383.448 3.231 20 30 GGEDHM N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc4n[n-]nc43)c2)c1 ZINC000187281275 1431680269 /nfs/dbraw/zinc/68/02/69/1431680269.db2.gz MBSHGLQYHOUQML-UHFFFAOYSA-N -1 3 382.383 3.334 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000187293576 1431684398 /nfs/dbraw/zinc/68/43/98/1431684398.db2.gz JMNHDSLNFITPCB-UHFFFAOYSA-N -1 3 382.508 3.411 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000187750258 1431807951 /nfs/dbraw/zinc/80/79/51/1431807951.db2.gz DVXUGVDXVGPYBA-RTBURBONSA-N -1 3 377.488 3.324 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000187750290 1431808102 /nfs/dbraw/zinc/80/81/02/1431808102.db2.gz DVXUGVDXVGPYBA-RBUKOAKNSA-N -1 3 377.488 3.324 20 30 GGEDHM CC[C@@]1(C)Oc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2O1 ZINC000188642372 1431915754 /nfs/dbraw/zinc/91/57/54/1431915754.db2.gz TYCIYJHQUJEYLX-NRFANRHFSA-N -1 3 381.432 3.332 20 30 GGEDHM COc1ccc([C@H](CNC(=O)c2ccc(C#N)c([O-])c2)N2CCCCC2)cc1 ZINC000189849208 1432252877 /nfs/dbraw/zinc/25/28/77/1432252877.db2.gz YWTOJEWZNRVCPG-FQEVSTJZSA-N -1 3 379.460 3.229 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)Oc2c(Cl)cccc21 ZINC000189853732 1432253837 /nfs/dbraw/zinc/25/38/37/1432253837.db2.gz XAMYXBWUVVZLDU-LLVKDONJSA-N -1 3 385.851 3.264 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2NCCC)ccc1F ZINC000190139724 1432326762 /nfs/dbraw/zinc/32/67/62/1432326762.db2.gz ATULYWZEURFVSH-UHFFFAOYSA-N -1 3 391.468 3.364 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](Cc1ccccc1)C(C)C ZINC000190739884 1432463752 /nfs/dbraw/zinc/46/37/52/1432463752.db2.gz BTHGXFMBUCZXRY-IBGZPJMESA-N -1 3 379.504 3.427 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3ncsc3c2)ccc1F ZINC000192462279 1432847416 /nfs/dbraw/zinc/84/74/16/1432847416.db2.gz NJWUYLVJVFFFMH-UHFFFAOYSA-N -1 3 391.449 3.152 20 30 GGEDHM CCOc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc(Cl)c1[O-] ZINC000192882173 1432902737 /nfs/dbraw/zinc/90/27/37/1432902737.db2.gz ZNSNKCZFZKHCGN-GHXNOFRVSA-N -1 3 378.833 3.498 20 30 GGEDHM Cc1nc(-c2ncccn2)sc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000193376636 1432987700 /nfs/dbraw/zinc/98/77/00/1432987700.db2.gz SZPWHGPYEDKWNC-CQSZACIVSA-N -1 3 377.429 3.178 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(Cc2ccccc2)c1C ZINC000193471053 1433004634 /nfs/dbraw/zinc/00/46/34/1433004634.db2.gz LDNVRRBAVCJDIS-KRWDZBQOSA-N -1 3 388.427 3.210 20 30 GGEDHM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)s1 ZINC000193707392 1433044375 /nfs/dbraw/zinc/04/43/75/1433044375.db2.gz RLKQESWDRCZWLW-HNNXBMFYSA-N -1 3 398.488 3.067 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc(C)cc1 ZINC000194173297 1433131782 /nfs/dbraw/zinc/13/17/82/1433131782.db2.gz KUZKXQCJYRSNLL-QGZVFWFLSA-N -1 3 393.834 3.499 20 30 GGEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n(-c2ccc(F)cc2)n1 ZINC000194421253 1433175456 /nfs/dbraw/zinc/17/54/56/1433175456.db2.gz WXGJUBAGUYDSDN-UHFFFAOYSA-N -1 3 393.422 3.068 20 30 GGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c1 ZINC000243841917 1433451224 /nfs/dbraw/zinc/45/12/24/1433451224.db2.gz RBGXCDCWBQAJTA-UHFFFAOYSA-N -1 3 385.489 3.003 20 30 GGEDHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C([O-])=C(C#N)c3ccccn3)c2)C1 ZINC000249523359 1433846113 /nfs/dbraw/zinc/84/61/13/1433846113.db2.gz PSICLSKWIMTNHQ-GPMSIDNRSA-N -1 3 397.500 3.238 20 30 GGEDHM CS(=O)(=O)Cc1ccccc1C/N=C\c1cc(Br)ccc1[O-] ZINC000255280055 1433879068 /nfs/dbraw/zinc/87/90/68/1433879068.db2.gz RKWKEKBITXMHRA-ZDLGFXPLSA-N -1 3 382.279 3.318 20 30 GGEDHM CCOc1cccc(C=Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1O ZINC000255507091 1433883846 /nfs/dbraw/zinc/88/38/46/1433883846.db2.gz KGGFZCNAIGKJFQ-UHFFFAOYSA-N -1 3 378.425 3.121 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261645023 1433898111 /nfs/dbraw/zinc/89/81/11/1433898111.db2.gz DTXASTXDCLDWDF-IBGZPJMESA-N -1 3 398.894 3.035 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCNC[C@@H]1c1ccccc1Cl ZINC000261941117 1433914881 /nfs/dbraw/zinc/91/48/81/1433914881.db2.gz KMPBFPCDDGIPNY-LJQANCHMSA-N -1 3 398.894 3.035 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000264125812 1434073889 /nfs/dbraw/zinc/07/38/89/1434073889.db2.gz XVZBEDUJBZUKMD-LJQANCHMSA-N -1 3 399.878 3.462 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000264181220 1434078832 /nfs/dbraw/zinc/07/88/32/1434078832.db2.gz MRBAPRCSAXULQW-UHFFFAOYSA-N -1 3 386.521 3.321 20 30 GGEDHM COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(/N=C/c2cccc([O-])c2O)c1 ZINC000264888618 1434162460 /nfs/dbraw/zinc/16/24/60/1434162460.db2.gz ZTCLCJMRGHJQNP-KOWBDXASSA-N -1 3 382.416 3.016 20 30 GGEDHM N#Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)c2)c1 ZINC000265843583 1434271435 /nfs/dbraw/zinc/27/14/35/1434271435.db2.gz DUUKGELRLPAMIA-IBGZPJMESA-N -1 3 399.472 3.121 20 30 GGEDHM Cc1nc(-c2ccc(C)c(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2)n[nH]1 ZINC000267132578 1434409535 /nfs/dbraw/zinc/40/95/35/1434409535.db2.gz DWIUXYHMPLLIKJ-UHFFFAOYSA-N -1 3 390.447 3.249 20 30 GGEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000267510094 1434442326 /nfs/dbraw/zinc/44/23/26/1434442326.db2.gz ILNDZDUHHVGTFW-QGZVFWFLSA-N -1 3 389.452 3.295 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1CC(=O)c1ccco1 ZINC000268238673 1434504146 /nfs/dbraw/zinc/50/41/46/1434504146.db2.gz QITKGUYOUSMMFY-HNNXBMFYSA-N -1 3 381.432 3.065 20 30 GGEDHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)[C@H](C)CC#N)c2)c1 ZINC000271301043 1434814450 /nfs/dbraw/zinc/81/44/50/1434814450.db2.gz QVHCVSLPYCPZEP-CYBMUJFWSA-N -1 3 397.431 3.036 20 30 GGEDHM C=CCN(C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-])C1CC1 ZINC000271385236 1434820898 /nfs/dbraw/zinc/82/08/98/1434820898.db2.gz KIPOMEFXMTYTAE-UHFFFAOYSA-N -1 3 396.443 3.452 20 30 GGEDHM COc1ccc([C@H](OC)[C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000271643923 1434841377 /nfs/dbraw/zinc/84/13/77/1434841377.db2.gz GXSWFSZGROKMRC-YCRPNKLZSA-N -1 3 397.475 3.109 20 30 GGEDHM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000271765364 1434848933 /nfs/dbraw/zinc/84/89/33/1434848933.db2.gz BMAGZJPULRHZSF-VBKZILBWSA-N -1 3 385.439 3.240 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1[C@H](O)C(F)(F)F ZINC000272217672 1434878755 /nfs/dbraw/zinc/87/87/55/1434878755.db2.gz JQYGCHDXCBKFAZ-KRWDZBQOSA-N -1 3 393.365 3.443 20 30 GGEDHM CC(C)(C)[C@@H](C#N)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272725905 1434926228 /nfs/dbraw/zinc/92/62/28/1434926228.db2.gz IPKMZTMLVWOUCI-RBUKOAKNSA-N -1 3 379.460 3.308 20 30 GGEDHM COC(=O)Nc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000272896311 1434939475 /nfs/dbraw/zinc/93/94/75/1434939475.db2.gz XYLYHXQGTRWHTP-UHFFFAOYSA-N -1 3 386.383 3.164 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(OCC3CC3)nc2)no1 ZINC000273892250 1435025886 /nfs/dbraw/zinc/02/58/86/1435025886.db2.gz PMFKGEMJPWAQPU-UHFFFAOYSA-N -1 3 391.431 3.295 20 30 GGEDHM CCCC(C#N)(CCC)[N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000274680658 1435084988 /nfs/dbraw/zinc/08/49/88/1435084988.db2.gz RCTAHRRYSHTJEG-UHFFFAOYSA-N -1 3 395.450 3.224 20 30 GGEDHM CCc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)onc1C(F)(F)F ZINC000274689566 1435085631 /nfs/dbraw/zinc/08/56/31/1435085631.db2.gz MDIRMGZHUDLDRI-UHFFFAOYSA-N -1 3 382.342 3.416 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3ccccc3C(F)(F)F)C2)c1[O-] ZINC000274718079 1435087460 /nfs/dbraw/zinc/08/74/60/1435087460.db2.gz BJTFMFNVDAKAEI-GNIOVPSRSA-N -1 3 379.382 3.305 20 30 GGEDHM Cc1cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)ccc1C#N ZINC000277710658 1435323758 /nfs/dbraw/zinc/32/37/58/1435323758.db2.gz WNHVUGVQNYSCLC-GOSISDBHSA-N -1 3 382.445 3.395 20 30 GGEDHM C=C[C@H](CC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)c1ccccc1 ZINC000277867730 1435337550 /nfs/dbraw/zinc/33/75/50/1435337550.db2.gz YLBRCHUIFVCSBH-OAHLLOKOSA-N -1 3 382.464 3.047 20 30 GGEDHM C=C[C@H](CC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)c1ccccc1 ZINC000277867730 1435337551 /nfs/dbraw/zinc/33/75/51/1435337551.db2.gz YLBRCHUIFVCSBH-OAHLLOKOSA-N -1 3 382.464 3.047 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CCc2ccc3c(c2)CCO3)no1 ZINC000277970597 1435346757 /nfs/dbraw/zinc/34/67/57/1435346757.db2.gz SQRCNLXSKJYDNM-UHFFFAOYSA-N -1 3 390.443 3.164 20 30 GGEDHM Cc1cnc(C2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)s1 ZINC000278328281 1435380526 /nfs/dbraw/zinc/38/05/26/1435380526.db2.gz ZIYTWQGFRMLLNK-UHFFFAOYSA-N -1 3 384.505 3.379 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2c(c1)OC(=O)C[C@@H]2C ZINC000278451937 1435392170 /nfs/dbraw/zinc/39/21/70/1435392170.db2.gz WJZJCYVGTYJDKL-NSHDSACASA-N -1 3 380.400 3.227 20 30 GGEDHM COc1ccc([C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)cc1 ZINC000279697720 1435531087 /nfs/dbraw/zinc/53/10/87/1435531087.db2.gz MLCLHVYDHHPILS-NRFANRHFSA-N -1 3 379.460 3.484 20 30 GGEDHM COc1ccc([C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)cc1 ZINC000279697723 1435531194 /nfs/dbraw/zinc/53/11/94/1435531194.db2.gz MLCLHVYDHHPILS-OAQYLSRUSA-N -1 3 379.460 3.484 20 30 GGEDHM Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1NC(=O)N(C)C ZINC000279919965 1435563167 /nfs/dbraw/zinc/56/31/67/1435563167.db2.gz KLJRWTUKVSHIMI-UHFFFAOYSA-N -1 3 395.463 3.249 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)COCc1ccccc1 ZINC000281300888 1435803002 /nfs/dbraw/zinc/80/30/02/1435803002.db2.gz OPVGALDCYITBRI-UHFFFAOYSA-N -1 3 381.476 3.320 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3CCC(F)(F)C3)no2)ccc1F ZINC000281543960 1435812906 /nfs/dbraw/zinc/81/29/06/1435812906.db2.gz XBBPPMPNQQZIFX-LLVKDONJSA-N -1 3 387.383 3.243 20 30 GGEDHM N#CCC[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281785895 1435822085 /nfs/dbraw/zinc/82/20/85/1435822085.db2.gz GVPSQDCLLYASJG-INIZCTEOSA-N -1 3 396.413 3.132 20 30 GGEDHM C=CCC[C@@H](NCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823894747 1442151223 /nfs/dbraw/zinc/15/12/23/1442151223.db2.gz WXHMTNJEXSHDTE-MRXNPFEDSA-N -1 3 380.452 3.312 20 30 GGEDHM C=CCC[C@@H](NCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823894747 1442151225 /nfs/dbraw/zinc/15/12/25/1442151225.db2.gz WXHMTNJEXSHDTE-MRXNPFEDSA-N -1 3 380.452 3.312 20 30 GGEDHM C=CCc1cc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc(OC)c1O ZINC000823937411 1443138541 /nfs/dbraw/zinc/13/85/41/1443138541.db2.gz WRMMGXLSCMMHCD-UHFFFAOYSA-N -1 3 391.475 3.474 20 30 GGEDHM C=CCc1cc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc(OC)c1O ZINC000823937411 1443138544 /nfs/dbraw/zinc/13/85/44/1443138544.db2.gz WRMMGXLSCMMHCD-UHFFFAOYSA-N -1 3 391.475 3.474 20 30 GGEDHM C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820760974 1443281318 /nfs/dbraw/zinc/28/13/18/1443281318.db2.gz VAEPUHGBIJUYRW-CYBMUJFWSA-N -1 3 394.483 3.072 20 30 GGEDHM C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000820760974 1443281323 /nfs/dbraw/zinc/28/13/23/1443281323.db2.gz VAEPUHGBIJUYRW-CYBMUJFWSA-N -1 3 394.483 3.072 20 30 GGEDHM C=CCN(Cc1ccc(OCOCC)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823909979 1443403907 /nfs/dbraw/zinc/40/39/07/1443403907.db2.gz UYOCBOHWHOMXRK-UHFFFAOYSA-N -1 3 379.464 3.428 20 30 GGEDHM C=CCN(Cc1ccc(OCOCC)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823909979 1443403910 /nfs/dbraw/zinc/40/39/10/1443403910.db2.gz UYOCBOHWHOMXRK-UHFFFAOYSA-N -1 3 379.464 3.428 20 30 GGEDHM Cc1cnc(NCc2ccc(-c3nn[n-]n3)cc2)nc1NCc1ccc(C#N)cc1 ZINC000822394751 1443802192 /nfs/dbraw/zinc/80/21/92/1443802192.db2.gz GAISMLFRMYXIOL-UHFFFAOYSA-N -1 3 397.446 3.061 20 30 GGEDHM C[C@H](NCCSCc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1F ZINC000824604387 1446882911 /nfs/dbraw/zinc/88/29/11/1446882911.db2.gz BXYSXAAOPGIIJZ-ZDUSSCGKSA-N -1 3 382.468 3.461 20 30 GGEDHM C=C1CCN(CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000735402446 1449706067 /nfs/dbraw/zinc/70/60/67/1449706067.db2.gz AYTYCEIBVWPXLS-UHFFFAOYSA-N -1 3 386.525 3.178 20 30 GGEDHM C=C1CCN(CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CC1 ZINC000735402446 1449706070 /nfs/dbraw/zinc/70/60/70/1449706070.db2.gz AYTYCEIBVWPXLS-UHFFFAOYSA-N -1 3 386.525 3.178 20 30 GGEDHM CC(C)CN(Cc1cnc2ccc(C#N)cn12)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824261674 1450396062 /nfs/dbraw/zinc/39/60/62/1450396062.db2.gz OLWYBLFIBSZONT-UHFFFAOYSA-N -1 3 386.463 3.044 20 30 GGEDHM CC(C)CN(Cc1cnc2ccc(C#N)cn12)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824261674 1450396065 /nfs/dbraw/zinc/39/60/65/1450396065.db2.gz OLWYBLFIBSZONT-UHFFFAOYSA-N -1 3 386.463 3.044 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC000908946169 939360402 /nfs/dbraw/zinc/36/04/02/939360402.db2.gz OFTXKFIXGQBXOF-FQEVSTJZSA-N -1 3 381.476 3.305 20 30 GGEDHM O=[N+]([O-])c1cccc(-c2nc(C=NNc3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000738366154 945263949 /nfs/dbraw/zinc/26/39/49/945263949.db2.gz DZQIXGYJSCETNB-UHFFFAOYSA-N -1 3 392.404 3.344 20 30 GGEDHM O=[N+]([O-])c1cccc(-c2nc(C=NNc3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000738366154 945263956 /nfs/dbraw/zinc/26/39/56/945263956.db2.gz DZQIXGYJSCETNB-UHFFFAOYSA-N -1 3 392.404 3.344 20 30 GGEDHM C#Cc1ccc(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000823861750 946494041 /nfs/dbraw/zinc/49/40/41/946494041.db2.gz QQRCZJCXFQFCAA-OAHLLOKOSA-N -1 3 394.438 3.401 20 30 GGEDHM C#Cc1ccc(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000823861750 946494047 /nfs/dbraw/zinc/49/40/47/946494047.db2.gz QQRCZJCXFQFCAA-OAHLLOKOSA-N -1 3 394.438 3.401 20 30 GGEDHM C=CCCO[C@@H](C)C(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000823899487 946509031 /nfs/dbraw/zinc/50/90/31/946509031.db2.gz WZOVXVKWMCEPCF-ZLPCBKJTSA-N -1 3 399.495 3.423 20 30 GGEDHM C=CCOCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823925940 946517252 /nfs/dbraw/zinc/51/72/52/946517252.db2.gz RSALUGZHDXAJJO-HNNXBMFYSA-N -1 3 392.463 3.097 20 30 GGEDHM C=CCOCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823925940 946517257 /nfs/dbraw/zinc/51/72/57/946517257.db2.gz RSALUGZHDXAJJO-HNNXBMFYSA-N -1 3 392.463 3.097 20 30 GGEDHM C#C[C@H](C)N(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC1(CC)CCC1 ZINC001573279154 946633297 /nfs/dbraw/zinc/63/32/97/946633297.db2.gz CKPBQCWEOGCURX-HNNXBMFYSA-N -1 3 390.495 3.163 20 30 GGEDHM C#C[C@H](C)N(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC1(CC)CCC1 ZINC001573279154 946633306 /nfs/dbraw/zinc/63/33/06/946633306.db2.gz CKPBQCWEOGCURX-HNNXBMFYSA-N -1 3 390.495 3.163 20 30 GGEDHM C#C[C@H](CC)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC001573279999 946652687 /nfs/dbraw/zinc/65/26/87/946652687.db2.gz MLEKSJCJDSLTNU-LJQANCHMSA-N -1 3 392.438 3.129 20 30 GGEDHM C#C[C@H](CC)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC001573279999 946652692 /nfs/dbraw/zinc/65/26/92/946652692.db2.gz MLEKSJCJDSLTNU-LJQANCHMSA-N -1 3 392.438 3.129 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)C[C@@H](C)CC ZINC001573282214 946685716 /nfs/dbraw/zinc/68/57/16/946685716.db2.gz GWMWMMSUVRHYSO-HNNXBMFYSA-N -1 3 378.484 3.021 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)C[C@@H](C)CC ZINC001573282214 946685723 /nfs/dbraw/zinc/68/57/23/946685723.db2.gz GWMWMMSUVRHYSO-HNNXBMFYSA-N -1 3 378.484 3.021 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(CC)CCCC ZINC001573282140 946685996 /nfs/dbraw/zinc/68/59/96/946685996.db2.gz GIJUIPWOWDSDNU-UHFFFAOYSA-N -1 3 378.484 3.165 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(CC)CCCC ZINC001573282140 946686003 /nfs/dbraw/zinc/68/60/03/946686003.db2.gz GIJUIPWOWDSDNU-UHFFFAOYSA-N -1 3 378.484 3.165 20 30 GGEDHM C#CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC[C@@H](C)C1 ZINC001573282455 946692894 /nfs/dbraw/zinc/69/28/94/946692894.db2.gz KOXZRGSVSIDTCN-MRXNPFEDSA-N -1 3 390.495 3.165 20 30 GGEDHM C#CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC[C@@H](C)C1 ZINC001573282455 946692902 /nfs/dbraw/zinc/69/29/02/946692902.db2.gz KOXZRGSVSIDTCN-MRXNPFEDSA-N -1 3 390.495 3.165 20 30 GGEDHM C#CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)C1CCCC1 ZINC001573282495 946692920 /nfs/dbraw/zinc/69/29/20/946692920.db2.gz LACMSAQZNUZPOL-UHFFFAOYSA-N -1 3 390.495 3.308 20 30 GGEDHM C#CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)C1CCCC1 ZINC001573282495 946692926 /nfs/dbraw/zinc/69/29/26/946692926.db2.gz LACMSAQZNUZPOL-UHFFFAOYSA-N -1 3 390.495 3.308 20 30 GGEDHM C#CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC(C)CC1 ZINC001573282973 946704846 /nfs/dbraw/zinc/70/48/46/946704846.db2.gz PKHAKUJAZFXBCN-UHFFFAOYSA-N -1 3 390.495 3.165 20 30 GGEDHM C#CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC(C)CC1 ZINC001573282973 946704850 /nfs/dbraw/zinc/70/48/50/946704850.db2.gz PKHAKUJAZFXBCN-UHFFFAOYSA-N -1 3 390.495 3.165 20 30 GGEDHM C#CCCOc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC001573282982 946705311 /nfs/dbraw/zinc/70/53/11/946705311.db2.gz PNIJFIMQZMMMBO-UHFFFAOYSA-N -1 3 399.454 3.198 20 30 GGEDHM C#CCCOc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC001573282982 946705321 /nfs/dbraw/zinc/70/53/21/946705321.db2.gz PNIJFIMQZMMMBO-UHFFFAOYSA-N -1 3 399.454 3.198 20 30 GGEDHM C#CCN(CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1)C(C)(C)C ZINC001573283476 946718217 /nfs/dbraw/zinc/71/82/17/946718217.db2.gz SJMMYIFSGCENRW-UHFFFAOYSA-N -1 3 397.527 3.072 20 30 GGEDHM C#CCN(CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1)C(C)(C)C ZINC001573283476 946718221 /nfs/dbraw/zinc/71/82/21/946718221.db2.gz SJMMYIFSGCENRW-UHFFFAOYSA-N -1 3 397.527 3.072 20 30 GGEDHM CC(=O)c1cccc(C#N)c1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC001573555124 946904323 /nfs/dbraw/zinc/90/43/23/946904323.db2.gz BRPSXDCDTBBEGI-UHFFFAOYSA-N -1 3 385.330 3.121 20 30 GGEDHM CC(=O)c1cccc(C#N)c1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC001573555124 946904331 /nfs/dbraw/zinc/90/43/31/946904331.db2.gz BRPSXDCDTBBEGI-UHFFFAOYSA-N -1 3 385.330 3.121 20 30 GGEDHM C#Cc1ccc(NC(=O)c2cc(-c3cccc(-c4nnn[n-]4)c3)no2)c(Cl)c1 ZINC001573290481 946905572 /nfs/dbraw/zinc/90/55/72/946905572.db2.gz KNMYLXWJJMYEAF-UHFFFAOYSA-N -1 3 390.790 3.409 20 30 GGEDHM C#Cc1ccc(NC(=O)c2cc(-c3cccc(-c4nn[n-]n4)c3)no2)c(Cl)c1 ZINC001573290481 946905574 /nfs/dbraw/zinc/90/55/74/946905574.db2.gz KNMYLXWJJMYEAF-UHFFFAOYSA-N -1 3 390.790 3.409 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001573293653 946962281 /nfs/dbraw/zinc/96/22/81/946962281.db2.gz FKGRJSMVVFOCNM-YJBOKZPZSA-N -1 3 390.495 3.470 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001573293653 946962289 /nfs/dbraw/zinc/96/22/89/946962289.db2.gz FKGRJSMVVFOCNM-YJBOKZPZSA-N -1 3 390.495 3.470 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001573293942 946973400 /nfs/dbraw/zinc/97/34/00/946973400.db2.gz OUWJBPQOCAVSNT-CABCVRRESA-N -1 3 378.484 3.326 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001573293942 946973408 /nfs/dbraw/zinc/97/34/08/946973408.db2.gz OUWJBPQOCAVSNT-CABCVRRESA-N -1 3 378.484 3.326 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)[C@@H](C)CCSC ZINC001573294067 946978209 /nfs/dbraw/zinc/97/82/09/946978209.db2.gz SQUAPIBRGMNKOE-AWEZNQCLSA-N -1 3 398.540 3.279 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)[C@@H](C)CCSC ZINC001573294067 946978213 /nfs/dbraw/zinc/97/82/13/946978213.db2.gz SQUAPIBRGMNKOE-AWEZNQCLSA-N -1 3 398.540 3.279 20 30 GGEDHM C=C(CC)CNC(=O)Nc1cnc(Oc2ccccc2-c2nnn[n-]2)cc1C ZINC001573294543 946992204 /nfs/dbraw/zinc/99/22/04/946992204.db2.gz HHBKPCAZOKKPJL-UHFFFAOYSA-N -1 3 379.424 3.450 20 30 GGEDHM C=C(CC)CNC(=O)Nc1cnc(Oc2ccccc2-c2nn[n-]n2)cc1C ZINC001573294543 946992210 /nfs/dbraw/zinc/99/22/10/946992210.db2.gz HHBKPCAZOKKPJL-UHFFFAOYSA-N -1 3 379.424 3.450 20 30 GGEDHM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CN(Cc3ccccc3)CC[C@H]2C)o1 ZINC000824962259 947008527 /nfs/dbraw/zinc/00/85/27/947008527.db2.gz RAHBZEIEBVBZJC-CQSZACIVSA-N -1 3 394.483 3.288 20 30 GGEDHM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CN(Cc3ccccc3)CC[C@H]2C)o1 ZINC000824962259 947008536 /nfs/dbraw/zinc/00/85/36/947008536.db2.gz RAHBZEIEBVBZJC-CQSZACIVSA-N -1 3 394.483 3.288 20 30 GGEDHM C=C(CNC(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1)c1ccccc1 ZINC001573296060 947038741 /nfs/dbraw/zinc/03/87/41/947038741.db2.gz XVXRIMXABIBMDW-UHFFFAOYSA-N -1 3 377.452 3.076 20 30 GGEDHM C=C(CNC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1)c1ccccc1 ZINC001573296060 947038751 /nfs/dbraw/zinc/03/87/51/947038751.db2.gz XVXRIMXABIBMDW-UHFFFAOYSA-N -1 3 377.452 3.076 20 30 GGEDHM C=C1CCC(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)CC1 ZINC001573296262 947044218 /nfs/dbraw/zinc/04/42/18/947044218.db2.gz MGAGXCCTFNRWGC-UHFFFAOYSA-N -1 3 383.843 3.391 20 30 GGEDHM C=CC(C)(C)CC(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC001573305131 947150653 /nfs/dbraw/zinc/15/06/53/947150653.db2.gz ANJAAARJLFZCAJ-UHFFFAOYSA-N -1 3 381.230 3.146 20 30 GGEDHM C=CC(C)(C)CC(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC001573305131 947150664 /nfs/dbraw/zinc/15/06/64/947150664.db2.gz ANJAAARJLFZCAJ-UHFFFAOYSA-N -1 3 381.230 3.146 20 30 GGEDHM C=CC1CCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2CC(=C)C)CC1 ZINC001573314332 947229218 /nfs/dbraw/zinc/22/92/18/947229218.db2.gz AWXSRDHRMJIUFB-UHFFFAOYSA-N -1 3 376.468 3.104 20 30 GGEDHM C=CC1CCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2CC(=C)C)CC1 ZINC001573314332 947229228 /nfs/dbraw/zinc/22/92/28/947229228.db2.gz AWXSRDHRMJIUFB-UHFFFAOYSA-N -1 3 376.468 3.104 20 30 GGEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001573326396 947370665 /nfs/dbraw/zinc/37/06/65/947370665.db2.gz OPPZGYJBFIZRBX-SFHVURJKSA-N -1 3 376.464 3.162 20 30 GGEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001573326396 947370682 /nfs/dbraw/zinc/37/06/82/947370682.db2.gz OPPZGYJBFIZRBX-SFHVURJKSA-N -1 3 376.464 3.162 20 30 GGEDHM C=CCC1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCCC1 ZINC001573329411 947421107 /nfs/dbraw/zinc/42/11/07/947421107.db2.gz JIHWYHXFSQWPNC-UHFFFAOYSA-N -1 3 381.889 3.077 20 30 GGEDHM C=CCC1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCCC1 ZINC001573329411 947421116 /nfs/dbraw/zinc/42/11/16/947421116.db2.gz JIHWYHXFSQWPNC-UHFFFAOYSA-N -1 3 381.889 3.077 20 30 GGEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001573329560 947422614 /nfs/dbraw/zinc/42/26/14/947422614.db2.gz KYLGZNSYZFTHLI-RISCZKNCSA-N -1 3 390.285 3.494 20 30 GGEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001573329560 947422618 /nfs/dbraw/zinc/42/26/18/947422618.db2.gz KYLGZNSYZFTHLI-RISCZKNCSA-N -1 3 390.285 3.494 20 30 GGEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001573329730 947425154 /nfs/dbraw/zinc/42/51/54/947425154.db2.gz NWGOLLAKLQAYKA-MAUKXSAKSA-N -1 3 391.479 3.226 20 30 GGEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001573329730 947425162 /nfs/dbraw/zinc/42/51/62/947425162.db2.gz NWGOLLAKLQAYKA-MAUKXSAKSA-N -1 3 391.479 3.226 20 30 GGEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001573329731 947425275 /nfs/dbraw/zinc/42/52/75/947425275.db2.gz NWGOLLAKLQAYKA-QAPCUYQASA-N -1 3 391.479 3.226 20 30 GGEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001573329731 947425282 /nfs/dbraw/zinc/42/52/82/947425282.db2.gz NWGOLLAKLQAYKA-QAPCUYQASA-N -1 3 391.479 3.226 20 30 GGEDHM C=CC[C@@H]1CCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001573329829 947425598 /nfs/dbraw/zinc/42/55/98/947425598.db2.gz PRRWSKMYEUQQEX-OAHLLOKOSA-N -1 3 377.408 3.236 20 30 GGEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001573329732 947425629 /nfs/dbraw/zinc/42/56/29/947425629.db2.gz NWGOLLAKLQAYKA-YJBOKZPZSA-N -1 3 391.479 3.226 20 30 GGEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001573329732 947425634 /nfs/dbraw/zinc/42/56/34/947425634.db2.gz NWGOLLAKLQAYKA-YJBOKZPZSA-N -1 3 391.479 3.226 20 30 GGEDHM C=CCC1(CNC(=O)c2cccc(-c3nnn[n-]3)c2Br)CCCC1 ZINC001573329941 947428011 /nfs/dbraw/zinc/42/80/11/947428011.db2.gz RCWWVUZAAHRWPZ-UHFFFAOYSA-N -1 3 390.285 3.496 20 30 GGEDHM C=CCC1(CNC(=O)c2cccc(-c3nn[n-]n3)c2Br)CCCC1 ZINC001573329941 947428019 /nfs/dbraw/zinc/42/80/19/947428019.db2.gz RCWWVUZAAHRWPZ-UHFFFAOYSA-N -1 3 390.285 3.496 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)OCc1cccc(C)c1 ZINC001573341106 947525867 /nfs/dbraw/zinc/52/58/67/947525867.db2.gz HDBDOAVLTSKVJE-KRWDZBQOSA-N -1 3 391.475 3.295 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)OCc1cccc(C)c1 ZINC001573341106 947525884 /nfs/dbraw/zinc/52/58/84/947525884.db2.gz HDBDOAVLTSKVJE-KRWDZBQOSA-N -1 3 391.475 3.295 20 30 GGEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001573341135 947527516 /nfs/dbraw/zinc/52/75/16/947527516.db2.gz ILINBKMUOFIMOG-UHFFFAOYSA-N -1 3 389.868 3.419 20 30 GGEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001573341135 947527525 /nfs/dbraw/zinc/52/75/25/947527525.db2.gz ILINBKMUOFIMOG-UHFFFAOYSA-N -1 3 389.868 3.419 20 30 GGEDHM C=CCN(C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1)C1CC1 ZINC001573341459 947531568 /nfs/dbraw/zinc/53/15/68/947531568.db2.gz NBGAGJXGLOFJRK-UHFFFAOYSA-N -1 3 377.408 3.236 20 30 GGEDHM C=CCN(C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1)C1CC1 ZINC001573341459 947531579 /nfs/dbraw/zinc/53/15/79/947531579.db2.gz NBGAGJXGLOFJRK-UHFFFAOYSA-N -1 3 377.408 3.236 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001573341577 947534590 /nfs/dbraw/zinc/53/45/90/947534590.db2.gz NZTSGPMTGSIADV-UHFFFAOYSA-N -1 3 385.431 3.085 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001573341577 947534601 /nfs/dbraw/zinc/53/46/01/947534601.db2.gz NZTSGPMTGSIADV-UHFFFAOYSA-N -1 3 385.431 3.085 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)CSC(F)(F)F ZINC001573341755 947537407 /nfs/dbraw/zinc/53/74/07/947537407.db2.gz PXJANDIHGYWQFH-NSHDSACASA-N -1 3 385.415 3.270 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)CSC(F)(F)F ZINC001573341755 947537411 /nfs/dbraw/zinc/53/74/11/947537411.db2.gz PXJANDIHGYWQFH-NSHDSACASA-N -1 3 385.415 3.270 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(F)(F)c1ccccc1C#N ZINC001573342303 947538361 /nfs/dbraw/zinc/53/83/61/947538361.db2.gz WHAGGJFYBSCVNH-UHFFFAOYSA-N -1 3 394.385 3.045 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(F)(F)c1ccccc1C#N ZINC001573342303 947538369 /nfs/dbraw/zinc/53/83/69/947538369.db2.gz WHAGGJFYBSCVNH-UHFFFAOYSA-N -1 3 394.385 3.045 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1=Cc2cc(C)ccc2OC1 ZINC001573342131 947540074 /nfs/dbraw/zinc/54/00/74/947540074.db2.gz UJEUUGBMIDQUAR-UHFFFAOYSA-N -1 3 387.443 3.166 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1=Cc2cc(C)ccc2OC1 ZINC001573342131 947540082 /nfs/dbraw/zinc/54/00/82/947540082.db2.gz UJEUUGBMIDQUAR-UHFFFAOYSA-N -1 3 387.443 3.166 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC001573342423 947541989 /nfs/dbraw/zinc/54/19/89/947541989.db2.gz XWJVCUCBHPWTQA-LJQANCHMSA-N -1 3 392.438 3.391 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC001573342423 947541998 /nfs/dbraw/zinc/54/19/98/947541998.db2.gz XWJVCUCBHPWTQA-LJQANCHMSA-N -1 3 392.438 3.391 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)[C@@H](C)CCSCC ZINC001573347398 947573978 /nfs/dbraw/zinc/57/39/78/947573978.db2.gz DFOZHVNADMQWNZ-AWEZNQCLSA-N -1 3 398.540 3.279 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)[C@@H](C)CCSCC ZINC001573347398 947573989 /nfs/dbraw/zinc/57/39/89/947573989.db2.gz DFOZHVNADMQWNZ-AWEZNQCLSA-N -1 3 398.540 3.279 20 30 GGEDHM C=CCOc1cc(OC)ccc1C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001573347413 947574357 /nfs/dbraw/zinc/57/43/57/947574357.db2.gz DJOWKIWSXASNPB-CQSZACIVSA-N -1 3 393.447 3.273 20 30 GGEDHM C=CCOc1cc(OC)ccc1C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001573347413 947574367 /nfs/dbraw/zinc/57/43/67/947574367.db2.gz DJOWKIWSXASNPB-CQSZACIVSA-N -1 3 393.447 3.273 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)[C@H](C)CCSCC ZINC001573347399 947575007 /nfs/dbraw/zinc/57/50/07/947575007.db2.gz DFOZHVNADMQWNZ-CQSZACIVSA-N -1 3 398.540 3.279 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)[C@H](C)CCSCC ZINC001573347399 947575015 /nfs/dbraw/zinc/57/50/15/947575015.db2.gz DFOZHVNADMQWNZ-CQSZACIVSA-N -1 3 398.540 3.279 20 30 GGEDHM C=CCOCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001573347605 947575311 /nfs/dbraw/zinc/57/53/11/947575311.db2.gz FBMNXJYMOWXPJO-UHFFFAOYSA-N -1 3 393.447 3.290 20 30 GGEDHM C=CCOCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001573347605 947575318 /nfs/dbraw/zinc/57/53/18/947575318.db2.gz FBMNXJYMOWXPJO-UHFFFAOYSA-N -1 3 393.447 3.290 20 30 GGEDHM C=CC[S@@](=O)(=NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC001573347716 947577192 /nfs/dbraw/zinc/57/71/92/947577192.db2.gz GXNDGJFNPOELPZ-NDEPHWFRSA-N -1 3 393.472 3.138 20 30 GGEDHM C=CC[S@@](=O)(=NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC001573347716 947577197 /nfs/dbraw/zinc/57/71/97/947577197.db2.gz GXNDGJFNPOELPZ-NDEPHWFRSA-N -1 3 393.472 3.138 20 30 GGEDHM C=CCc1cccc(F)c1OS(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001573347933 947579434 /nfs/dbraw/zinc/57/94/34/947579434.db2.gz JQNUZBYLRLOWLI-UHFFFAOYSA-N -1 3 394.815 3.155 20 30 GGEDHM C=CCc1cccc(F)c1OS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001573347933 947579436 /nfs/dbraw/zinc/57/94/36/947579436.db2.gz JQNUZBYLRLOWLI-UHFFFAOYSA-N -1 3 394.815 3.155 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001573348028 947579758 /nfs/dbraw/zinc/57/97/58/947579758.db2.gz LMFYFDLZCFJPPX-QGZVFWFLSA-N -1 3 378.484 3.184 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001573348028 947579766 /nfs/dbraw/zinc/57/97/66/947579766.db2.gz LMFYFDLZCFJPPX-QGZVFWFLSA-N -1 3 378.484 3.184 20 30 GGEDHM C=CCn1c(Sc2cc(C)c(-c3nnn[n-]3)cn2)nnc1-c1cccc(C)c1 ZINC001573348288 947581198 /nfs/dbraw/zinc/58/11/98/947581198.db2.gz OMGXTZFMFNRPAO-UHFFFAOYSA-N -1 3 390.476 3.474 20 30 GGEDHM C=CCn1c(Sc2cc(C)c(-c3nn[n-]n3)cn2)nnc1-c1cccc(C)c1 ZINC001573348288 947581204 /nfs/dbraw/zinc/58/12/04/947581204.db2.gz OMGXTZFMFNRPAO-UHFFFAOYSA-N -1 3 390.476 3.474 20 30 GGEDHM Cc1c(Cl)cnc(N2CC=C(c3ccc(C#N)cc3)CC2)c1-c1nnn[n-]1 ZINC000826236945 947694574 /nfs/dbraw/zinc/69/45/74/947694574.db2.gz IMDNKYZEVGNSLQ-UHFFFAOYSA-N -1 3 377.839 3.389 20 30 GGEDHM Cc1c(Cl)cnc(N2CC=C(c3ccc(C#N)cc3)CC2)c1-c1nn[n-]n1 ZINC000826236945 947694585 /nfs/dbraw/zinc/69/45/85/947694585.db2.gz IMDNKYZEVGNSLQ-UHFFFAOYSA-N -1 3 377.839 3.389 20 30 GGEDHM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C ZINC000826249809 947726391 /nfs/dbraw/zinc/72/63/91/947726391.db2.gz VYOMJPWMBRQEGH-UHFFFAOYSA-N -1 3 398.430 3.102 20 30 GGEDHM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C ZINC000826249809 947726401 /nfs/dbraw/zinc/72/64/01/947726401.db2.gz VYOMJPWMBRQEGH-UHFFFAOYSA-N -1 3 398.430 3.102 20 30 GGEDHM Cc1cc(C#N)ccc1COC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000826257119 947741699 /nfs/dbraw/zinc/74/16/99/947741699.db2.gz OMEAAPKSGMRKBN-LJQANCHMSA-N -1 3 391.431 3.194 20 30 GGEDHM Cc1cc(C#N)ccc1COC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000826257119 947741704 /nfs/dbraw/zinc/74/17/04/947741704.db2.gz OMEAAPKSGMRKBN-LJQANCHMSA-N -1 3 391.431 3.194 20 30 GGEDHM Cc1cc(C#N)ccc1COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826256900 947741945 /nfs/dbraw/zinc/74/19/45/947741945.db2.gz FRXOMUYSSKEGEV-UHFFFAOYSA-N -1 3 379.445 3.023 20 30 GGEDHM Cc1cc(C#N)ccc1COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826256900 947741956 /nfs/dbraw/zinc/74/19/56/947741956.db2.gz FRXOMUYSSKEGEV-UHFFFAOYSA-N -1 3 379.445 3.023 20 30 GGEDHM Cc1nc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(-c2ccccc2)s1 ZINC000826323441 947944901 /nfs/dbraw/zinc/94/49/01/947944901.db2.gz DQJQMCRMHQMGCY-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM Cc1nc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(-c2ccccc2)s1 ZINC000826323441 947944909 /nfs/dbraw/zinc/94/49/09/947944909.db2.gz DQJQMCRMHQMGCY-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403199 948226816 /nfs/dbraw/zinc/22/68/16/948226816.db2.gz MGJSFMRZESNRJB-FNORWQNLSA-N -1 3 378.392 3.420 20 30 GGEDHM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403199 948226820 /nfs/dbraw/zinc/22/68/20/948226820.db2.gz MGJSFMRZESNRJB-FNORWQNLSA-N -1 3 378.392 3.420 20 30 GGEDHM CC[C@@]1(C(=O)[O-])CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC001589605990 949268059 /nfs/dbraw/zinc/26/80/59/949268059.db2.gz YJAKKKHOEHXVQZ-FOIQADDNSA-N -1 3 375.444 3.038 20 30 GGEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001575190908 952465139 /nfs/dbraw/zinc/46/51/39/952465139.db2.gz UWUNYBWGKCAPFZ-ZDUSSCGKSA-N -1 3 383.415 3.104 20 30 GGEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001575190908 952465144 /nfs/dbraw/zinc/46/51/44/952465144.db2.gz UWUNYBWGKCAPFZ-ZDUSSCGKSA-N -1 3 383.415 3.104 20 30 GGEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001592225766 977412700 /nfs/dbraw/zinc/41/27/00/977412700.db2.gz NNTFVWCNIPOETR-AWEZNQCLSA-N -1 3 390.509 3.094 20 30 GGEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1C#N ZINC000756346370 978698691 /nfs/dbraw/zinc/69/86/91/978698691.db2.gz DDKBEONYCDYPLV-MRXNPFEDSA-N -1 3 375.222 3.245 20 30 GGEDHM C#CC[C@@H]1CCCN(Cn2ncc3c2ccc(Br)c3C(=O)[O-])C1 ZINC001588434623 983471318 /nfs/dbraw/zinc/47/13/18/983471318.db2.gz OVVMBWPSJMNAPD-GFCCVEGCSA-N -1 3 376.254 3.190 20 30 GGEDHM C#CCN1CCC(C(=O)N[C@H](CC(=O)[O-])c2ccc(-c3ccccc3)cc2)CC1 ZINC001588471727 983507545 /nfs/dbraw/zinc/50/75/45/983507545.db2.gz YREMGJQHEDAJIZ-JOCHJYFZSA-N -1 3 390.483 3.331 20 30 GGEDHM CCN(C(=O)OC(C)(C)C)C1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001596155599 983513390 /nfs/dbraw/zinc/51/33/90/983513390.db2.gz GMLNGJCBEIFNSY-SFHVURJKSA-N -1 3 387.480 3.405 20 30 GGEDHM C=CCC[C@H](NCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccccc1 ZINC001588779401 984165915 /nfs/dbraw/zinc/16/59/15/984165915.db2.gz XLRLVGZPSXVOFE-IBGZPJMESA-N -1 3 396.443 3.407 20 30 GGEDHM CCOC(=O)c1csc(C2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1 ZINC001596746523 985065864 /nfs/dbraw/zinc/06/58/64/985065864.db2.gz GQWRJFXCRHOFIV-QGZVFWFLSA-N -1 3 399.472 3.197 20 30 GGEDHM CCOC(=O)c1csc(C2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1 ZINC001596746521 985065926 /nfs/dbraw/zinc/06/59/26/985065926.db2.gz GQWRJFXCRHOFIV-KRWDZBQOSA-N -1 3 399.472 3.197 20 30 GGEDHM CCO[C@H]1C[C@](NCc2ccc(Br)cc2C#N)(C(=O)[O-])C1(C)C ZINC001596838942 985513399 /nfs/dbraw/zinc/51/33/99/985513399.db2.gz QMSSEEKGXPANRM-YOEHRIQHSA-N -1 3 381.270 3.069 20 30 GGEDHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC001589627995 987526909 /nfs/dbraw/zinc/52/69/09/987526909.db2.gz ZGTCSIUVEJDWGR-UHFFFAOYSA-N -1 3 397.500 3.161 20 30 GGEDHM C[C@H](Oc1ccccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001593644807 995966628 /nfs/dbraw/zinc/96/66/28/995966628.db2.gz DENHURVKZCZYLC-SFHVURJKSA-N -1 3 393.487 3.118 20 30 GGEDHM COc1cc(CN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)ccc1C#N ZINC001599416350 997518280 /nfs/dbraw/zinc/51/82/80/997518280.db2.gz UIOGEXFLGXFDST-GOSISDBHSA-N -1 3 389.249 3.419 20 30 GGEDHM COC(=O)c1cccc(CN[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c1C#N ZINC001598995625 998776991 /nfs/dbraw/zinc/77/69/91/998776991.db2.gz KDRKXXDOFDMYLJ-HXUWFJFHSA-N -1 3 386.835 3.174 20 30 GGEDHM C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001594292778 999129449 /nfs/dbraw/zinc/12/94/49/999129449.db2.gz UGERWSHTWPAIOQ-LZKLMHIUSA-N -1 3 397.519 3.034 20 30 GGEDHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(C(F)(F)F)ccc1F ZINC000277259898 1126078588 /nfs/dbraw/zinc/07/85/88/1126078588.db2.gz KPOAQXPHWCGSRN-NSHDSACASA-N -1 3 399.266 3.303 20 30 GGEDHM N#Cc1c(F)cccc1CN[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001608194000 1126235893 /nfs/dbraw/zinc/23/58/93/1126235893.db2.gz HMYHWYQHZSJQMI-INIZCTEOSA-N -1 3 382.313 3.381 20 30 GGEDHM N#Cc1c(F)cccc1CN[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001608194005 1126235906 /nfs/dbraw/zinc/23/59/06/1126235906.db2.gz HMYHWYQHZSJQMI-MRXNPFEDSA-N -1 3 382.313 3.381 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000016490053 210191258 /nfs/dbraw/zinc/19/12/58/210191258.db2.gz VZOSDTBGLXGBPH-UHFFFAOYSA-N -1 3 379.247 3.324 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000014234511 210112477 /nfs/dbraw/zinc/11/24/77/210112477.db2.gz YRRZAUMKMRTJIK-KRWDZBQOSA-N -1 3 385.464 3.288 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000012906885 210026463 /nfs/dbraw/zinc/02/64/63/210026463.db2.gz SZFYDVRIHGHWII-UHFFFAOYSA-N -1 3 392.484 3.482 20 30 GGEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)cc1Cl ZINC000096013461 211293811 /nfs/dbraw/zinc/29/38/11/211293811.db2.gz GFDCFXPEGJDFTF-HWPZZCPQSA-N -1 3 387.864 3.188 20 30 GGEDHM COC(=O)c1cccc(CS(=O)(=O)[N-]C2(C#N)CCC(C(C)(C)C)CC2)c1 ZINC000170597449 534266596 /nfs/dbraw/zinc/26/65/96/534266596.db2.gz HYQXNDKZNPGKGN-UHFFFAOYSA-N -1 3 392.521 3.391 20 30 GGEDHM CCNC(=O)COc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1OC ZINC000096920044 521738483 /nfs/dbraw/zinc/73/84/83/521738483.db2.gz OZCVCZKTXWCIFD-ZMTLZGASSA-N -1 3 399.418 3.438 20 30 GGEDHM CCNC(=O)COc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1OC ZINC000007333227 521738506 /nfs/dbraw/zinc/73/85/06/521738506.db2.gz OZCVCZKTXWCIFD-OJLMPMFISA-N -1 3 399.418 3.438 20 30 GGEDHM C[C@H]1CCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000004880324 564208534 /nfs/dbraw/zinc/20/85/34/564208534.db2.gz TWCHSPGJMUDMBZ-UWVGGRQHSA-N -1 3 395.344 3.324 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nccs1 ZINC000116377327 564209583 /nfs/dbraw/zinc/20/95/83/564209583.db2.gz SZSAHRYUBMPWLH-UHFFFAOYSA-N -1 3 375.397 3.247 20 30 GGEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000119249643 564261623 /nfs/dbraw/zinc/26/16/23/564261623.db2.gz ZQQVADZNTHBJBN-UHFFFAOYSA-N -1 3 398.893 3.403 20 30 GGEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2cccs2)c(C(F)(F)F)c1 ZINC000120033208 564300951 /nfs/dbraw/zinc/30/09/51/564300951.db2.gz ZHMILESXXPKSNA-UHFFFAOYSA-N -1 3 375.397 3.029 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Br)cc1F ZINC000019679057 564303498 /nfs/dbraw/zinc/30/34/98/564303498.db2.gz KAYRHNRUEDUXNG-UHFFFAOYSA-N -1 3 392.228 3.336 20 30 GGEDHM C[C@@H]1CN(Cc2csc([N-]C(=O)c3ccc([N+](=O)[O-])s3)n2)C[C@@H](C)O1 ZINC000022300547 564316663 /nfs/dbraw/zinc/31/66/63/564316663.db2.gz ZPESKBMYACXZIG-NXEZZACHSA-N -1 3 382.467 3.358 20 30 GGEDHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)cc1Cl ZINC000121755057 564385935 /nfs/dbraw/zinc/38/59/35/564385935.db2.gz XLHXWZFCHZIRCX-LBPRGKRZSA-N -1 3 395.706 3.328 20 30 GGEDHM C=CCC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000123075239 564437799 /nfs/dbraw/zinc/43/77/99/564437799.db2.gz WPKYAKZMHKNHPF-HOCLYGCPSA-N -1 3 378.519 3.239 20 30 GGEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)sc1C ZINC000123926956 564466464 /nfs/dbraw/zinc/46/64/64/564466464.db2.gz FQEYPLXSUXIZKA-UHFFFAOYSA-N -1 3 375.397 3.129 20 30 GGEDHM C=C(C)CN(CC)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000124046001 564470387 /nfs/dbraw/zinc/47/03/87/564470387.db2.gz WNMAONCDMXSSKZ-UHFFFAOYSA-N -1 3 384.548 3.326 20 30 GGEDHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000124285358 564477866 /nfs/dbraw/zinc/47/78/66/564477866.db2.gz MKOTYAJISWQLFL-UHFFFAOYSA-N -1 3 378.416 3.044 20 30 GGEDHM N#Cc1cnn(-c2ccc(C(=O)Nc3cc(Br)ccc3[O-])cc2)c1N ZINC000126624255 564555881 /nfs/dbraw/zinc/55/58/81/564555881.db2.gz COISUNOOJYWDKV-UHFFFAOYSA-N -1 3 398.220 3.047 20 30 GGEDHM COc1cc(C#N)ccc1OCC(=O)Nc1cc(Br)ccc1[O-] ZINC000126692329 564558154 /nfs/dbraw/zinc/55/81/54/564558154.db2.gz IICKDZFRHCWNDQ-UHFFFAOYSA-N -1 3 377.194 3.052 20 30 GGEDHM CC(=O)N[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)cc1 ZINC000051265884 564563185 /nfs/dbraw/zinc/56/31/85/564563185.db2.gz HSLYSORMWLHYBW-JTQLQIEISA-N -1 3 375.738 3.332 20 30 GGEDHM CC(=O)N[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000051265884 564563186 /nfs/dbraw/zinc/56/31/86/564563186.db2.gz HSLYSORMWLHYBW-JTQLQIEISA-N -1 3 375.738 3.332 20 30 GGEDHM N#Cc1ccc(C(F)(F)F)c(NCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000127879505 564600156 /nfs/dbraw/zinc/60/01/56/564600156.db2.gz JNPAVUVNOFSOEQ-UHFFFAOYSA-N -1 3 375.397 3.029 20 30 GGEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1 ZINC000056078322 564640673 /nfs/dbraw/zinc/64/06/73/564640673.db2.gz HIIVFVGXWPTUHW-UHFFFAOYSA-N -1 3 395.278 3.198 20 30 GGEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000130446010 564681318 /nfs/dbraw/zinc/68/13/18/564681318.db2.gz BHARJGHVLLUPTD-IINYFYTJSA-N -1 3 375.263 3.339 20 30 GGEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000130486041 564683103 /nfs/dbraw/zinc/68/31/03/564683103.db2.gz KUDHMMSYVLOBNX-ABAIWWIYSA-N -1 3 387.299 3.208 20 30 GGEDHM CN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000060617587 564701153 /nfs/dbraw/zinc/70/11/53/564701153.db2.gz XLZVHIHLCSDCNE-UHFFFAOYSA-N -1 3 377.853 3.126 20 30 GGEDHM N#CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCCC1 ZINC000132229936 564737162 /nfs/dbraw/zinc/73/71/62/564737162.db2.gz HPBMOWFIFPECSN-UHFFFAOYSA-N -1 3 377.344 3.118 20 30 GGEDHM N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Br)cc3[O-])cc2)c1N ZINC000066240437 564757856 /nfs/dbraw/zinc/75/78/56/564757856.db2.gz SKKYOENNNSRXLZ-UHFFFAOYSA-N -1 3 398.220 3.047 20 30 GGEDHM C=CCC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000133743174 564783639 /nfs/dbraw/zinc/78/36/39/564783639.db2.gz PQGVAJLKXAZFNL-MRXNPFEDSA-N -1 3 378.519 3.240 20 30 GGEDHM CCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000068231196 564813029 /nfs/dbraw/zinc/81/30/29/564813029.db2.gz RARXNCHEIOEVDZ-UHFFFAOYSA-N -1 3 377.853 3.126 20 30 GGEDHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(Cl)c1 ZINC000135966392 564842801 /nfs/dbraw/zinc/84/28/01/564842801.db2.gz DKIIQAIDTDNHKM-UHFFFAOYSA-N -1 3 384.244 3.025 20 30 GGEDHM Cc1cccc(S(=O)(=O)[N-]c2ccccc2I)c1C#N ZINC000137189077 564859643 /nfs/dbraw/zinc/85/96/43/564859643.db2.gz PDWRMGUTLMFAAS-UHFFFAOYSA-N -1 3 398.225 3.272 20 30 GGEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)cc1 ZINC000103155360 564943646 /nfs/dbraw/zinc/94/36/46/564943646.db2.gz QQDSAJRIWVENND-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)ccc2F)c(C(F)(F)F)c1 ZINC000104752794 564959243 /nfs/dbraw/zinc/95/92/43/564959243.db2.gz GFOREJZSMXSIBE-UHFFFAOYSA-N -1 3 376.306 3.334 20 30 GGEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000108240676 565008850 /nfs/dbraw/zinc/00/88/50/565008850.db2.gz RQIPLVRWHDITCM-LBPRGKRZSA-N -1 3 378.475 3.328 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cccc(Br)c2)no1 ZINC000109474540 565026392 /nfs/dbraw/zinc/02/63/92/565026392.db2.gz RVICXULPXIIGNF-UHFFFAOYSA-N -1 3 399.248 3.461 20 30 GGEDHM C=CC1CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)CC1 ZINC000110967906 565048363 /nfs/dbraw/zinc/04/83/63/565048363.db2.gz KAYHSXIJDSOTBF-UHFFFAOYSA-N -1 3 396.559 3.326 20 30 GGEDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)s1 ZINC000155295931 565065794 /nfs/dbraw/zinc/06/57/94/565065794.db2.gz GVZAKUFSXPJMMP-VIFPVBQESA-N -1 3 386.296 3.125 20 30 GGEDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000183573156 565079572 /nfs/dbraw/zinc/07/95/72/565079572.db2.gz JOYWVYFIFVVWSJ-OAHLLOKOSA-N -1 3 381.885 3.166 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccccc2)C1 ZINC000156716716 565102453 /nfs/dbraw/zinc/10/24/53/565102453.db2.gz VHUGWTIKDXQKIE-CQSZACIVSA-N -1 3 375.881 3.016 20 30 GGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000156735887 565103719 /nfs/dbraw/zinc/10/37/19/565103719.db2.gz QDMXFGIHCWUWGH-AWEZNQCLSA-N -1 3 377.809 3.086 20 30 GGEDHM CNS(=O)(=O)c1csc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000267113463 565105153 /nfs/dbraw/zinc/10/51/53/565105153.db2.gz BPNQTJQMEPPQCX-NSHDSACASA-N -1 3 395.531 3.303 20 30 GGEDHM CNS(=O)(=O)c1csc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000267113462 565105750 /nfs/dbraw/zinc/10/57/50/565105750.db2.gz BPNQTJQMEPPQCX-LLVKDONJSA-N -1 3 395.531 3.303 20 30 GGEDHM CNS(=O)(=O)c1csc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1 ZINC000267150613 565108031 /nfs/dbraw/zinc/10/80/31/565108031.db2.gz NHYZSGCSOBXSAY-NSHDSACASA-N -1 3 395.531 3.160 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000184304294 565126169 /nfs/dbraw/zinc/12/61/69/565126169.db2.gz URWBVXFIPZHYCG-WMZOPIPTSA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)c1 ZINC000184307030 565126194 /nfs/dbraw/zinc/12/61/94/565126194.db2.gz LAFNOMIYGVHSKD-UHFFFAOYSA-N -1 3 386.807 3.334 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000184304338 565127073 /nfs/dbraw/zinc/12/70/73/565127073.db2.gz URWBVXFIPZHYCG-AEFFLSMTSA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)c1 ZINC000184328552 565129915 /nfs/dbraw/zinc/12/99/15/565129915.db2.gz BDAGVIYYRKXGBW-UHFFFAOYSA-N -1 3 395.937 3.458 20 30 GGEDHM CCOc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccc1OC ZINC000157578652 565137095 /nfs/dbraw/zinc/13/70/95/565137095.db2.gz CMPVJZPFFZFEHV-UHFFFAOYSA-N -1 3 380.853 3.097 20 30 GGEDHM COCc1nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n[n-]1 ZINC000268461184 565153150 /nfs/dbraw/zinc/15/31/50/565153150.db2.gz DZPIFPRAHFBLSI-LLVKDONJSA-N -1 3 377.495 3.076 20 30 GGEDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000158717336 565179234 /nfs/dbraw/zinc/17/92/34/565179234.db2.gz BMWCKBOSPNDDID-LLVKDONJSA-N -1 3 378.837 3.038 20 30 GGEDHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cs1 ZINC000185565439 565207684 /nfs/dbraw/zinc/20/76/84/565207684.db2.gz GSSGOUHSHWKJAL-UHFFFAOYSA-N -1 3 383.926 3.487 20 30 GGEDHM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000185602615 565211281 /nfs/dbraw/zinc/21/12/81/565211281.db2.gz CUPGINDVHSPPDY-UHFFFAOYSA-N -1 3 385.214 3.269 20 30 GGEDHM COC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(F)c(F)c1 ZINC000185667453 565214614 /nfs/dbraw/zinc/21/46/14/565214614.db2.gz NMXPTCKHLXLDDH-HNNXBMFYSA-N -1 3 386.807 3.156 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000185893109 565227865 /nfs/dbraw/zinc/22/78/65/565227865.db2.gz IOGXZOKVLQEILZ-RDJZCZTQSA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)c1 ZINC000160048565 565229274 /nfs/dbraw/zinc/22/92/74/565229274.db2.gz DQKDQZMBJXXYNF-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM C=C(C)[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccc(F)c(F)c1 ZINC000186142438 565242050 /nfs/dbraw/zinc/24/20/50/565242050.db2.gz BOGJAGJGKUHTQZ-CQSZACIVSA-N -1 3 387.429 3.409 20 30 GGEDHM C=C(C)[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccc(F)c(F)c1 ZINC000186142419 565242349 /nfs/dbraw/zinc/24/23/49/565242349.db2.gz BOGJAGJGKUHTQZ-AWEZNQCLSA-N -1 3 387.429 3.409 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c1 ZINC000186208292 565247258 /nfs/dbraw/zinc/24/72/58/565247258.db2.gz MFGPJOYMJWXEOJ-UHFFFAOYSA-N -1 3 379.850 3.407 20 30 GGEDHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000271643976 565262696 /nfs/dbraw/zinc/26/26/96/565262696.db2.gz GZDUZJFEPQXBBG-JSGCOSHPSA-N -1 3 376.400 3.059 20 30 GGEDHM CC(C)n1cc(C#N)c([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000160996222 565268074 /nfs/dbraw/zinc/26/80/74/565268074.db2.gz SWZXSKIZRKXEJV-UHFFFAOYSA-N -1 3 378.186 3.259 20 30 GGEDHM C[C@@H](c1cccc(C#N)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000186859922 565292005 /nfs/dbraw/zinc/29/20/05/565292005.db2.gz HTJYVEAOUKTQKB-AWEZNQCLSA-N -1 3 375.519 3.124 20 30 GGEDHM N#CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000186901859 565293832 /nfs/dbraw/zinc/29/38/32/565293832.db2.gz KDTRHVMGQLIEMQ-OAHLLOKOSA-N -1 3 386.901 3.260 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000273579936 565326172 /nfs/dbraw/zinc/32/61/72/565326172.db2.gz ANNSEXGHWGBOIS-CYBMUJFWSA-N -1 3 376.400 3.205 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000273579938 565326540 /nfs/dbraw/zinc/32/65/40/565326540.db2.gz ANNSEXGHWGBOIS-ZDUSSCGKSA-N -1 3 376.400 3.205 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000163287252 565342759 /nfs/dbraw/zinc/34/27/59/565342759.db2.gz NWODANAFTVNALE-YOEHRIQHSA-N -1 3 376.865 3.410 20 30 GGEDHM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1cccc(Cl)c1 ZINC000163981674 565353649 /nfs/dbraw/zinc/35/36/49/565353649.db2.gz BDTZKIIWAHDPQD-KRWDZBQOSA-N -1 3 382.844 3.158 20 30 GGEDHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1cccc(Cl)c1 ZINC000163981767 565353658 /nfs/dbraw/zinc/35/36/58/565353658.db2.gz BDTZKIIWAHDPQD-QGZVFWFLSA-N -1 3 382.844 3.158 20 30 GGEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)c1 ZINC000164652745 565361454 /nfs/dbraw/zinc/36/14/54/565361454.db2.gz IFBRNMVDKAJDNG-UHFFFAOYSA-N -1 3 377.422 3.033 20 30 GGEDHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1Cl ZINC000164655542 565361489 /nfs/dbraw/zinc/36/14/89/565361489.db2.gz AQBPFLPKHIGFTO-QGZVFWFLSA-N -1 3 382.844 3.158 20 30 GGEDHM Cc1nc(C)c(CCC(=O)Nc2ccc(Br)c(C#N)c2)c(=O)[n-]1 ZINC000297950999 565393849 /nfs/dbraw/zinc/39/38/49/565393849.db2.gz UWHJWQGSGKSUGK-UHFFFAOYSA-N -1 3 375.226 3.005 20 30 GGEDHM C=CCN1CCC([N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000277041161 565472180 /nfs/dbraw/zinc/47/21/80/565472180.db2.gz KCQYRDYAJDROIM-UHFFFAOYSA-N -1 3 393.734 3.031 20 30 GGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl ZINC000172590101 565494069 /nfs/dbraw/zinc/49/40/69/565494069.db2.gz QNCIYBPOMUJJOR-UHFFFAOYSA-N -1 3 377.853 3.023 20 30 GGEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](CCC#N)c1ccccc1 ZINC000190313606 565522469 /nfs/dbraw/zinc/52/24/69/565522469.db2.gz NNTVNEPBAILKCX-CQSZACIVSA-N -1 3 378.475 3.167 20 30 GGEDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1ccn(CCC#N)n1 ZINC000173365598 565552530 /nfs/dbraw/zinc/55/25/30/565552530.db2.gz OAMWTEUFEMNACZ-UHFFFAOYSA-N -1 3 392.257 3.319 20 30 GGEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)COCc1ccccc1 ZINC000390390313 565555988 /nfs/dbraw/zinc/55/59/88/565555988.db2.gz IHZUNNXAWHGMRK-AWEZNQCLSA-N -1 3 378.881 3.343 20 30 GGEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)N(C)Cc1ccccc1 ZINC000390750173 565558197 /nfs/dbraw/zinc/55/81/97/565558197.db2.gz COANLTFDKZPGNR-CQSZACIVSA-N -1 3 377.897 3.010 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000278464344 565560233 /nfs/dbraw/zinc/56/02/33/565560233.db2.gz YJFUAODTGKNJQB-VIFPVBQESA-N -1 3 375.397 3.214 20 30 GGEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000191001639 565576073 /nfs/dbraw/zinc/57/60/73/565576073.db2.gz URLIGFBKBVLDNJ-ZDUSSCGKSA-N -1 3 386.901 3.258 20 30 GGEDHM O=C(CC(=O)NCC(F)(F)F)[N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000278833345 565579640 /nfs/dbraw/zinc/57/96/40/565579640.db2.gz QJHUOJPTEBYFIA-LLVKDONJSA-N -1 3 394.674 3.267 20 30 GGEDHM Cc1cc(Br)c([N-]S(=O)(=O)c2cncc(C#N)c2)cc1Cl ZINC000315048997 565589150 /nfs/dbraw/zinc/58/91/50/565589150.db2.gz YNJIHMFOLLIZFP-UHFFFAOYSA-N -1 3 386.658 3.478 20 30 GGEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3nccnc3c2Br)c1 ZINC000323935729 565616727 /nfs/dbraw/zinc/61/67/27/565616727.db2.gz SAJBCKIBRBKWEJ-UHFFFAOYSA-N -1 3 389.234 3.065 20 30 GGEDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000409485238 565618462 /nfs/dbraw/zinc/61/84/62/565618462.db2.gz NORRWJWWDHAKCW-VIFPVBQESA-N -1 3 375.397 3.382 20 30 GGEDHM N#Cc1cccc(-n2ccc(C(=O)Nc3cc(Br)ccc3[O-])n2)c1 ZINC000409783814 565640343 /nfs/dbraw/zinc/64/03/43/565640343.db2.gz MNZORIOJICFHQL-UHFFFAOYSA-N -1 3 383.205 3.464 20 30 GGEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000328856720 565645029 /nfs/dbraw/zinc/64/50/29/565645029.db2.gz KIPWRPSTSPMZHM-MELADBBJSA-N -1 3 385.555 3.019 20 30 GGEDHM N#Cc1cccc(-n2ccc(C(=O)NCc3ccc([O-])c(Br)c3)n2)c1 ZINC000409900632 565647879 /nfs/dbraw/zinc/64/78/79/565647879.db2.gz RFIJQZPNUJXCMA-UHFFFAOYSA-N -1 3 397.232 3.142 20 30 GGEDHM O=C(N[C@H]1CCCOC1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000329161232 565657109 /nfs/dbraw/zinc/65/71/09/565657109.db2.gz YWWCIZLALASGIQ-AWEZNQCLSA-N -1 3 386.539 3.233 20 30 GGEDHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCCOc3ccc(F)cc32)s1 ZINC000329178952 565658342 /nfs/dbraw/zinc/65/83/42/565658342.db2.gz CVYITQCKNYCVHU-LBPRGKRZSA-N -1 3 385.442 3.082 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1 ZINC000329276921 565661866 /nfs/dbraw/zinc/66/18/66/565661866.db2.gz LKCFGYLIHLTQOZ-GFCCVEGCSA-N -1 3 399.310 3.091 20 30 GGEDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000410135154 565666082 /nfs/dbraw/zinc/66/60/82/565666082.db2.gz PJAKLJFYRCEGKP-UHFFFAOYSA-N -1 3 375.397 3.074 20 30 GGEDHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3ccc(C#N)cc3Cl)nc21 ZINC000410322110 565677049 /nfs/dbraw/zinc/67/70/49/565677049.db2.gz GMYWFXJGXQCZEN-UHFFFAOYSA-N -1 3 375.837 3.182 20 30 GGEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCc2ccsc2)CCCC1 ZINC000329727824 565677552 /nfs/dbraw/zinc/67/75/52/565677552.db2.gz GYQVVDKYZHGHJU-UHFFFAOYSA-N -1 3 383.495 3.101 20 30 GGEDHM O=S(=O)([N-]C1(C(F)(F)F)CCOCC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000330878710 565727866 /nfs/dbraw/zinc/72/78/66/565727866.db2.gz XLXJHNDJDDWQRQ-UHFFFAOYSA-N -1 3 395.296 3.234 20 30 GGEDHM C[C@]([N-]S(=O)(=O)CC1(C#N)CCCCC1)(C(N)=O)c1cccc(Cl)c1 ZINC000331065396 565738085 /nfs/dbraw/zinc/73/80/85/565738085.db2.gz PQUGJVPVYMOPNL-MRXNPFEDSA-N -1 3 383.901 3.484 20 30 GGEDHM N#C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCCCC1 ZINC000176596479 565787278 /nfs/dbraw/zinc/78/72/78/565787278.db2.gz ALBCAURSJZEASJ-INIZCTEOSA-N -1 3 388.265 3.493 20 30 GGEDHM COc1cc(Br)c(S(=O)(=O)[N-]CCCCC#N)cc1Cl ZINC000176900741 565813196 /nfs/dbraw/zinc/81/31/96/565813196.db2.gz DWULNGXJDFLWES-UHFFFAOYSA-N -1 3 381.679 3.083 20 30 GGEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000285127280 565888717 /nfs/dbraw/zinc/88/87/17/565888717.db2.gz PTWCSFZUVHSQSS-NSHDSACASA-N -1 3 383.720 3.026 20 30 GGEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3sccc3Br)n2)cc1 ZINC000178003907 565889022 /nfs/dbraw/zinc/88/90/22/565889022.db2.gz LPPLPJXAOYOFAE-UHFFFAOYSA-N -1 3 388.250 3.274 20 30 GGEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000285155883 565891641 /nfs/dbraw/zinc/89/16/41/565891641.db2.gz RUUJCTSSAGEUTQ-LLVKDONJSA-N -1 3 383.720 3.026 20 30 GGEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CC1 ZINC000178333646 565913536 /nfs/dbraw/zinc/91/35/36/565913536.db2.gz LZDJANPJZACGNM-UHFFFAOYSA-N -1 3 383.564 3.109 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccncc3)CCCC2)c(Cl)c1 ZINC000414463189 565937754 /nfs/dbraw/zinc/93/77/54/565937754.db2.gz NDWHJSFKEJQBEJ-UHFFFAOYSA-N -1 3 375.881 3.397 20 30 GGEDHM C=C[C@@H](CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000179513824 565985251 /nfs/dbraw/zinc/98/52/51/565985251.db2.gz QVPNFRIMEBPYTC-ZDUSSCGKSA-N -1 3 398.937 3.156 20 30 GGEDHM O=C(CN[C@@H](c1ccccc1OC(F)F)C(F)(F)F)[N-]CC(F)(F)F ZINC000179916609 566018030 /nfs/dbraw/zinc/01/80/30/566018030.db2.gz CDESPXPYBHUVCI-JTQLQIEISA-N -1 3 380.235 3.160 20 30 GGEDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000287657563 566032939 /nfs/dbraw/zinc/03/29/39/566032939.db2.gz CQQRDWKABTYFPQ-VIFPVBQESA-N -1 3 398.282 3.008 20 30 GGEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(F)c(F)c1 ZINC000180307764 566053763 /nfs/dbraw/zinc/05/37/63/566053763.db2.gz MEZQXTRPQVRNKC-HNNXBMFYSA-N -1 3 386.807 3.156 20 30 GGEDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1c(C)noc1C ZINC000416437191 566068595 /nfs/dbraw/zinc/06/85/95/566068595.db2.gz GMRCYKQYWWRWLC-ZDUSSCGKSA-N -1 3 398.282 3.355 20 30 GGEDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416459679 566070414 /nfs/dbraw/zinc/07/04/14/566070414.db2.gz UFEKYIRDLWAAGE-SNVBAGLBSA-N -1 3 385.205 3.330 20 30 GGEDHM C[C@H](C#N)S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000416459642 566070676 /nfs/dbraw/zinc/07/06/76/566070676.db2.gz TXFCIIWTBLWOMQ-LDYMZIIASA-N -1 3 385.205 3.274 20 30 GGEDHM C[C@@H](C#N)S(=O)(=O)[N-]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000416484251 566073892 /nfs/dbraw/zinc/07/38/92/566073892.db2.gz RTFBYNOGDDIYQK-KSSFIOAISA-N -1 3 378.881 3.429 20 30 GGEDHM C[C@H](C#N)S(=O)(=O)[N-]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000416484252 566074690 /nfs/dbraw/zinc/07/46/90/566074690.db2.gz RTFBYNOGDDIYQK-RDTXWAMCSA-N -1 3 378.881 3.429 20 30 GGEDHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416490234 566075790 /nfs/dbraw/zinc/07/57/90/566075790.db2.gz UWVKVFSRBNRSNH-UHFFFAOYSA-N -1 3 398.282 3.139 20 30 GGEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000416495226 566076419 /nfs/dbraw/zinc/07/64/19/566076419.db2.gz MHTOVVUPWRZBHT-SNVBAGLBSA-N -1 3 379.226 3.034 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCC1CC(F)(F)C1 ZINC000416504297 566077334 /nfs/dbraw/zinc/07/73/34/566077334.db2.gz ZUXAWRFERDZKIA-UHFFFAOYSA-N -1 3 379.226 3.034 20 30 GGEDHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000416504356 566077456 /nfs/dbraw/zinc/07/74/56/566077456.db2.gz UHQQKNIRLYYUCM-GFCCVEGCSA-N -1 3 376.400 3.061 20 30 GGEDHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000416504357 566077648 /nfs/dbraw/zinc/07/76/48/566077648.db2.gz UHQQKNIRLYYUCM-LBPRGKRZSA-N -1 3 376.400 3.061 20 30 GGEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000288682268 566086554 /nfs/dbraw/zinc/08/65/54/566086554.db2.gz WZNXXUGFDHEZKK-NSHDSACASA-N -1 3 383.720 3.026 20 30 GGEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)OCC1CC1 ZINC000416595766 566092342 /nfs/dbraw/zinc/09/23/42/566092342.db2.gz MATMXCIIDHXZPS-UHFFFAOYSA-N -1 3 376.400 3.061 20 30 GGEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)CC(F)(F)F ZINC000416609849 566095158 /nfs/dbraw/zinc/09/51/58/566095158.db2.gz VWCFCPVJSYSHRM-QMMMGPOBSA-N -1 3 385.205 3.188 20 30 GGEDHM N#Cc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000416664129 566102091 /nfs/dbraw/zinc/10/20/91/566102091.db2.gz RULGSVGYVRUIAZ-CYBMUJFWSA-N -1 3 381.251 3.270 20 30 GGEDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000416666412 566102211 /nfs/dbraw/zinc/10/22/11/566102211.db2.gz WRKWNGANGDMBGC-CQSZACIVSA-N -1 3 377.447 3.192 20 30 GGEDHM O=C1c2cnn(-c3ncccn3)c2CC/C1=C\c1cc([O-])ccc1Br ZINC000366538007 566156832 /nfs/dbraw/zinc/15/68/32/566156832.db2.gz WVAHZBUXOFTRFT-DHZHZOJOSA-N -1 3 397.232 3.343 20 30 GGEDHM C=CCOc1c(Br)cc(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)cc1OC ZINC000417621947 566168436 /nfs/dbraw/zinc/16/84/36/566168436.db2.gz NSRWYKKFLRUSPO-OLZOCXBDSA-N -1 3 382.254 3.141 20 30 GGEDHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Br)cc1 ZINC000417643177 566169771 /nfs/dbraw/zinc/16/97/71/566169771.db2.gz ZDPUMAWDSCYATC-BDJLRTHQSA-N -1 3 376.254 3.211 20 30 GGEDHM N#Cc1c(Cl)cccc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000291382932 566218014 /nfs/dbraw/zinc/21/80/14/566218014.db2.gz BIZXXXPUFDQSEU-UHFFFAOYSA-N -1 3 381.910 3.220 20 30 GGEDHM Cc1nc(C)c(CCC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000264886281 566226479 /nfs/dbraw/zinc/22/64/79/566226479.db2.gz DLVJJONMOVGMEM-AWEZNQCLSA-N -1 3 379.247 3.420 20 30 GGEDHM Cn1cc(C#N)c([N-]C(=O)c2coc(-c3ccc(Br)cc3F)n2)n1 ZINC000183064176 566236478 /nfs/dbraw/zinc/23/64/78/566236478.db2.gz SUSCNPQUOPSDDS-UHFFFAOYSA-N -1 3 390.172 3.101 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1ccncc1 ZINC000555947693 566263808 /nfs/dbraw/zinc/26/38/08/566263808.db2.gz WAWQQPSTORXYPL-CQSZACIVSA-N -1 3 380.267 3.145 20 30 GGEDHM C=CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)OCC ZINC000420743887 566313670 /nfs/dbraw/zinc/31/36/70/566313670.db2.gz FNPVGRBFWOSMOY-NSHDSACASA-N -1 3 397.827 3.118 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c(F)c1 ZINC000556802851 566331906 /nfs/dbraw/zinc/33/19/06/566331906.db2.gz UHXFIGCCQUOHNK-UHFFFAOYSA-N -1 3 390.621 3.309 20 30 GGEDHM COc1ccc(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)c(Cl)c1Cl ZINC000462714379 566346488 /nfs/dbraw/zinc/34/64/88/566346488.db2.gz FIJUULXOOYCFJB-UHFFFAOYSA-N -1 3 389.235 3.491 20 30 GGEDHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1 ZINC000421164084 566351762 /nfs/dbraw/zinc/35/17/62/566351762.db2.gz JFXKFDIEEZGPST-ZDUSSCGKSA-N -1 3 380.388 3.260 20 30 GGEDHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000421237452 566359126 /nfs/dbraw/zinc/35/91/26/566359126.db2.gz RDCQERDPYGBICJ-HUUCEWRRSA-N -1 3 378.416 3.251 20 30 GGEDHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000510362720 566378450 /nfs/dbraw/zinc/37/84/50/566378450.db2.gz IHTXHJHGLNWTHS-IUODEOHRSA-N -1 3 381.885 3.212 20 30 GGEDHM CC[C@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000510395298 566380030 /nfs/dbraw/zinc/38/00/30/566380030.db2.gz MJQJJDPIVHDGIM-WFASDCNBSA-N -1 3 381.885 3.212 20 30 GGEDHM CC[C@H](C)N[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000510432491 566382950 /nfs/dbraw/zinc/38/29/50/566382950.db2.gz TZKDOIGUYKTHOJ-WFASDCNBSA-N -1 3 381.885 3.212 20 30 GGEDHM Cc1cc(C)c(C([O-])=C(C#N)c2ccncn2)cc1I ZINC000483806141 566402800 /nfs/dbraw/zinc/40/28/00/566402800.db2.gz KFBDNZQBTFEVEK-GFCCVEGCSA-N -1 3 377.185 3.188 20 30 GGEDHM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000510734213 566408582 /nfs/dbraw/zinc/40/85/82/566408582.db2.gz KOENXPZFCPHUQU-BHYGNILZSA-N -1 3 376.503 3.249 20 30 GGEDHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(OCC(F)(F)F)c(F)c1 ZINC000577153258 566408603 /nfs/dbraw/zinc/40/86/03/566408603.db2.gz QVXSBLQDWQAIJV-UHFFFAOYSA-N -1 3 399.284 3.087 20 30 GGEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000537181700 566429157 /nfs/dbraw/zinc/42/91/57/566429157.db2.gz JXZLSFZSVAVVMJ-HNNXBMFYSA-N -1 3 388.555 3.252 20 30 GGEDHM C=CCN(CC1CCCCC1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000484882530 566462308 /nfs/dbraw/zinc/46/23/08/566462308.db2.gz QMWZHZNKWMNMIS-UHFFFAOYSA-N -1 3 390.958 3.275 20 30 GGEDHM O=C(NO)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000671998214 566462464 /nfs/dbraw/zinc/46/24/64/566462464.db2.gz BTCNTBQQXFLBBG-UHFFFAOYSA-N -1 3 394.758 3.279 20 30 GGEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c1 ZINC000464422037 566475876 /nfs/dbraw/zinc/47/58/76/566475876.db2.gz UDANYZTXRBQVEI-CQSZACIVSA-N -1 3 375.288 3.064 20 30 GGEDHM CN(Cc1cccc(C#N)c1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000558511934 566481194 /nfs/dbraw/zinc/48/11/94/566481194.db2.gz VEBVHTKMPFLKEX-UHFFFAOYSA-N -1 3 396.244 3.434 20 30 GGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000538281611 566503787 /nfs/dbraw/zinc/50/37/87/566503787.db2.gz BAXDYEDJARCTCC-JTQLQIEISA-N -1 3 377.260 3.380 20 30 GGEDHM CN(C)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 ZINC000558775740 566505467 /nfs/dbraw/zinc/50/54/67/566505467.db2.gz XLOCKLXBVVXLNJ-INIZCTEOSA-N -1 3 398.315 3.446 20 30 GGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000603042249 566505815 /nfs/dbraw/zinc/50/58/15/566505815.db2.gz DOLGFYMEMUXZFX-UHFFFAOYSA-N -1 3 390.285 3.166 20 30 GGEDHM N#Cc1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc1C#N ZINC000485529254 566508009 /nfs/dbraw/zinc/50/80/09/566508009.db2.gz HTXBYBXNZLDNJG-UHFFFAOYSA-N -1 3 377.179 3.414 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1)C(F)(F)F ZINC000424215780 566522313 /nfs/dbraw/zinc/52/23/13/566522313.db2.gz QGMWZSJLNOQZJR-QMMMGPOBSA-N -1 3 397.312 3.333 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Br)ccc2F)c(F)c1 ZINC000559132988 566528185 /nfs/dbraw/zinc/52/81/85/566528185.db2.gz POVARKAMKQNEDR-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OC(F)F)c(F)c2)c1 ZINC000559145698 566530095 /nfs/dbraw/zinc/53/00/95/566530095.db2.gz QAXUXVGAEIKDFX-UHFFFAOYSA-N -1 3 390.770 3.431 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651685928 566551387 /nfs/dbraw/zinc/55/13/87/566551387.db2.gz JOWCBSCKZBXZQV-JQWIXIFHSA-N -1 3 380.329 3.079 20 30 GGEDHM N#Cc1ccncc1C(=O)[N-]c1nnc(-c2cccc(Br)c2)s1 ZINC000578932033 566565530 /nfs/dbraw/zinc/56/55/30/566565530.db2.gz DOAMXLQZIDEEOX-UHFFFAOYSA-N -1 3 386.234 3.487 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000466893654 566605865 /nfs/dbraw/zinc/60/58/65/566605865.db2.gz JBAHGIZFVKEFCT-UHFFFAOYSA-N -1 3 375.397 3.247 20 30 GGEDHM O=S(=O)([N-]CCSCC(F)(F)F)c1cc(C(F)(F)F)ccc1F ZINC000539858578 566608826 /nfs/dbraw/zinc/60/88/26/566608826.db2.gz QPHAVXIYZUHIOV-UHFFFAOYSA-N -1 3 385.326 3.418 20 30 GGEDHM CC(F)(F)C[N-]C(=O)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000560321919 566617471 /nfs/dbraw/zinc/61/74/71/566617471.db2.gz CLWGZKIUSYVJKB-UHFFFAOYSA-N -1 3 376.228 3.017 20 30 GGEDHM N#CC(=C([O-])c1cn2ccc(Br)cc2n1)c1nc2ccccc2[nH]1 ZINC000513746155 566620771 /nfs/dbraw/zinc/62/07/71/566620771.db2.gz PLSWDEZMFXRAGX-NSHDSACASA-N -1 3 380.205 3.463 20 30 GGEDHM CS[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)(C)C ZINC000579745477 566635333 /nfs/dbraw/zinc/63/53/33/566635333.db2.gz ARZQNNXUHOITBZ-CYBMUJFWSA-N -1 3 391.356 3.377 20 30 GGEDHM C[C@H]1C[C@@]1(C#N)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000450138561 566637788 /nfs/dbraw/zinc/63/77/88/566637788.db2.gz BORQXHMIQYWFPM-AYVTZFPOSA-N -1 3 379.645 3.403 20 30 GGEDHM C[C@@H]1C[C@@]1(C#N)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000450138562 566638663 /nfs/dbraw/zinc/63/86/63/566638663.db2.gz BORQXHMIQYWFPM-GLEZIHRCSA-N -1 3 379.645 3.403 20 30 GGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000540485087 566653275 /nfs/dbraw/zinc/65/32/75/566653275.db2.gz GXLCLTKQYDAHPC-CQSZACIVSA-N -1 3 386.583 3.476 20 30 GGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000540485084 566653564 /nfs/dbraw/zinc/65/35/64/566653564.db2.gz GXLCLTKQYDAHPC-AWEZNQCLSA-N -1 3 386.583 3.476 20 30 GGEDHM C=CCC(CC=C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000560737630 566653891 /nfs/dbraw/zinc/65/38/91/566653891.db2.gz HNRUHGQMQKLQPY-UHFFFAOYSA-N -1 3 391.320 3.156 20 30 GGEDHM C=C[C@@H](CCC(=O)[O-])NCc1cn(-c2ccccc2Br)nc1C ZINC000653504210 566673058 /nfs/dbraw/zinc/67/30/58/566673058.db2.gz LHVJVHBIFUKKHD-AWEZNQCLSA-N -1 3 378.270 3.452 20 30 GGEDHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000580537442 566702322 /nfs/dbraw/zinc/70/23/22/566702322.db2.gz OYEXVSUKGHWQTD-UHFFFAOYSA-N -1 3 378.841 3.146 20 30 GGEDHM N#CCCC[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000541309575 566713722 /nfs/dbraw/zinc/71/37/22/566713722.db2.gz AUQDMSMQZKMAEU-UHFFFAOYSA-N -1 3 386.296 3.155 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)c(Cl)c1 ZINC000561562007 566721327 /nfs/dbraw/zinc/72/13/27/566721327.db2.gz DZVFPUOUHIYQLP-HNNXBMFYSA-N -1 3 385.272 3.267 20 30 GGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C)c1Br ZINC000468844563 566737467 /nfs/dbraw/zinc/73/74/67/566737467.db2.gz GFGOTDNFMCCNOD-UHFFFAOYSA-N -1 3 381.251 3.439 20 30 GGEDHM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000488791616 566747741 /nfs/dbraw/zinc/74/77/41/566747741.db2.gz LRFDYRNKHGVGPW-SSDOTTSWSA-N -1 3 383.285 3.090 20 30 GGEDHM C[C@H](C(=O)[N-]CC(F)(F)F)[S@@](=O)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000488856791 566752963 /nfs/dbraw/zinc/75/29/63/566752963.db2.gz GALXSPYHQTVFCC-DPXIHYHHSA-N -1 3 397.287 3.299 20 30 GGEDHM COc1ccc(S(=O)(=O)[N-]CCc2cccc(C#N)c2)c(Cl)c1Cl ZINC000581163897 566755440 /nfs/dbraw/zinc/75/54/40/566755440.db2.gz XJLFQMSFJOISQO-UHFFFAOYSA-N -1 3 385.272 3.395 20 30 GGEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCC1 ZINC000541867768 566755680 /nfs/dbraw/zinc/75/56/80/566755680.db2.gz OQYTWSQACNZSNP-UHFFFAOYSA-N -1 3 384.885 3.144 20 30 GGEDHM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(Br)c1 ZINC000427194022 566756596 /nfs/dbraw/zinc/75/65/96/566756596.db2.gz XEKDOSVVUPLXNX-UHFFFAOYSA-N -1 3 385.214 3.269 20 30 GGEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 ZINC000609414738 566763746 /nfs/dbraw/zinc/76/37/46/566763746.db2.gz ROZVWSYBUVLNSV-CQSZACIVSA-N -1 3 398.271 3.360 20 30 GGEDHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451171428 566770311 /nfs/dbraw/zinc/77/03/11/566770311.db2.gz SFWKVQRAMUTILM-MRXNPFEDSA-N -1 3 376.865 3.435 20 30 GGEDHM N#Cc1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cc1 ZINC000609577021 566771953 /nfs/dbraw/zinc/77/19/53/566771953.db2.gz CKDIBHILOBLHMJ-UHFFFAOYSA-N -1 3 382.217 3.092 20 30 GGEDHM N#CC1(C[N-]S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CC1 ZINC000562385790 566787165 /nfs/dbraw/zinc/78/71/65/566787165.db2.gz MKQUGDITMUTBJE-UHFFFAOYSA-N -1 3 398.307 3.155 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)s2)s1 ZINC000562431594 566791621 /nfs/dbraw/zinc/79/16/21/566791621.db2.gz QJFWPVACMHVICN-RKDXNWHRSA-N -1 3 389.321 3.278 20 30 GGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000427757363 566794660 /nfs/dbraw/zinc/79/46/60/566794660.db2.gz YPUWUEUNNBUINA-HZMBPMFUSA-N -1 3 380.363 3.475 20 30 GGEDHM C=CCCCS(=O)(=O)[N-][C@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000489620214 566799219 /nfs/dbraw/zinc/79/92/19/566799219.db2.gz NBUNRONZMFVDGO-HNNXBMFYSA-N -1 3 380.293 3.267 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000581704965 566800731 /nfs/dbraw/zinc/80/07/31/566800731.db2.gz USQGLFYUKQOGCY-PIGZYNQJSA-N -1 3 391.265 3.002 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2cccc(Br)c2)c(F)c1 ZINC000610085692 566804845 /nfs/dbraw/zinc/80/48/45/566804845.db2.gz IDWAKXBHIDLATH-UHFFFAOYSA-N -1 3 397.269 3.371 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(Br)c2)c(F)c1 ZINC000610084964 566804919 /nfs/dbraw/zinc/80/49/19/566804919.db2.gz SRRWRUOBUIZGIQ-UKRRQHHQSA-N -1 3 395.253 3.294 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCCOc2ccc(Cl)cc2)c(F)c1 ZINC000610082237 566805078 /nfs/dbraw/zinc/80/50/78/566805078.db2.gz PLFSHENWPCWHAJ-UHFFFAOYSA-N -1 3 382.844 3.488 20 30 GGEDHM C=CCC(C)(C)CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000489796368 566809521 /nfs/dbraw/zinc/80/95/21/566809521.db2.gz LXAYYVVIDSZLQG-UHFFFAOYSA-N -1 3 393.336 3.380 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000489797193 566810385 /nfs/dbraw/zinc/81/03/85/566810385.db2.gz MDLYXNSCVSZYKN-SSDOTTSWSA-N -1 3 379.360 3.212 20 30 GGEDHM CC(F)(F)C[N-]C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000581899669 566813207 /nfs/dbraw/zinc/81/32/07/566813207.db2.gz VESZFTFKJIGCHU-UHFFFAOYSA-N -1 3 378.219 3.434 20 30 GGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000517240131 566814515 /nfs/dbraw/zinc/81/45/15/566814515.db2.gz ZEYRRSVMBGQGBS-IAQYHMDHSA-N -1 3 382.283 3.072 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)c(Cl)c1 ZINC000542758205 566824856 /nfs/dbraw/zinc/82/48/56/566824856.db2.gz UBHWRABINHPXBV-UHFFFAOYSA-N -1 3 383.256 3.278 20 30 GGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000582033990 566825071 /nfs/dbraw/zinc/82/50/71/566825071.db2.gz FPJKRBNKVVSILK-UHFFFAOYSA-N -1 3 399.697 3.495 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2Cl)cn1 ZINC000610575539 566845905 /nfs/dbraw/zinc/84/59/05/566845905.db2.gz VLEWHAGDWHCULR-UHFFFAOYSA-N -1 3 390.621 3.309 20 30 GGEDHM C=CCCO[C@H](C)C(=O)Nc1cc([N-]S(=O)(=O)CCC)c(F)cc1F ZINC000517807217 566849393 /nfs/dbraw/zinc/84/93/93/566849393.db2.gz VONLKCXZOUXNMG-LLVKDONJSA-N -1 3 376.425 3.036 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1[N+](=O)[O-] ZINC000490447213 566852354 /nfs/dbraw/zinc/85/23/54/566852354.db2.gz RUOVDYQMGLDBBW-UHFFFAOYSA-N -1 3 379.825 3.333 20 30 GGEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000610725421 566856396 /nfs/dbraw/zinc/85/63/96/566856396.db2.gz VDZOASHVSAQWPQ-CYBMUJFWSA-N -1 3 375.288 3.064 20 30 GGEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000611024286 566883856 /nfs/dbraw/zinc/88/38/56/566883856.db2.gz UWQCQANVNULJAQ-LLVKDONJSA-N -1 3 378.837 3.038 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(Br)c1 ZINC000611016933 566883936 /nfs/dbraw/zinc/88/39/36/566883936.db2.gz FRDPQQWRCRZYKV-GJZGRUSLSA-N -1 3 395.253 3.294 20 30 GGEDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000611080047 566887965 /nfs/dbraw/zinc/88/79/65/566887965.db2.gz BZMFEDBUXGBYNA-NSHDSACASA-N -1 3 378.837 3.038 20 30 GGEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000451909199 566904101 /nfs/dbraw/zinc/90/41/01/566904101.db2.gz XARWPOJOPOYOJS-NEPJUHHUSA-N -1 3 380.691 3.114 20 30 GGEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000543726010 566905378 /nfs/dbraw/zinc/90/53/78/566905378.db2.gz PMXYQJKVOARHRP-MRXNPFEDSA-N -1 3 398.315 3.446 20 30 GGEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000451912954 566905950 /nfs/dbraw/zinc/90/59/50/566905950.db2.gz VLWXBHHKPQPBHG-OLZOCXBDSA-N -1 3 380.691 3.114 20 30 GGEDHM C=CCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)n[n-]c1=O ZINC000470823548 566906890 /nfs/dbraw/zinc/90/68/90/566906890.db2.gz VNOSUYPVSNRRBA-GFCCVEGCSA-N -1 3 376.507 3.179 20 30 GGEDHM C=CCC[C@@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)OCC ZINC000451998213 566919458 /nfs/dbraw/zinc/91/94/58/566919458.db2.gz SDRVWBPEFFIDJH-CQSZACIVSA-N -1 3 379.400 3.023 20 30 GGEDHM Cn1c2ccc(Cl)cc2nc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000492060094 566922471 /nfs/dbraw/zinc/92/24/71/566922471.db2.gz ILNNJGSEGDHNHA-UHFFFAOYSA-N -1 3 395.271 3.230 20 30 GGEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1cccs1 ZINC000563948562 566932539 /nfs/dbraw/zinc/93/25/39/566932539.db2.gz DVMFWQZJNSHPQY-HNNXBMFYSA-N -1 3 384.910 3.311 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452095903 566935291 /nfs/dbraw/zinc/93/52/91/566935291.db2.gz WPLLSVNUYSIPOB-INIZCTEOSA-N -1 3 396.921 3.455 20 30 GGEDHM C=CCN1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000429837183 566956018 /nfs/dbraw/zinc/95/60/18/566956018.db2.gz BGVDMKIQMPUKER-UHFFFAOYSA-N -1 3 393.734 3.031 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429881754 566962576 /nfs/dbraw/zinc/96/25/76/566962576.db2.gz FZZPVWRSBGDVPJ-UHFFFAOYSA-N -1 3 378.734 3.247 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429908111 566966571 /nfs/dbraw/zinc/96/65/71/566966571.db2.gz IFTNNSANQVZLHZ-UHFFFAOYSA-N -1 3 378.734 3.247 20 30 GGEDHM N#CC(=C([O-])c1cc(Br)cc(Br)c1)c1ccncn1 ZINC000544817115 566997646 /nfs/dbraw/zinc/99/76/46/566997646.db2.gz KYAAZZWCGQVBLW-LLVKDONJSA-N -1 3 381.027 3.492 20 30 GGEDHM C=CC1CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC000472102739 567001260 /nfs/dbraw/zinc/00/12/60/567001260.db2.gz VVHWBCYLPSKCIA-UHFFFAOYSA-N -1 3 376.400 3.115 20 30 GGEDHM C=CCn1c(=O)[n-]nc1SCc1cc(OC)c(OC)cc1Br ZINC000564747528 567003764 /nfs/dbraw/zinc/00/37/64/567003764.db2.gz RLWCMVHJTJNQDR-UHFFFAOYSA-N -1 3 386.271 3.242 20 30 GGEDHM COc1cc(C(=O)N[C@H](C#N)c2ccccc2Br)cc(OC)c1[O-] ZINC000613021552 567010319 /nfs/dbraw/zinc/01/03/19/567010319.db2.gz HXEAZRMYPNYQTL-CYBMUJFWSA-N -1 3 391.221 3.167 20 30 GGEDHM COc1cc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc(OC)c1[O-] ZINC000613021553 567010548 /nfs/dbraw/zinc/01/05/48/567010548.db2.gz HXEAZRMYPNYQTL-ZDUSSCGKSA-N -1 3 391.221 3.167 20 30 GGEDHM C=CC(C)(C)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000452774849 567017095 /nfs/dbraw/zinc/01/70/95/567017095.db2.gz MNFPDYAAFSUSCJ-UHFFFAOYSA-N -1 3 384.548 3.230 20 30 GGEDHM N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000472360916 567021633 /nfs/dbraw/zinc/02/16/33/567021633.db2.gz QFRZTWGGMVJDBP-OAHLLOKOSA-N -1 3 384.233 3.025 20 30 GGEDHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cccc(SCC#N)c2)ccc1F ZINC000430724035 567031243 /nfs/dbraw/zinc/03/12/43/567031243.db2.gz LQCJJVOBHADMKL-UHFFFAOYSA-N -1 3 379.438 3.065 20 30 GGEDHM CC(C)(C)c1ccc(C#N)c(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000613428008 567035877 /nfs/dbraw/zinc/03/58/77/567035877.db2.gz RRKMELNJLOLGCZ-UHFFFAOYSA-N -1 3 398.941 3.356 20 30 GGEDHM C=C[C@H]1CCCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000473221265 567068767 /nfs/dbraw/zinc/06/87/67/567068767.db2.gz TXJJPKCUPFYOCM-AWEZNQCLSA-N -1 3 376.400 3.258 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1nc2c(s1)CCC2 ZINC000565470138 567071327 /nfs/dbraw/zinc/07/13/27/567071327.db2.gz JFCUFHQMSXENGX-SNVBAGLBSA-N -1 3 381.910 3.391 20 30 GGEDHM N#C[C@]1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CC12CCCC2 ZINC000565710945 567091578 /nfs/dbraw/zinc/09/15/78/567091578.db2.gz SXWROYLYKMYYLY-ZDUSSCGKSA-N -1 3 391.191 3.042 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000522057949 567097184 /nfs/dbraw/zinc/09/71/84/567097184.db2.gz LWHLPQXMDZHANN-BLLLJJGKSA-N -1 3 384.548 3.440 20 30 GGEDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000565766449 567097396 /nfs/dbraw/zinc/09/73/96/567097396.db2.gz JNGUPKQQMZAQLB-MNOVXSKESA-N -1 3 389.340 3.273 20 30 GGEDHM O=C(NCC#Cc1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522149544 567102121 /nfs/dbraw/zinc/10/21/21/567102121.db2.gz SSUJPDZKQLBZPC-UHFFFAOYSA-N -1 3 381.229 3.072 20 30 GGEDHM COc1ccc(Br)c(CS(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000565922230 567111444 /nfs/dbraw/zinc/11/14/44/567111444.db2.gz JBTGJVOMRRMYQN-UHFFFAOYSA-N -1 3 399.241 3.410 20 30 GGEDHM COc1ccc(C)cc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588110563 567113455 /nfs/dbraw/zinc/11/34/55/567113455.db2.gz SDPFKMJRGZBOKE-UHFFFAOYSA-N -1 3 395.278 3.116 20 30 GGEDHM O=C([N-]C(CF)CF)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000453790008 567113497 /nfs/dbraw/zinc/11/34/97/567113497.db2.gz BLMPOHJMZYNLEZ-UHFFFAOYSA-N -1 3 378.219 3.087 20 30 GGEDHM COc1cc(C)ccc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588119572 567115648 /nfs/dbraw/zinc/11/56/48/567115648.db2.gz STSFGYFWHILAMA-UHFFFAOYSA-N -1 3 395.278 3.116 20 30 GGEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000588142723 567117601 /nfs/dbraw/zinc/11/76/01/567117601.db2.gz LPLLGFJOKCWUON-UHFFFAOYSA-N -1 3 389.315 3.456 20 30 GGEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000546606448 567140870 /nfs/dbraw/zinc/14/08/70/567140870.db2.gz KPZBACAEKNPREO-HAQNSBGRSA-N -1 3 382.272 3.485 20 30 GGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000432279321 567143699 /nfs/dbraw/zinc/14/36/99/567143699.db2.gz GEOZGSNQWUGFHA-UHFFFAOYSA-N -1 3 392.315 3.347 20 30 GGEDHM COC[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1cccc(Cl)c1 ZINC000588909740 567145006 /nfs/dbraw/zinc/14/50/06/567145006.db2.gz BWVOEMYMYIJHHE-QGZVFWFLSA-N -1 3 382.844 3.158 20 30 GGEDHM COc1ccc(CN(CCC#N)Cc2cccnc2)c(Br)c1[O-] ZINC000546963534 567175359 /nfs/dbraw/zinc/17/53/59/567175359.db2.gz QWZVFNQHMWCNRH-UHFFFAOYSA-N -1 3 376.254 3.474 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2cc(Br)cc3c2OCCO3)nc(C)n1 ZINC000659024771 567179401 /nfs/dbraw/zinc/17/94/01/567179401.db2.gz JODXRQSXCHWCOG-CYBMUJFWSA-N -1 3 388.221 3.117 20 30 GGEDHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c(Cl)c1 ZINC000589594244 567184797 /nfs/dbraw/zinc/18/47/97/567184797.db2.gz MNYFMSVFBBIUGB-UHFFFAOYSA-N -1 3 378.837 3.302 20 30 GGEDHM CC[C@@H](CC#N)NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000547274726 567195134 /nfs/dbraw/zinc/19/51/34/567195134.db2.gz OOJPLDFUFHKWNW-ZDUSSCGKSA-N -1 3 383.539 3.171 20 30 GGEDHM N#Cc1c(F)cccc1NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000567185066 567225226 /nfs/dbraw/zinc/22/52/26/567225226.db2.gz FWVPLBWVNXGACN-UHFFFAOYSA-N -1 3 388.251 3.395 20 30 GGEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000547951920 567268051 /nfs/dbraw/zinc/26/80/51/567268051.db2.gz YHXFYMAGSLLUGP-LSDHHAIUSA-N -1 3 386.901 3.258 20 30 GGEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000660143304 567270676 /nfs/dbraw/zinc/27/06/76/567270676.db2.gz VBFAZRRARHIIIU-UHFFFAOYSA-N -1 3 388.917 3.074 20 30 GGEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000660143556 567270742 /nfs/dbraw/zinc/27/07/42/567270742.db2.gz URHAFYFYAVOQOX-UHFFFAOYSA-N -1 3 386.583 3.476 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)c1 ZINC000475780719 567276155 /nfs/dbraw/zinc/27/61/55/567276155.db2.gz PPCQYZDEECAZSC-UHFFFAOYSA-N -1 3 376.865 3.479 20 30 GGEDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000433888193 567282810 /nfs/dbraw/zinc/28/28/10/567282810.db2.gz OAHWBDGUJWCVCH-VIFPVBQESA-N -1 3 386.296 3.125 20 30 GGEDHM Cn1c(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)nc2cccc(Cl)c21 ZINC000476193428 567303799 /nfs/dbraw/zinc/30/37/99/567303799.db2.gz NMZWYXXHOAHSND-UHFFFAOYSA-N -1 3 395.271 3.230 20 30 GGEDHM C=C(C)[C@@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1ccc(F)c(F)c1 ZINC000476214911 567304561 /nfs/dbraw/zinc/30/45/61/567304561.db2.gz CNRZOBDKUYWIFX-OAHLLOKOSA-N -1 3 387.429 3.409 20 30 GGEDHM N#Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(Cl)s3)C2)c(F)c1 ZINC000568123905 567305551 /nfs/dbraw/zinc/30/55/51/567305551.db2.gz YYCLZDMBLURKPK-GFCCVEGCSA-N -1 3 399.900 3.360 20 30 GGEDHM C=C(CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000685855119 567305854 /nfs/dbraw/zinc/30/58/54/567305854.db2.gz KRAIBXQSUSZQAY-UHFFFAOYSA-N -1 3 399.299 3.101 20 30 GGEDHM CC[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)Oc1ccccc1F ZINC000476312742 567314508 /nfs/dbraw/zinc/31/45/08/567314508.db2.gz SLQHMUFPIWYSCY-ZDUSSCGKSA-N -1 3 382.844 3.487 20 30 GGEDHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476342594 567317237 /nfs/dbraw/zinc/31/72/37/567317237.db2.gz OMGBAAHTDAUDAO-UHFFFAOYSA-N -1 3 386.901 3.390 20 30 GGEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCC1 ZINC000548447523 567317226 /nfs/dbraw/zinc/31/72/26/567317226.db2.gz APZOMORYADVDDV-UHFFFAOYSA-N -1 3 384.885 3.144 20 30 GGEDHM CC(C)(C#N)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000617659979 567328436 /nfs/dbraw/zinc/32/84/36/567328436.db2.gz SHAMDABUKFRVKW-UHFFFAOYSA-N -1 3 382.645 3.224 20 30 GGEDHM CC(C)(C#N)CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000617659979 567328439 /nfs/dbraw/zinc/32/84/39/567328439.db2.gz SHAMDABUKFRVKW-UHFFFAOYSA-N -1 3 382.645 3.224 20 30 GGEDHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476501387 567329299 /nfs/dbraw/zinc/32/92/99/567329299.db2.gz YIDGUSBCFLPKAK-PIGZYNQJSA-N -1 3 382.844 3.405 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccnc(OC3CCC3)c2)c1 ZINC000476518329 567331101 /nfs/dbraw/zinc/33/11/01/567331101.db2.gz ZYROCVUSBHLPGF-UHFFFAOYSA-N -1 3 377.853 3.016 20 30 GGEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000592382192 567333526 /nfs/dbraw/zinc/33/35/26/567333526.db2.gz LMEMYTWAFNXKSD-GFCCVEGCSA-N -1 3 379.707 3.460 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2Br)c(F)c1 ZINC000548622990 567339121 /nfs/dbraw/zinc/33/91/21/567339121.db2.gz PEIWWDIBHIDLNR-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000568786787 567356787 /nfs/dbraw/zinc/35/67/87/567356787.db2.gz NHEJQFIXTIKQFN-OAHLLOKOSA-N -1 3 395.253 3.426 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCO[C@H]2CCCc3ccccc32)s1 ZINC000435421520 567361039 /nfs/dbraw/zinc/36/10/39/567361039.db2.gz JSVWYZVEKIQZCC-KRWDZBQOSA-N -1 3 376.503 3.382 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(COCC(F)(F)F)c2)s1 ZINC000435420240 567361181 /nfs/dbraw/zinc/36/11/81/567361181.db2.gz BKOZLJKPDIGVMK-UHFFFAOYSA-N -1 3 390.408 3.177 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Br)s1 ZINC000435427768 567362359 /nfs/dbraw/zinc/36/23/59/567362359.db2.gz NDEGXGNSCJBDQF-ZDUSSCGKSA-N -1 3 383.292 3.348 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(OCC(F)(F)F)c2)s1 ZINC000435431378 567363997 /nfs/dbraw/zinc/36/39/97/567363997.db2.gz CVKHMCGHZSJPHQ-UHFFFAOYSA-N -1 3 376.381 3.039 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3cccc(Br)c3)CC2)s1 ZINC000435433921 567364907 /nfs/dbraw/zinc/36/49/07/567364907.db2.gz VHUOQKOAAVWFFE-UHFFFAOYSA-N -1 3 397.319 3.392 20 30 GGEDHM C=CCC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCOCC1 ZINC000618248148 567365118 /nfs/dbraw/zinc/36/51/18/567365118.db2.gz XADWUGHHLDZAOI-UHFFFAOYSA-N -1 3 391.265 3.146 20 30 GGEDHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000435435314 567366090 /nfs/dbraw/zinc/36/60/90/567366090.db2.gz AEELRYGWFCVNBD-DOTOQJQBSA-N -1 3 376.865 3.445 20 30 GGEDHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000435441403 567368279 /nfs/dbraw/zinc/36/82/79/567368279.db2.gz FNINOXVRINONIX-DOTOQJQBSA-N -1 3 376.865 3.445 20 30 GGEDHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000435442514 567369174 /nfs/dbraw/zinc/36/91/74/567369174.db2.gz LJLOARUULWOWEX-WMLDXEAASA-N -1 3 376.865 3.445 20 30 GGEDHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000435442904 567369585 /nfs/dbraw/zinc/36/95/85/567369585.db2.gz LAUFWFKFYVVJQV-HNNXBMFYSA-N -1 3 392.893 3.075 20 30 GGEDHM C[C@@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435445226 567370254 /nfs/dbraw/zinc/37/02/54/567370254.db2.gz DJSVWNQSNVBBED-JTQLQIEISA-N -1 3 385.308 3.292 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000435579416 567375798 /nfs/dbraw/zinc/37/57/98/567375798.db2.gz KTNYQUSDNZHLAW-IINYFYTJSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000435578481 567375892 /nfs/dbraw/zinc/37/58/92/567375892.db2.gz IEKGGRRNGXYOHB-CMPLNLGQSA-N -1 3 380.329 3.079 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000435587398 567376890 /nfs/dbraw/zinc/37/68/90/567376890.db2.gz CNHXKRBYYBEQPC-IINYFYTJSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000435590412 567377176 /nfs/dbraw/zinc/37/71/76/567377176.db2.gz VXPGEVHDXBBENB-ZYHUDNBSSA-N -1 3 380.329 3.079 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000435595944 567378094 /nfs/dbraw/zinc/37/80/94/567378094.db2.gz DJGLAFZPNDZXPX-SMDDNHRTSA-N -1 3 386.782 3.463 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000435596794 567378582 /nfs/dbraw/zinc/37/85/82/567378582.db2.gz ZKHFOTSOODWCPE-HZMBPMFUSA-N -1 3 394.718 3.362 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2cc(Br)c3c(c2)OCCO3)nc(C)n1 ZINC000501319011 567380807 /nfs/dbraw/zinc/38/08/07/567380807.db2.gz HECXSZOQZFQCJX-LBPRGKRZSA-N -1 3 388.221 3.117 20 30 GGEDHM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)ccc1C#N ZINC000435749542 567387596 /nfs/dbraw/zinc/38/75/96/567387596.db2.gz UJNXXRUTAONXQT-UHFFFAOYSA-N -1 3 378.837 3.482 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c(C(F)(F)F)c1 ZINC000501445445 567389427 /nfs/dbraw/zinc/38/94/27/567389427.db2.gz DPTVUNVJVRPMMG-GHMZBOCLSA-N -1 3 384.326 3.016 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1ccc(F)cc1F ZINC000569252860 567390588 /nfs/dbraw/zinc/39/05/88/567390588.db2.gz NAJORNWJLCMILJ-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000569287734 567392521 /nfs/dbraw/zinc/39/25/21/567392521.db2.gz KDVZQWSPGVFYFB-UHFFFAOYSA-N -1 3 399.248 3.481 20 30 GGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000618604336 567402617 /nfs/dbraw/zinc/40/26/17/567402617.db2.gz JUBLCFDLKHYNAO-IUODEOHRSA-N -1 3 376.400 3.477 20 30 GGEDHM C=CCCO[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(Br)cc1 ZINC000640944232 567402815 /nfs/dbraw/zinc/40/28/15/567402815.db2.gz IGJLGDOXQRYICR-LBPRGKRZSA-N -1 3 378.270 3.489 20 30 GGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(N)=O)c(Cl)cc1Cl ZINC000549720725 567405976 /nfs/dbraw/zinc/40/59/76/567405976.db2.gz OILKVQJDESWMCW-UHFFFAOYSA-N -1 3 384.244 3.073 20 30 GGEDHM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000618715859 567409525 /nfs/dbraw/zinc/40/95/25/567409525.db2.gz KLATWAVUFOVAAN-HNNXBMFYSA-N -1 3 377.809 3.086 20 30 GGEDHM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000618716361 567409774 /nfs/dbraw/zinc/40/97/74/567409774.db2.gz KOTLSTLQWVVDLH-HNNXBMFYSA-N -1 3 395.253 3.426 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2cc(I)ccc2C)nc(C)n1 ZINC000477851488 567423454 /nfs/dbraw/zinc/42/34/54/567423454.db2.gz KOSLLIJXIHFHLV-CQSZACIVSA-N -1 3 391.212 3.497 20 30 GGEDHM CCN(c1ccc([O-])cc1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000436475621 567427058 /nfs/dbraw/zinc/42/70/58/567427058.db2.gz HCIYGHWNAZVWJG-UHFFFAOYSA-N -1 3 381.251 3.242 20 30 GGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1-n1cc(Br)cn1 ZINC000550111582 567427425 /nfs/dbraw/zinc/42/74/25/567427425.db2.gz XFLNJCAJCNTQJL-UHFFFAOYSA-N -1 3 397.298 3.316 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CCO)c1ccc(Cl)cc1 ZINC000569952063 567446487 /nfs/dbraw/zinc/44/64/87/567446487.db2.gz CPHDECFSQRPYTL-HNNXBMFYSA-N -1 3 385.272 3.267 20 30 GGEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000550434296 567446869 /nfs/dbraw/zinc/44/68/69/567446869.db2.gz ULQWXBKPWSMUNY-HNNXBMFYSA-N -1 3 395.253 3.426 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000619547283 567463230 /nfs/dbraw/zinc/46/32/30/567463230.db2.gz PAYYSMRAIAGVEF-LBPRGKRZSA-N -1 3 381.910 3.078 20 30 GGEDHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000550826950 567464523 /nfs/dbraw/zinc/46/45/23/567464523.db2.gz QSWDCGCFFIIBJH-JTQLQIEISA-N -1 3 385.308 3.292 20 30 GGEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000619752969 567478278 /nfs/dbraw/zinc/47/82/78/567478278.db2.gz GIUPXCLYBOJHOW-UHFFFAOYSA-N -1 3 399.255 3.130 20 30 GGEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)Oc1ccccc1F ZINC000503431554 567484131 /nfs/dbraw/zinc/48/41/31/567484131.db2.gz IPIPRPDHKZUECA-ZDUSSCGKSA-N -1 3 382.844 3.487 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2)c(Cl)c1 ZINC000503475404 567487284 /nfs/dbraw/zinc/48/72/84/567487284.db2.gz ZBOKIYUZQQZHFR-AWEZNQCLSA-N -1 3 396.299 3.422 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2)c(Cl)c1 ZINC000503500628 567490311 /nfs/dbraw/zinc/49/03/11/567490311.db2.gz BUXCEYDHMCYEKX-OAHLLOKOSA-N -1 3 375.881 3.159 20 30 GGEDHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000503706036 567502210 /nfs/dbraw/zinc/50/22/10/567502210.db2.gz UKOJNTOGADORBG-UHFFFAOYSA-N -1 3 379.869 3.262 20 30 GGEDHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000503722193 567503491 /nfs/dbraw/zinc/50/34/91/567503491.db2.gz DDOSACHTKSJJSV-UHFFFAOYSA-N -1 3 386.901 3.392 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000594721604 567503630 /nfs/dbraw/zinc/50/36/30/567503630.db2.gz STQPDVQYNXBNRB-CQSZACIVSA-N -1 3 389.315 3.454 20 30 GGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000594722360 567503835 /nfs/dbraw/zinc/50/38/35/567503835.db2.gz IHUICOGOYMOVIP-IAQYHMDHSA-N -1 3 389.290 3.480 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000594729658 567504850 /nfs/dbraw/zinc/50/48/50/567504850.db2.gz ZVKOLSJSCYUPJR-HNNXBMFYSA-N -1 3 387.299 3.208 20 30 GGEDHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000503774367 567505369 /nfs/dbraw/zinc/50/53/69/567505369.db2.gz OXHBIKNOYAHAHN-UHFFFAOYSA-N -1 3 378.881 3.476 20 30 GGEDHM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000503767821 567505416 /nfs/dbraw/zinc/50/54/16/567505416.db2.gz AEELRYGWFCVNBD-RDJZCZTQSA-N -1 3 376.865 3.445 20 30 GGEDHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000503812383 567506886 /nfs/dbraw/zinc/50/68/86/567506886.db2.gz ISDWZRPIUBAWSK-UHFFFAOYSA-N -1 3 386.901 3.392 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000594758748 567508045 /nfs/dbraw/zinc/50/80/45/567508045.db2.gz IVGLCYNRJJMVNM-BMFZPTHFSA-N -1 3 376.503 3.317 20 30 GGEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000479145377 567508425 /nfs/dbraw/zinc/50/84/25/567508425.db2.gz SFCFSOFEGCJTKE-KRWDZBQOSA-N -1 3 388.917 3.362 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CC2)c(Cl)c1 ZINC000503854626 567509546 /nfs/dbraw/zinc/50/95/46/567509546.db2.gz KHJLUXVJDNJPPS-UHFFFAOYSA-N -1 3 382.819 3.500 20 30 GGEDHM CCC1(O)CCC([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000594768482 567510928 /nfs/dbraw/zinc/51/09/28/567510928.db2.gz UYUUZQXEPUGQDD-UHFFFAOYSA-N -1 3 378.519 3.443 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000594781515 567511674 /nfs/dbraw/zinc/51/16/74/567511674.db2.gz QQODNYMTHWMMKY-UHFFFAOYSA-N -1 3 387.299 3.210 20 30 GGEDHM C=CCCSCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000594815525 567515804 /nfs/dbraw/zinc/51/58/04/567515804.db2.gz URWPZMLBMDDZPE-UHFFFAOYSA-N -1 3 380.894 3.025 20 30 GGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000551563419 567518739 /nfs/dbraw/zinc/51/87/39/567518739.db2.gz JAKMTYIMCBTNLS-GFCCVEGCSA-N -1 3 388.917 3.074 20 30 GGEDHM COCc1csc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000594851078 567520979 /nfs/dbraw/zinc/52/09/79/567520979.db2.gz WUMIPPMEJRZRTE-UHFFFAOYSA-N -1 3 390.408 3.263 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(Br)c2)s1 ZINC000571481365 567566171 /nfs/dbraw/zinc/56/61/71/567566171.db2.gz PPRCLODCSDYSSK-STQMWFEESA-N -1 3 383.292 3.217 20 30 GGEDHM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000479910624 567567835 /nfs/dbraw/zinc/56/78/35/567567835.db2.gz CZVXVQRKWMZJBU-PIGZYNQJSA-N -1 3 382.844 3.405 20 30 GGEDHM C=CCCO[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000439246916 567576423 /nfs/dbraw/zinc/57/64/23/567576423.db2.gz NUFBETLAEJKEII-VIFPVBQESA-N -1 3 383.221 3.293 20 30 GGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000480095363 567580611 /nfs/dbraw/zinc/58/06/11/567580611.db2.gz KCWVJKLYDQBFCM-UHFFFAOYSA-N -1 3 386.260 3.105 20 30 GGEDHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000552635681 567599047 /nfs/dbraw/zinc/59/90/47/567599047.db2.gz MJFHNJYRBMHISW-PIGZYNQJSA-N -1 3 382.844 3.405 20 30 GGEDHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000552635678 567599542 /nfs/dbraw/zinc/59/95/42/567599542.db2.gz MJFHNJYRBMHISW-APPDUMDISA-N -1 3 382.844 3.405 20 30 GGEDHM N#Cc1ccc(CN2CCN(Cc3cccc([O-])c3Br)CC2)cc1 ZINC000459296521 567613178 /nfs/dbraw/zinc/61/31/78/567613178.db2.gz QRRXEOORGIGSKK-UHFFFAOYSA-N -1 3 386.293 3.344 20 30 GGEDHM CN(CCCCN=c1[n-]c(C#N)c(Cl)s1)c1nc(C#N)c(Cl)s1 ZINC000596170848 567613457 /nfs/dbraw/zinc/61/34/57/567613457.db2.gz YGMQUGXLTHYZLV-UHFFFAOYSA-N -1 3 387.321 3.400 20 30 GGEDHM C=CCCCCCN(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000506633222 567635120 /nfs/dbraw/zinc/63/51/20/567635120.db2.gz JLXXBQFSZBWQIO-UHFFFAOYSA-N -1 3 393.962 3.068 20 30 GGEDHM C=CCCS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000480839227 567635297 /nfs/dbraw/zinc/63/52/97/567635297.db2.gz OBEINMXRHCMKNA-SNVBAGLBSA-N -1 3 386.271 3.056 20 30 GGEDHM Cc1nsc(N2CCN(Cc3cccc([O-])c3Br)CC2)c1C#N ZINC000459556544 567637567 /nfs/dbraw/zinc/63/75/67/567637567.db2.gz BNVDVFUKJVSCQD-UHFFFAOYSA-N -1 3 393.310 3.114 20 30 GGEDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)s1 ZINC000553430814 567653741 /nfs/dbraw/zinc/65/37/41/567653741.db2.gz MJHUBUJGHICIBK-VIFPVBQESA-N -1 3 386.296 3.125 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCCc1cccs1 ZINC000553534920 567663133 /nfs/dbraw/zinc/66/31/33/567663133.db2.gz RUJQMQHGCJKCLY-UHFFFAOYSA-N -1 3 385.308 3.293 20 30 GGEDHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000572795916 567666298 /nfs/dbraw/zinc/66/62/98/567666298.db2.gz RXUPVMWTASSHKV-HWPZZCPQSA-N -1 3 393.262 3.121 20 30 GGEDHM C[C@@H](C#N)CN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000553576016 567668133 /nfs/dbraw/zinc/66/81/33/567668133.db2.gz VPAYSHOYIUWKQE-QMMMGPOBSA-N -1 3 382.645 3.176 20 30 GGEDHM C[C@@H](C#N)CN(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000553576016 567668139 /nfs/dbraw/zinc/66/81/39/567668139.db2.gz VPAYSHOYIUWKQE-QMMMGPOBSA-N -1 3 382.645 3.176 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCO)c1ccc(Cl)cc1 ZINC000553590700 567669511 /nfs/dbraw/zinc/66/95/11/567669511.db2.gz UIKAOAVTNOZSTO-HNNXBMFYSA-N -1 3 385.272 3.267 20 30 GGEDHM N#Cc1cccc(CS(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000481487760 567681789 /nfs/dbraw/zinc/68/17/89/567681789.db2.gz CMOJXOQVIJLVLR-OAHLLOKOSA-N -1 3 385.272 3.018 20 30 GGEDHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000481498725 567683998 /nfs/dbraw/zinc/68/39/98/567683998.db2.gz AYUVBMFMXFMHQY-GFCCVEGCSA-N -1 3 378.416 3.043 20 30 GGEDHM CCOc1ccccc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553795379 567685053 /nfs/dbraw/zinc/68/50/53/567685053.db2.gz OLBPKYZMHGPMAB-UHFFFAOYSA-N -1 3 395.278 3.198 20 30 GGEDHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553799173 567686122 /nfs/dbraw/zinc/68/61/22/567686122.db2.gz JEJSKJNDOBPXJR-JTQLQIEISA-N -1 3 385.308 3.292 20 30 GGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442225579 567686973 /nfs/dbraw/zinc/68/69/73/567686973.db2.gz VYVNHIAEKJMPGP-UHFFFAOYSA-N -1 3 386.807 3.335 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000553819989 567687608 /nfs/dbraw/zinc/68/76/08/567687608.db2.gz VEQKKEVMHWARCJ-UHFFFAOYSA-N -1 3 377.263 3.288 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000553866253 567692819 /nfs/dbraw/zinc/69/28/19/567692819.db2.gz KPTAOZHQCGVNRO-SWLSCSKDSA-N -1 3 395.253 3.294 20 30 GGEDHM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553873138 567694460 /nfs/dbraw/zinc/69/44/60/567694460.db2.gz ZZTAKZFGRMSRSK-NSHDSACASA-N -1 3 394.294 3.318 20 30 GGEDHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000553911836 567698893 /nfs/dbraw/zinc/69/88/93/567698893.db2.gz SGGHSGHPIGOFNE-CQSZACIVSA-N -1 3 378.881 3.485 20 30 GGEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CCCCC1 ZINC000442847397 567712333 /nfs/dbraw/zinc/71/23/33/567712333.db2.gz LGUPYOMNUALJQV-OAHLLOKOSA-N -1 3 384.885 3.002 20 30 GGEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000508024398 567722321 /nfs/dbraw/zinc/72/23/21/567722321.db2.gz DDPUOOTZBMDCMZ-SECBINFHSA-N -1 3 386.296 3.153 20 30 GGEDHM N#C[C@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCc2ccccc2C1 ZINC000461119097 567722616 /nfs/dbraw/zinc/72/26/16/567722616.db2.gz SUAHVNHYCNUWKX-HNNXBMFYSA-N -1 3 386.420 3.496 20 30 GGEDHM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443012115 567722919 /nfs/dbraw/zinc/72/29/19/567722919.db2.gz GIQMRQQDVICGBX-SNVBAGLBSA-N -1 3 386.807 3.236 20 30 GGEDHM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443012114 567723189 /nfs/dbraw/zinc/72/31/89/567723189.db2.gz GIQMRQQDVICGBX-JTQLQIEISA-N -1 3 386.807 3.236 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000443020499 567724918 /nfs/dbraw/zinc/72/49/18/567724918.db2.gz MPUNNKQDOHDZAZ-UHFFFAOYSA-N -1 3 399.255 3.115 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cccc(Br)c1 ZINC000443031455 567726092 /nfs/dbraw/zinc/72/60/92/567726092.db2.gz WSFSDQRURYQJDT-UHFFFAOYSA-N -1 3 385.670 3.453 20 30 GGEDHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)N(C)C)cc1 ZINC000443039349 567726165 /nfs/dbraw/zinc/72/61/65/567726165.db2.gz SDOJAEFXJGWYFP-QGZVFWFLSA-N -1 3 377.897 3.101 20 30 GGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000508084823 567727818 /nfs/dbraw/zinc/72/78/18/567727818.db2.gz OIUMGVMJHUDPBZ-UHFFFAOYSA-N -1 3 386.807 3.291 20 30 GGEDHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)cc1 ZINC000508090246 567728180 /nfs/dbraw/zinc/72/81/80/567728180.db2.gz VBBAWSMTGZUTLN-UHFFFAOYSA-N -1 3 394.294 3.183 20 30 GGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000508084907 567728187 /nfs/dbraw/zinc/72/81/87/567728187.db2.gz OSUZICYLDKJDQG-LBPRGKRZSA-N -1 3 397.747 3.416 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCc1nc2c(s1)CCCC2 ZINC000443073797 567728873 /nfs/dbraw/zinc/72/88/73/567728873.db2.gz WVDBDWLSWQFHKG-UHFFFAOYSA-N -1 3 395.937 3.458 20 30 GGEDHM COc1ccc(S(=O)(=O)[N-][C@](C)(C#N)CCSC)c(Cl)c1Cl ZINC000508100489 567728978 /nfs/dbraw/zinc/72/89/78/567728978.db2.gz XLFDCFNKZVMILI-ZDUSSCGKSA-N -1 3 383.322 3.316 20 30 GGEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)N(C)Cc1ccccc1 ZINC000443075600 567729232 /nfs/dbraw/zinc/72/92/32/567729232.db2.gz BKCLNYVZDGISDA-AWEZNQCLSA-N -1 3 377.897 3.010 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000443072404 567729279 /nfs/dbraw/zinc/72/92/79/567729279.db2.gz RGDVMIZUQWDQMZ-SJLPKXTDSA-N -1 3 376.865 3.410 20 30 GGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000508102399 567730381 /nfs/dbraw/zinc/73/03/81/567730381.db2.gz MCQSOPSVWWKFLC-LBPRGKRZSA-N -1 3 397.747 3.416 20 30 GGEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1Cl ZINC000443094481 567731544 /nfs/dbraw/zinc/73/15/44/567731544.db2.gz CPOSSFUVRAMQSZ-MRXNPFEDSA-N -1 3 398.315 3.446 20 30 GGEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000508126498 567732164 /nfs/dbraw/zinc/73/21/64/567732164.db2.gz DWJLBLSUMLMVLE-QGZVFWFLSA-N -1 3 386.901 3.116 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1 ZINC000443121760 567733747 /nfs/dbraw/zinc/73/37/47/567733747.db2.gz DWEKDFWSIAPWBB-INIZCTEOSA-N -1 3 375.881 3.159 20 30 GGEDHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443115495 567733764 /nfs/dbraw/zinc/73/37/64/567733764.db2.gz YLBDCPRLPVRIMG-DIFFPNOSSA-N -1 3 382.844 3.405 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1 ZINC000443120968 567733960 /nfs/dbraw/zinc/73/39/60/567733960.db2.gz BXZSNFIWFPGFIJ-AWEZNQCLSA-N -1 3 375.881 3.159 20 30 GGEDHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443242077 567742153 /nfs/dbraw/zinc/74/21/53/567742153.db2.gz BNRQOXNZNMKGFB-QZTJIDSGSA-N -1 3 376.865 3.229 20 30 GGEDHM CC1CC(C#N)(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)C1 ZINC000532937880 567743936 /nfs/dbraw/zinc/74/39/36/567743936.db2.gz YPRPIMODKTUKKI-UHFFFAOYSA-N -1 3 377.217 3.279 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1c[nH]c2ccc(Cl)cc12 ZINC000443340219 567750156 /nfs/dbraw/zinc/75/01/56/567750156.db2.gz BRHSXSKUTAZAPB-UHFFFAOYSA-N -1 3 377.828 3.353 20 30 GGEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000574209333 567763890 /nfs/dbraw/zinc/76/38/90/567763890.db2.gz HYQRHUKYBIBARS-CYBMUJFWSA-N -1 3 377.691 3.214 20 30 GGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000574245394 567766852 /nfs/dbraw/zinc/76/68/52/567766852.db2.gz ABDWVRBFRDHZKT-UHFFFAOYSA-N -1 3 399.697 3.495 20 30 GGEDHM CSc1cc(C)c(C(=O)[N-]c2sc3c(c2C#N)CCN(C(C)=O)C3)o1 ZINC000598890254 567798166 /nfs/dbraw/zinc/79/81/66/567798166.db2.gz OSZASWJBXPHVOE-UHFFFAOYSA-N -1 3 375.475 3.400 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000052398511 570748435 /nfs/dbraw/zinc/74/84/35/570748435.db2.gz FFVWQFVKMXVCGF-UHFFFAOYSA-N -1 3 392.503 3.055 20 30 GGEDHM COc1ccccc1-c1nc(NC(=O)Cc2cc3ccccc3[nH]c2=O)n[n-]1 ZINC000047107793 570940355 /nfs/dbraw/zinc/94/03/55/570940355.db2.gz SABNLZXOPDWPMJ-UHFFFAOYSA-N -1 3 375.388 3.153 20 30 GGEDHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735680017 598913242 /nfs/dbraw/zinc/91/32/42/598913242.db2.gz QPHHSUHKHTZOPS-UHFFFAOYSA-N -1 3 382.811 3.188 20 30 GGEDHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735680017 598913244 /nfs/dbraw/zinc/91/32/44/598913244.db2.gz QPHHSUHKHTZOPS-UHFFFAOYSA-N -1 3 382.811 3.188 20 30 GGEDHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735679207 598913336 /nfs/dbraw/zinc/91/33/36/598913336.db2.gz FZYZWYFKHHHMKX-UHFFFAOYSA-N -1 3 382.811 3.188 20 30 GGEDHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735679207 598913338 /nfs/dbraw/zinc/91/33/38/598913338.db2.gz FZYZWYFKHHHMKX-UHFFFAOYSA-N -1 3 382.811 3.188 20 30 GGEDHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737265570 598920289 /nfs/dbraw/zinc/92/02/89/598920289.db2.gz XAILXEOZVVCPNX-LLVKDONJSA-N -1 3 382.811 3.106 20 30 GGEDHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737265570 598920292 /nfs/dbraw/zinc/92/02/92/598920292.db2.gz XAILXEOZVVCPNX-LLVKDONJSA-N -1 3 382.811 3.106 20 30 GGEDHM CCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1OCC ZINC000736490393 598920709 /nfs/dbraw/zinc/92/07/09/598920709.db2.gz LDIRVNPWBLNUBZ-UHFFFAOYSA-N -1 3 392.419 3.178 20 30 GGEDHM CCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1OCC ZINC000736490393 598920710 /nfs/dbraw/zinc/92/07/10/598920710.db2.gz LDIRVNPWBLNUBZ-UHFFFAOYSA-N -1 3 392.419 3.178 20 30 GGEDHM N#Cc1cc(NC(=O)Cc2csc(-c3ccccc3)n2)ccc1-c1nnn[n-]1 ZINC000737710049 598921547 /nfs/dbraw/zinc/92/15/47/598921547.db2.gz USLCPPBZUFNRFF-UHFFFAOYSA-N -1 3 387.428 3.043 20 30 GGEDHM N#Cc1cc(NC(=O)Cc2csc(-c3ccccc3)n2)ccc1-c1nn[n-]n1 ZINC000737710049 598921549 /nfs/dbraw/zinc/92/15/49/598921549.db2.gz USLCPPBZUFNRFF-UHFFFAOYSA-N -1 3 387.428 3.043 20 30 GGEDHM Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737229943 598927888 /nfs/dbraw/zinc/92/78/88/598927888.db2.gz ARKHHQMNGSZJLK-UHFFFAOYSA-N -1 3 383.209 3.062 20 30 GGEDHM Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737229943 598927889 /nfs/dbraw/zinc/92/78/89/598927889.db2.gz ARKHHQMNGSZJLK-UHFFFAOYSA-N -1 3 383.209 3.062 20 30 GGEDHM Cc1cccc(OCCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737400645 598929574 /nfs/dbraw/zinc/92/95/74/598929574.db2.gz CTXXDSMRNHSYHY-UHFFFAOYSA-N -1 3 376.420 3.235 20 30 GGEDHM Cc1cccc(OCCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737400645 598929576 /nfs/dbraw/zinc/92/95/76/598929576.db2.gz CTXXDSMRNHSYHY-UHFFFAOYSA-N -1 3 376.420 3.235 20 30 GGEDHM CCOc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc(Cl)c1OC ZINC000821395491 607253213 /nfs/dbraw/zinc/25/32/13/607253213.db2.gz YKECKBMVEYTWOP-UHFFFAOYSA-N -1 3 386.843 3.051 20 30 GGEDHM CCOc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc(Cl)c1OC ZINC000821395491 607253214 /nfs/dbraw/zinc/25/32/14/607253214.db2.gz YKECKBMVEYTWOP-UHFFFAOYSA-N -1 3 386.843 3.051 20 30 GGEDHM N#CCCCCOC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000737686907 598964544 /nfs/dbraw/zinc/96/45/44/598964544.db2.gz FMMJGTIXQGXXDA-UHFFFAOYSA-N -1 3 377.404 3.296 20 30 GGEDHM N#CCCCCOC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000737686907 598964545 /nfs/dbraw/zinc/96/45/45/598964545.db2.gz FMMJGTIXQGXXDA-UHFFFAOYSA-N -1 3 377.404 3.296 20 30 GGEDHM C[C@@](C#N)(NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000735505687 598969990 /nfs/dbraw/zinc/96/99/90/598969990.db2.gz VAMIXCMNWNOBMZ-NRFANRHFSA-N -1 3 396.495 3.395 20 30 GGEDHM C[C@@](C#N)(NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735505687 598969992 /nfs/dbraw/zinc/96/99/92/598969992.db2.gz VAMIXCMNWNOBMZ-NRFANRHFSA-N -1 3 396.495 3.395 20 30 GGEDHM COc1cc(-c2nnn[n-]2)ccc1OCCON=C(C)c1cc2ccccc2o1 ZINC000737031583 598977618 /nfs/dbraw/zinc/97/76/18/598977618.db2.gz AOYCJPRETHCVAI-UHFFFAOYSA-N -1 3 393.403 3.441 20 30 GGEDHM COc1cc(-c2nn[n-]n2)ccc1OCCON=C(C)c1cc2ccccc2o1 ZINC000737031583 598977620 /nfs/dbraw/zinc/97/76/20/598977620.db2.gz AOYCJPRETHCVAI-UHFFFAOYSA-N -1 3 393.403 3.441 20 30 GGEDHM Cc1ccc(N(CCC#N)C(=O)CNc2cccc(-c3nnn[n-]3)c2C)cc1C ZINC000822240824 607257981 /nfs/dbraw/zinc/25/79/81/607257981.db2.gz AJKAPBCBFFYDMT-UHFFFAOYSA-N -1 3 389.463 3.151 20 30 GGEDHM Cc1ccc(N(CCC#N)C(=O)CNc2cccc(-c3nn[n-]n3)c2C)cc1C ZINC000822240824 607257982 /nfs/dbraw/zinc/25/79/82/607257982.db2.gz AJKAPBCBFFYDMT-UHFFFAOYSA-N -1 3 389.463 3.151 20 30 GGEDHM N#Cc1ccc(F)c(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)c1 ZINC000822830204 599074306 /nfs/dbraw/zinc/07/43/06/599074306.db2.gz XAIRTWVPNYSTQK-UHFFFAOYSA-N -1 3 379.786 3.113 20 30 GGEDHM N#Cc1ccc(F)c(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)c1 ZINC000822830204 599074308 /nfs/dbraw/zinc/07/43/08/599074308.db2.gz XAIRTWVPNYSTQK-UHFFFAOYSA-N -1 3 379.786 3.113 20 30 GGEDHM Cc1c(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015273 599111644 /nfs/dbraw/zinc/11/16/44/599111644.db2.gz GQNNKGXERXMRTI-MDZDMXLPSA-N -1 3 385.431 3.209 20 30 GGEDHM Cc1c(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015273 599111647 /nfs/dbraw/zinc/11/16/47/599111647.db2.gz GQNNKGXERXMRTI-MDZDMXLPSA-N -1 3 385.431 3.209 20 30 GGEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(OC)c1OC ZINC000821786286 599113345 /nfs/dbraw/zinc/11/33/45/599113345.db2.gz CQJBCFAGCQCJKD-QBFSEMIESA-N -1 3 392.415 3.105 20 30 GGEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(OC)c1OC ZINC000821786286 599113347 /nfs/dbraw/zinc/11/33/47/599113347.db2.gz CQJBCFAGCQCJKD-QBFSEMIESA-N -1 3 392.415 3.105 20 30 GGEDHM COc1ccc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000737083344 599129322 /nfs/dbraw/zinc/12/93/22/599129322.db2.gz QTAQZRSWPOOMIS-UHFFFAOYSA-N -1 3 387.325 3.212 20 30 GGEDHM COc1ccc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000737083344 599129324 /nfs/dbraw/zinc/12/93/24/599129324.db2.gz QTAQZRSWPOOMIS-UHFFFAOYSA-N -1 3 387.325 3.212 20 30 GGEDHM COc1ccc(C=NNc2ccc(F)cc2Br)cc1-c1nnn[n-]1 ZINC000737082850 599129381 /nfs/dbraw/zinc/12/93/81/599129381.db2.gz LASTZQUHVDFXBF-UHFFFAOYSA-N -1 3 391.204 3.223 20 30 GGEDHM COc1ccc(C=NNc2ccc(F)cc2Br)cc1-c1nn[n-]n1 ZINC000737082850 599129384 /nfs/dbraw/zinc/12/93/84/599129384.db2.gz LASTZQUHVDFXBF-UHFFFAOYSA-N -1 3 391.204 3.223 20 30 GGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccc(C#N)cc2)c1C ZINC000735451148 599148430 /nfs/dbraw/zinc/14/84/30/599148430.db2.gz QETKAXKFBAWRSJ-UHFFFAOYSA-N -1 3 383.419 3.069 20 30 GGEDHM COc1ccc(C=CC(=O)c2cnn(-c3ccc(-c4nn[n-]n4)cc3)c2C)cc1 ZINC000737080726 599156701 /nfs/dbraw/zinc/15/67/01/599156701.db2.gz GZHJLATYBWTIEO-XGICHPGQSA-N -1 3 386.415 3.266 20 30 GGEDHM N#Cc1cccc(-c2nnc(COc3ccc(-c4nnn[n-]4)cc3Cl)o2)c1 ZINC000737723361 599163417 /nfs/dbraw/zinc/16/34/17/599163417.db2.gz TVGUTKQHPFLNED-UHFFFAOYSA-N -1 3 379.767 3.021 20 30 GGEDHM N#Cc1cccc(-c2nnc(COc3ccc(-c4nn[n-]n4)cc3Cl)o2)c1 ZINC000737723361 599163419 /nfs/dbraw/zinc/16/34/19/599163419.db2.gz TVGUTKQHPFLNED-UHFFFAOYSA-N -1 3 379.767 3.021 20 30 GGEDHM C#CCN(CC)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735375308 599193345 /nfs/dbraw/zinc/19/33/45/599193345.db2.gz XUIBIVCBKMZJEY-UHFFFAOYSA-N -1 3 381.823 3.408 20 30 GGEDHM C[C@@H](C#N)CNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735503065 599200626 /nfs/dbraw/zinc/20/06/26/599200626.db2.gz IRXMPRZVFQAWSJ-NSHDSACASA-N -1 3 382.811 3.202 20 30 GGEDHM CC(C)(C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735571787 599201020 /nfs/dbraw/zinc/20/10/20/599201020.db2.gz JPDLJVNALXCLKU-UHFFFAOYSA-N -1 3 382.811 3.344 20 30 GGEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736244723 599201409 /nfs/dbraw/zinc/20/14/09/599201409.db2.gz MKWBLJNGFKCDDK-MGPUTAFESA-N -1 3 382.468 3.004 20 30 GGEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736244723 599201411 /nfs/dbraw/zinc/20/14/11/599201411.db2.gz MKWBLJNGFKCDDK-MGPUTAFESA-N -1 3 382.468 3.004 20 30 GGEDHM COc1cc(CN(C)C[C@@H](C)C#N)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737045977 599208493 /nfs/dbraw/zinc/20/84/93/599208493.db2.gz WNSLXOVRTSZEDF-HNNXBMFYSA-N -1 3 392.463 3.046 20 30 GGEDHM COc1cc(CN(C)C[C@@H](C)C#N)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000737045977 599208495 /nfs/dbraw/zinc/20/84/95/599208495.db2.gz WNSLXOVRTSZEDF-HNNXBMFYSA-N -1 3 392.463 3.046 20 30 GGEDHM N#CCSCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737697184 599211120 /nfs/dbraw/zinc/21/11/20/599211120.db2.gz DDMAKCMJWSDCOW-UHFFFAOYSA-N -1 3 398.879 3.310 20 30 GGEDHM N#CCSCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737697184 599211122 /nfs/dbraw/zinc/21/11/22/599211122.db2.gz DDMAKCMJWSDCOW-UHFFFAOYSA-N -1 3 398.879 3.310 20 30 GGEDHM C[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820404339 599238438 /nfs/dbraw/zinc/23/84/38/599238438.db2.gz SPBSNRZVVUFVMJ-JTQLQIEISA-N -1 3 383.868 3.439 20 30 GGEDHM C[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820404339 599238440 /nfs/dbraw/zinc/23/84/40/599238440.db2.gz SPBSNRZVVUFVMJ-JTQLQIEISA-N -1 3 383.868 3.439 20 30 GGEDHM Cc1c(C#N)cccc1NC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822015339 607285620 /nfs/dbraw/zinc/28/56/20/607285620.db2.gz IYHZJSNMWSUUCT-UHFFFAOYSA-N -1 3 393.476 3.102 20 30 GGEDHM Cc1c(C#N)cccc1NC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822015339 607285621 /nfs/dbraw/zinc/28/56/21/607285621.db2.gz IYHZJSNMWSUUCT-UHFFFAOYSA-N -1 3 393.476 3.102 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sc(NC2CC2)nc1C ZINC000819745540 607323669 /nfs/dbraw/zinc/32/36/69/607323669.db2.gz IFDGTURWVPLZNG-UHFFFAOYSA-N -1 3 395.492 3.034 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sc(NC2CC2)nc1C ZINC000819745540 607323670 /nfs/dbraw/zinc/32/36/70/607323670.db2.gz IFDGTURWVPLZNG-UHFFFAOYSA-N -1 3 395.492 3.034 20 30 GGEDHM CCCCCCC[C@@H](C)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821049249 607335468 /nfs/dbraw/zinc/33/54/68/607335468.db2.gz JOLPRJLSRGLNDQ-CYBMUJFWSA-N -1 3 390.463 3.057 20 30 GGEDHM CCCCCCC[C@@H](C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821049249 607335469 /nfs/dbraw/zinc/33/54/69/607335469.db2.gz JOLPRJLSRGLNDQ-CYBMUJFWSA-N -1 3 390.463 3.057 20 30 GGEDHM CCCCCCCCCN(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821048933 607335776 /nfs/dbraw/zinc/33/57/76/607335776.db2.gz GUJOVXKMBYVCEF-UHFFFAOYSA-N -1 3 390.463 3.153 20 30 GGEDHM CCCCCCCCCN(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821048933 607335778 /nfs/dbraw/zinc/33/57/78/607335778.db2.gz GUJOVXKMBYVCEF-UHFFFAOYSA-N -1 3 390.463 3.153 20 30 GGEDHM N#CC1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000737677525 598268029 /nfs/dbraw/zinc/26/80/29/598268029.db2.gz DDHUODRBXAJRDB-UHFFFAOYSA-N -1 3 389.419 3.426 20 30 GGEDHM N#CC1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000737677525 598268030 /nfs/dbraw/zinc/26/80/30/598268030.db2.gz DDHUODRBXAJRDB-UHFFFAOYSA-N -1 3 389.419 3.426 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)csc1=Nc1cnn(CC)c1 ZINC000735443423 598293522 /nfs/dbraw/zinc/29/35/22/598293522.db2.gz UYGXHLYCDUDDKB-UHFFFAOYSA-N -1 3 378.465 3.032 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)csc1=Nc1cnn(CC)c1 ZINC000735443423 598293523 /nfs/dbraw/zinc/29/35/23/598293523.db2.gz UYGXHLYCDUDDKB-UHFFFAOYSA-N -1 3 378.465 3.032 20 30 GGEDHM FC(F)(F)c1cc(NN=Cc2c[nH]nc2-c2cccnc2)ccc1-c1nnn[n-]1 ZINC000737632151 598314533 /nfs/dbraw/zinc/31/45/33/598314533.db2.gz KSPODWZLOZIKQL-UHFFFAOYSA-N -1 3 399.340 3.117 20 30 GGEDHM FC(F)(F)c1cc(NN=Cc2c[nH]nc2-c2cccnc2)ccc1-c1nn[n-]n1 ZINC000737632151 598314536 /nfs/dbraw/zinc/31/45/36/598314536.db2.gz KSPODWZLOZIKQL-UHFFFAOYSA-N -1 3 399.340 3.117 20 30 GGEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1O ZINC000737044288 598315926 /nfs/dbraw/zinc/31/59/26/598315926.db2.gz OGPCRAPHZWRPDQ-UHFFFAOYSA-N -1 3 378.314 3.046 20 30 GGEDHM COc1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1O ZINC000737044288 598315925 /nfs/dbraw/zinc/31/59/25/598315925.db2.gz OGPCRAPHZWRPDQ-UHFFFAOYSA-N -1 3 378.314 3.046 20 30 GGEDHM N#CCCN(Cc1ccco1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737693167 598317801 /nfs/dbraw/zinc/31/78/01/598317801.db2.gz DIUGAQADTRWKDU-UHFFFAOYSA-N -1 3 387.856 3.226 20 30 GGEDHM N#CCCN(Cc1ccco1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737693167 598317802 /nfs/dbraw/zinc/31/78/02/598317802.db2.gz DIUGAQADTRWKDU-UHFFFAOYSA-N -1 3 387.856 3.226 20 30 GGEDHM N#CCOc1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737697015 598320849 /nfs/dbraw/zinc/32/08/49/598320849.db2.gz BQQFMHOCQDPZOZ-UHFFFAOYSA-N -1 3 385.840 3.231 20 30 GGEDHM N#CCOc1cccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737697015 598320851 /nfs/dbraw/zinc/32/08/51/598320851.db2.gz BQQFMHOCQDPZOZ-UHFFFAOYSA-N -1 3 385.840 3.231 20 30 GGEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735758242 598333977 /nfs/dbraw/zinc/33/39/77/598333977.db2.gz YMEXSGVVMBKVNQ-QGZVFWFLSA-N -1 3 390.447 3.114 20 30 GGEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735758242 598333979 /nfs/dbraw/zinc/33/39/79/598333979.db2.gz YMEXSGVVMBKVNQ-QGZVFWFLSA-N -1 3 390.447 3.114 20 30 GGEDHM Oc1ccc2ccccc2c1C=NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738400485 598440561 /nfs/dbraw/zinc/44/05/61/598440561.db2.gz JJVUDHIIXINHAG-OEAKJJBVSA-N -1 3 399.458 3.208 20 30 GGEDHM C=CCc1ccc(OCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000735442414 598487367 /nfs/dbraw/zinc/48/73/67/598487367.db2.gz AUIGMHPVCDEBCY-AWEZNQCLSA-N -1 3 394.431 3.287 20 30 GGEDHM C=CCc1ccc(OCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000735442414 598487368 /nfs/dbraw/zinc/48/73/68/598487368.db2.gz AUIGMHPVCDEBCY-AWEZNQCLSA-N -1 3 394.431 3.287 20 30 GGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735502484 598497127 /nfs/dbraw/zinc/49/71/27/598497127.db2.gz FITIKOUYHAPCDQ-CYBMUJFWSA-N -1 3 393.476 3.169 20 30 GGEDHM N#C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1cccc(Cl)c1Cl ZINC000737675191 598536553 /nfs/dbraw/zinc/53/65/53/598536553.db2.gz NQFAJNIDKOIUAP-SNVBAGLBSA-N -1 3 379.232 3.230 20 30 GGEDHM N#C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1cccc(Cl)c1Cl ZINC000737675191 598536555 /nfs/dbraw/zinc/53/65/55/598536555.db2.gz NQFAJNIDKOIUAP-SNVBAGLBSA-N -1 3 379.232 3.230 20 30 GGEDHM C=CCCOCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735417034 598541041 /nfs/dbraw/zinc/54/10/41/598541041.db2.gz XPSXBCMEEFPYNU-UHFFFAOYSA-N -1 3 393.447 3.285 20 30 GGEDHM C=CCCOCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000735417034 598541043 /nfs/dbraw/zinc/54/10/43/598541043.db2.gz XPSXBCMEEFPYNU-UHFFFAOYSA-N -1 3 393.447 3.285 20 30 GGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735419624 598625538 /nfs/dbraw/zinc/62/55/38/598625538.db2.gz YFBCKJCAYWHIRK-UHFFFAOYSA-N -1 3 382.399 3.235 20 30 GGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735419624 598625540 /nfs/dbraw/zinc/62/55/40/598625540.db2.gz YFBCKJCAYWHIRK-UHFFFAOYSA-N -1 3 382.399 3.235 20 30 GGEDHM Cc1c(C(=O)/C=C/c2c(Cl)nc3sccn23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202395 598639618 /nfs/dbraw/zinc/63/96/18/598639618.db2.gz LYBZLMILPJBCLF-SNAWJCMRSA-N -1 3 399.867 3.182 20 30 GGEDHM N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000520334784 598644267 /nfs/dbraw/zinc/64/42/67/598644267.db2.gz VJIUECNTZZSEEM-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000520334784 598644269 /nfs/dbraw/zinc/64/42/69/598644269.db2.gz VJIUECNTZZSEEM-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM CC(C)CN(CCC#N)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735827421 598684837 /nfs/dbraw/zinc/68/48/37/598684837.db2.gz MXKQXSCVTPTUCS-UHFFFAOYSA-N -1 3 391.435 3.066 20 30 GGEDHM CC(C)CN(CCC#N)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735827421 598684838 /nfs/dbraw/zinc/68/48/38/598684838.db2.gz MXKQXSCVTPTUCS-UHFFFAOYSA-N -1 3 391.435 3.066 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)C(=O)c1ccccc1 ZINC000735418827 598765078 /nfs/dbraw/zinc/76/50/78/598765078.db2.gz JPFBGIXOLADCIL-MRXNPFEDSA-N -1 3 389.459 3.290 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)C(=O)c1ccccc1 ZINC000735418827 598765079 /nfs/dbraw/zinc/76/50/79/598765079.db2.gz JPFBGIXOLADCIL-MRXNPFEDSA-N -1 3 389.459 3.290 20 30 GGEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc2ccccc2n1CC#N ZINC000735874848 598818334 /nfs/dbraw/zinc/81/83/34/598818334.db2.gz UYZDIXMGLGPHMQ-UHFFFAOYSA-N -1 3 399.458 3.396 20 30 GGEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc2ccccc2n1CC#N ZINC000735874848 598818337 /nfs/dbraw/zinc/81/83/37/598818337.db2.gz UYZDIXMGLGPHMQ-UHFFFAOYSA-N -1 3 399.458 3.396 20 30 GGEDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1cccc(C#N)c1 ZINC000820450605 599354275 /nfs/dbraw/zinc/35/42/75/599354275.db2.gz NMRWCJICBWFDRU-NSHDSACASA-N -1 3 386.375 3.368 20 30 GGEDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1cccc(C#N)c1 ZINC000820450605 599354278 /nfs/dbraw/zinc/35/42/78/599354278.db2.gz NMRWCJICBWFDRU-NSHDSACASA-N -1 3 386.375 3.368 20 30 GGEDHM C=CCOc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000819759399 599387887 /nfs/dbraw/zinc/38/78/87/599387887.db2.gz WIBHFAWVYOQBOU-UHFFFAOYSA-N -1 3 376.376 3.061 20 30 GGEDHM C=CCOc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000819759399 599387890 /nfs/dbraw/zinc/38/78/90/599387890.db2.gz WIBHFAWVYOQBOU-UHFFFAOYSA-N -1 3 376.376 3.061 20 30 GGEDHM CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820234785 607372988 /nfs/dbraw/zinc/37/29/88/607372988.db2.gz PLGWGVBHZUTICD-KRWDZBQOSA-N -1 3 399.499 3.122 20 30 GGEDHM CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820234785 607372990 /nfs/dbraw/zinc/37/29/90/607372990.db2.gz PLGWGVBHZUTICD-KRWDZBQOSA-N -1 3 399.499 3.122 20 30 GGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Br)cc1 ZINC000737807081 599459534 /nfs/dbraw/zinc/45/95/34/599459534.db2.gz NPDYZXYVZWXZIX-VOTSOKGWSA-N -1 3 395.220 3.173 20 30 GGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Br)cc1 ZINC000737807081 599459536 /nfs/dbraw/zinc/45/95/36/599459536.db2.gz NPDYZXYVZWXZIX-VOTSOKGWSA-N -1 3 395.220 3.173 20 30 GGEDHM COc1ccc(Cl)cc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737096929 599461183 /nfs/dbraw/zinc/46/11/83/599461183.db2.gz FSLVMBSUIGMSIF-PLNGDYQASA-N -1 3 380.795 3.073 20 30 GGEDHM COc1ccc(Cl)cc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737096929 599461184 /nfs/dbraw/zinc/46/11/84/599461184.db2.gz FSLVMBSUIGMSIF-PLNGDYQASA-N -1 3 380.795 3.073 20 30 GGEDHM CSc1ccc2c(c1)CCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000737189735 599462713 /nfs/dbraw/zinc/46/27/13/599462713.db2.gz BLBWONHOVCGHJI-JYRVWZFOSA-N -1 3 388.456 3.449 20 30 GGEDHM CSc1ccc2c(c1)CCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000737189735 599462714 /nfs/dbraw/zinc/46/27/14/599462714.db2.gz BLBWONHOVCGHJI-JYRVWZFOSA-N -1 3 388.456 3.449 20 30 GGEDHM C=CCOc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000819759131 599549415 /nfs/dbraw/zinc/54/94/15/599549415.db2.gz ORVROFMOROADLK-UHFFFAOYSA-N -1 3 394.385 3.292 20 30 GGEDHM C=CCOc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000819759131 599549416 /nfs/dbraw/zinc/54/94/16/599549416.db2.gz ORVROFMOROADLK-UHFFFAOYSA-N -1 3 394.385 3.292 20 30 GGEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000819701695 599549538 /nfs/dbraw/zinc/54/95/38/599549538.db2.gz LDFZFEWYYONEGI-UHFFFAOYSA-N -1 3 397.414 3.218 20 30 GGEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000819701695 599549540 /nfs/dbraw/zinc/54/95/40/599549540.db2.gz LDFZFEWYYONEGI-UHFFFAOYSA-N -1 3 397.414 3.218 20 30 GGEDHM CCN(C[C@@H](C)C#N)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736511655 599564549 /nfs/dbraw/zinc/56/45/49/599564549.db2.gz FUVJQLPOQZSHBU-AWEZNQCLSA-N -1 3 375.436 3.232 20 30 GGEDHM N#Cc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000822829904 599634141 /nfs/dbraw/zinc/63/41/41/599634141.db2.gz OPNYAEGBAUOKHL-VURMDHGXSA-N -1 3 384.321 3.409 20 30 GGEDHM N#Cc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000822829904 599634142 /nfs/dbraw/zinc/63/41/42/599634142.db2.gz OPNYAEGBAUOKHL-VURMDHGXSA-N -1 3 384.321 3.409 20 30 GGEDHM C#CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@@H]1CCc2ccccc21 ZINC000819702211 599635713 /nfs/dbraw/zinc/63/57/13/599635713.db2.gz UANUKBIYPMDHKL-LJQANCHMSA-N -1 3 397.442 3.039 20 30 GGEDHM C#CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@@H]1CCc2ccccc21 ZINC000819702211 599635714 /nfs/dbraw/zinc/63/57/14/599635714.db2.gz UANUKBIYPMDHKL-LJQANCHMSA-N -1 3 397.442 3.039 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000819743651 599677690 /nfs/dbraw/zinc/67/76/90/599677690.db2.gz NJDJTFDJYKPHBH-HNNXBMFYSA-N -1 3 394.479 3.487 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000819743651 599677691 /nfs/dbraw/zinc/67/76/91/599677691.db2.gz NJDJTFDJYKPHBH-HNNXBMFYSA-N -1 3 394.479 3.487 20 30 GGEDHM C=CCN(CC1CCCCC1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819740395 599677847 /nfs/dbraw/zinc/67/78/47/599677847.db2.gz ZAUDYUFRJCRIDJ-UHFFFAOYSA-N -1 3 384.484 3.023 20 30 GGEDHM C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819745568 599679981 /nfs/dbraw/zinc/67/99/81/599679981.db2.gz KDZSFHRRAJYMNF-CQSZACIVSA-N -1 3 380.427 3.465 20 30 GGEDHM C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819745568 599679982 /nfs/dbraw/zinc/67/99/82/599679982.db2.gz KDZSFHRRAJYMNF-CQSZACIVSA-N -1 3 380.427 3.465 20 30 GGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC000826243546 607399366 /nfs/dbraw/zinc/39/93/66/607399366.db2.gz MAQORQJGQIUGCB-SFHVURJKSA-N -1 3 396.410 3.290 20 30 GGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC000826243546 607399368 /nfs/dbraw/zinc/39/93/68/607399368.db2.gz MAQORQJGQIUGCB-SFHVURJKSA-N -1 3 396.410 3.290 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000736095033 599995682 /nfs/dbraw/zinc/99/56/82/599995682.db2.gz FRGFLIMMQOSLQV-UHFFFAOYSA-N -1 3 377.510 3.166 20 30 GGEDHM C[C@](NCc1ccc(OCC#N)cc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736664614 600080325 /nfs/dbraw/zinc/08/03/25/600080325.db2.gz PGICOIWOUNMQRL-GOSISDBHSA-N -1 3 389.249 3.441 20 30 GGEDHM C[C@@](NCc1ccc(OCC#N)cc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736664617 600080384 /nfs/dbraw/zinc/08/03/84/600080384.db2.gz PGICOIWOUNMQRL-SFHVURJKSA-N -1 3 389.249 3.441 20 30 GGEDHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OCC(F)(F)F ZINC000737886810 600594758 /nfs/dbraw/zinc/59/47/58/600594758.db2.gz PYWNDQATJCCCDQ-QGZVFWFLSA-N -1 3 394.349 3.423 20 30 GGEDHM CCOC(=O)c1[nH]c2c(c1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000821337201 607457772 /nfs/dbraw/zinc/45/77/72/607457772.db2.gz CTBFEPXIQKDSRY-WQLSENKSSA-N -1 3 395.394 3.032 20 30 GGEDHM CCOC(=O)c1[nH]c2c(c1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000821337201 607457773 /nfs/dbraw/zinc/45/77/73/607457773.db2.gz CTBFEPXIQKDSRY-WQLSENKSSA-N -1 3 395.394 3.032 20 30 GGEDHM CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000821346394 607457863 /nfs/dbraw/zinc/45/78/63/607457863.db2.gz HGJXEYPTQQBAKG-WQLSENKSSA-N -1 3 396.378 3.296 20 30 GGEDHM CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000821346394 607457864 /nfs/dbraw/zinc/45/78/64/607457864.db2.gz HGJXEYPTQQBAKG-WQLSENKSSA-N -1 3 396.378 3.296 20 30 GGEDHM Clc1ccccc1C#CCN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826353146 607495530 /nfs/dbraw/zinc/49/55/30/607495530.db2.gz CTOVLHSQGXGMQT-UHFFFAOYSA-N -1 3 393.878 3.415 20 30 GGEDHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1Br ZINC000832341922 601304371 /nfs/dbraw/zinc/30/43/71/601304371.db2.gz PWSHHYXDNFPSRR-INIZCTEOSA-N -1 3 375.222 3.245 20 30 GGEDHM COc1cc(CN(C)[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(F)F ZINC000831989840 601309569 /nfs/dbraw/zinc/30/95/69/601309569.db2.gz NVTJRHYTRXPHHC-KRWDZBQOSA-N -1 3 376.359 3.426 20 30 GGEDHM COc1cccc(OC)c1OC1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832568234 601311680 /nfs/dbraw/zinc/31/16/80/601311680.db2.gz ZXTONAKGDZFWEM-HXUWFJFHSA-N -1 3 396.443 3.245 20 30 GGEDHM CCc1oc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000830363256 601414299 /nfs/dbraw/zinc/41/42/99/601414299.db2.gz PNXBZEJYRUSYMO-UHFFFAOYSA-N -1 3 381.432 3.263 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(CCCC)c1C ZINC000823914655 607508626 /nfs/dbraw/zinc/50/86/26/607508626.db2.gz KUSZOHLVFAENNW-UHFFFAOYSA-N -1 3 394.483 3.392 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(CCCC)c1C ZINC000823914655 607508628 /nfs/dbraw/zinc/50/86/28/607508628.db2.gz KUSZOHLVFAENNW-UHFFFAOYSA-N -1 3 394.483 3.392 20 30 GGEDHM COCCN(CC#Cc1cccc(Cl)c1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826157570 607519783 /nfs/dbraw/zinc/51/97/83/607519783.db2.gz AZYSEKBMVAWGKI-UHFFFAOYSA-N -1 3 381.867 3.020 20 30 GGEDHM CN(CCC(=O)Nc1sccc1C#N)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727382 601901470 /nfs/dbraw/zinc/90/14/70/601901470.db2.gz RRBRWYQMGPMWGY-HNNXBMFYSA-N -1 3 397.378 3.123 20 30 GGEDHM N#CC(C(=O)Nc1ccccn1)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833062410 602033293 /nfs/dbraw/zinc/03/32/93/602033293.db2.gz BHLOIGVBSDKFNG-LBPRGKRZSA-N -1 3 392.293 3.151 20 30 GGEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826257090 607664533 /nfs/dbraw/zinc/66/45/33/607664533.db2.gz MZSJNPBNDAWVHH-UHFFFAOYSA-N -1 3 397.398 3.486 20 30 GGEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826257090 607664535 /nfs/dbraw/zinc/66/45/35/607664535.db2.gz MZSJNPBNDAWVHH-UHFFFAOYSA-N -1 3 397.398 3.486 20 30 GGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000826246050 607687572 /nfs/dbraw/zinc/68/75/72/607687572.db2.gz PRTPNXDHUHJTTA-OAHLLOKOSA-N -1 3 386.337 3.189 20 30 GGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000826246050 607687573 /nfs/dbraw/zinc/68/75/73/607687573.db2.gz PRTPNXDHUHJTTA-OAHLLOKOSA-N -1 3 386.337 3.189 20 30 GGEDHM C[C@@H](Oc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1)C(=O)[O-] ZINC000833538016 604566971 /nfs/dbraw/zinc/56/69/71/604566971.db2.gz BAHFTJAPEFRQDL-QGZVFWFLSA-N -1 3 379.460 3.122 20 30 GGEDHM N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)c2)cc1 ZINC000826382422 607701261 /nfs/dbraw/zinc/70/12/61/607701261.db2.gz DJHGOHLNHMPNOI-UHFFFAOYSA-N -1 3 399.414 3.092 20 30 GGEDHM N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c2)cc1 ZINC000826382422 607701262 /nfs/dbraw/zinc/70/12/62/607701262.db2.gz DJHGOHLNHMPNOI-UHFFFAOYSA-N -1 3 399.414 3.092 20 30 GGEDHM C[C@H](Oc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1)C(=O)[O-] ZINC000833537960 604633299 /nfs/dbraw/zinc/63/32/99/604633299.db2.gz AFEBUQAPXVZQQM-INIZCTEOSA-N -1 3 380.444 3.454 20 30 GGEDHM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833402131 604939619 /nfs/dbraw/zinc/93/96/19/604939619.db2.gz BRKCREJEULDVTD-HZPDHXFCSA-N -1 3 389.471 3.284 20 30 GGEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000833417768 604947572 /nfs/dbraw/zinc/94/75/72/604947572.db2.gz XIYJNJHBYIPAPN-OAHLLOKOSA-N -1 3 391.899 3.409 20 30 GGEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)c1ccc(OCC(=O)[O-])cc1 ZINC000833690661 605437522 /nfs/dbraw/zinc/43/75/22/605437522.db2.gz ACSVWRKSGNPDAR-HNNXBMFYSA-N -1 3 395.440 3.072 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000819745914 606125371 /nfs/dbraw/zinc/12/53/71/606125371.db2.gz UTCLECSVRYCNNJ-UHFFFAOYSA-N -1 3 398.810 3.257 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000819745914 606125372 /nfs/dbraw/zinc/12/53/72/606125372.db2.gz UTCLECSVRYCNNJ-UHFFFAOYSA-N -1 3 398.810 3.257 20 30 GGEDHM N#CC(CCOC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(c1ccccc1)c1ccccc1 ZINC000822802396 606231449 /nfs/dbraw/zinc/23/14/49/606231449.db2.gz ZZABPARZVFPHHI-UHFFFAOYSA-N -1 3 398.426 3.252 20 30 GGEDHM N#CC(CCOC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(c1ccccc1)c1ccccc1 ZINC000822802396 606231451 /nfs/dbraw/zinc/23/14/51/606231451.db2.gz ZZABPARZVFPHHI-UHFFFAOYSA-N -1 3 398.426 3.252 20 30 GGEDHM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820137344 606304931 /nfs/dbraw/zinc/30/49/31/606304931.db2.gz JQZZVHSJJXLCIW-FPLPWBNLSA-N -1 3 382.449 3.354 20 30 GGEDHM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820137344 606304933 /nfs/dbraw/zinc/30/49/33/606304933.db2.gz JQZZVHSJJXLCIW-FPLPWBNLSA-N -1 3 382.449 3.354 20 30 GGEDHM CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000821347512 606305422 /nfs/dbraw/zinc/30/54/22/606305422.db2.gz WMLSJVVUISTNTF-POHAHGRESA-N -1 3 384.417 3.219 20 30 GGEDHM CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CC2 ZINC000821347512 606305424 /nfs/dbraw/zinc/30/54/24/606305424.db2.gz WMLSJVVUISTNTF-POHAHGRESA-N -1 3 384.417 3.219 20 30 GGEDHM Cn1ccnc1COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822699196 606306047 /nfs/dbraw/zinc/30/60/47/606306047.db2.gz RUSWHRYHBSUDQN-SREVYHEPSA-N -1 3 392.444 3.137 20 30 GGEDHM Cn1ccnc1COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822699196 606306048 /nfs/dbraw/zinc/30/60/48/606306048.db2.gz RUSWHRYHBSUDQN-SREVYHEPSA-N -1 3 392.444 3.137 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)Oc1ccccc1F ZINC000819744110 606334883 /nfs/dbraw/zinc/33/48/83/606334883.db2.gz WSPJRLHUFXTYCM-SFHVURJKSA-N -1 3 395.438 3.378 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC)Oc1ccccc1F ZINC000819744110 606334885 /nfs/dbraw/zinc/33/48/85/606334885.db2.gz WSPJRLHUFXTYCM-SFHVURJKSA-N -1 3 395.438 3.378 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CC)Oc1ccccc1F ZINC000819744109 606335196 /nfs/dbraw/zinc/33/51/96/606335196.db2.gz WSPJRLHUFXTYCM-GOSISDBHSA-N -1 3 395.438 3.378 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CC)Oc1ccccc1F ZINC000819744109 606335198 /nfs/dbraw/zinc/33/51/98/606335198.db2.gz WSPJRLHUFXTYCM-GOSISDBHSA-N -1 3 395.438 3.378 20 30 GGEDHM N#Cc1ccccc1N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000822842601 606336589 /nfs/dbraw/zinc/33/65/89/606336589.db2.gz PSKHSOQJDLSVCP-AWNIVKPZSA-N -1 3 396.482 3.206 20 30 GGEDHM N#Cc1ccccc1N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000822842601 606336590 /nfs/dbraw/zinc/33/65/90/606336590.db2.gz PSKHSOQJDLSVCP-AWNIVKPZSA-N -1 3 396.482 3.206 20 30 GGEDHM COc1cc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1OC ZINC000821708466 606339518 /nfs/dbraw/zinc/33/95/18/606339518.db2.gz QKANWCLCLGUPRD-BQYQJAHWSA-N -1 3 393.447 3.145 20 30 GGEDHM COc1cc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1OC ZINC000821708466 606339520 /nfs/dbraw/zinc/33/95/20/606339520.db2.gz QKANWCLCLGUPRD-BQYQJAHWSA-N -1 3 393.447 3.145 20 30 GGEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000820487000 606355974 /nfs/dbraw/zinc/35/59/74/606355974.db2.gz DSDDUZOMTDVHAS-LIRRHRJNSA-N -1 3 391.431 3.446 20 30 GGEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000820487000 606355976 /nfs/dbraw/zinc/35/59/76/606355976.db2.gz DSDDUZOMTDVHAS-LIRRHRJNSA-N -1 3 391.431 3.446 20 30 GGEDHM Cc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)S2)c(C)c1 ZINC000822254541 606387688 /nfs/dbraw/zinc/38/76/88/606387688.db2.gz MQNVSAKDMFPRMK-RIYZIHGNSA-N -1 3 382.474 3.437 20 30 GGEDHM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820138619 606390263 /nfs/dbraw/zinc/39/02/63/606390263.db2.gz ZMVFGWSVECAQLO-VQHVLOKHSA-N -1 3 382.449 3.354 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)nnn1-c1ccc(C)cc1 ZINC000822224804 606390985 /nfs/dbraw/zinc/39/09/85/606390985.db2.gz ARVYGXQAJWFIIM-CLFYSBASSA-N -1 3 377.433 3.022 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(C#N)s2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822016360 606392189 /nfs/dbraw/zinc/39/21/89/606392189.db2.gz YMNFUOBFJIDRGM-HJWRWDBZSA-N -1 3 387.428 3.190 20 30 GGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822801864 606445522 /nfs/dbraw/zinc/44/55/22/606445522.db2.gz PTAZDYDIUXRBNJ-NRHNMFRMSA-N -1 3 384.443 3.178 20 30 GGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822801864 606445524 /nfs/dbraw/zinc/44/55/24/606445524.db2.gz PTAZDYDIUXRBNJ-NRHNMFRMSA-N -1 3 384.443 3.178 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820220340 606556124 /nfs/dbraw/zinc/55/61/24/606556124.db2.gz RMFKVVRHKVJQTD-CYBMUJFWSA-N -1 3 378.461 3.442 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820220340 606556125 /nfs/dbraw/zinc/55/61/25/606556125.db2.gz RMFKVVRHKVJQTD-CYBMUJFWSA-N -1 3 378.461 3.442 20 30 GGEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000822218104 606575291 /nfs/dbraw/zinc/57/52/91/606575291.db2.gz XGNBARXVGYGGIW-IEBWSBKVSA-N -1 3 387.447 3.479 20 30 GGEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000822218104 606575294 /nfs/dbraw/zinc/57/52/94/606575294.db2.gz XGNBARXVGYGGIW-IEBWSBKVSA-N -1 3 387.447 3.479 20 30 GGEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819899567 606640905 /nfs/dbraw/zinc/64/09/05/606640905.db2.gz XAMWROMEFJGIDC-QGZVFWFLSA-N -1 3 375.436 3.278 20 30 GGEDHM CCN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154247 606670451 /nfs/dbraw/zinc/67/04/51/606670451.db2.gz KWGNTPPIFNKBAO-NSHDSACASA-N -1 3 382.374 3.240 20 30 GGEDHM CCN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154247 606670452 /nfs/dbraw/zinc/67/04/52/606670452.db2.gz KWGNTPPIFNKBAO-NSHDSACASA-N -1 3 382.374 3.240 20 30 GGEDHM O=C1c2ccc(Br)cc2OC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823503363 606763938 /nfs/dbraw/zinc/76/39/38/606763938.db2.gz DWQJGXMIZFIASX-IZZDOVSWSA-N -1 3 375.207 3.307 20 30 GGEDHM C=C(C)COCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819722335 606805257 /nfs/dbraw/zinc/80/52/57/606805257.db2.gz HBHUSUXGCRMSGQ-UHFFFAOYSA-N -1 3 394.435 3.373 20 30 GGEDHM C=C(C)COCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819722335 606805259 /nfs/dbraw/zinc/80/52/59/606805259.db2.gz HBHUSUXGCRMSGQ-UHFFFAOYSA-N -1 3 394.435 3.373 20 30 GGEDHM N#Cc1ccc(OCCSCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822832761 606841657 /nfs/dbraw/zinc/84/16/57/606841657.db2.gz FXUFRCHKSSNKFC-UHFFFAOYSA-N -1 3 381.461 3.319 20 30 GGEDHM N#Cc1ccc(OCCSCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822832761 606841659 /nfs/dbraw/zinc/84/16/59/606841659.db2.gz FXUFRCHKSSNKFC-UHFFFAOYSA-N -1 3 381.461 3.319 20 30 GGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822801370 606906670 /nfs/dbraw/zinc/90/66/70/606906670.db2.gz HXUSEBGHTOCSOK-LEWJYISDSA-N -1 3 388.475 3.407 20 30 GGEDHM N#Cc1ccccc1N1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000822842334 606929882 /nfs/dbraw/zinc/92/98/82/606929882.db2.gz CPCJCXFXNYIADY-UHFFFAOYSA-N -1 3 399.380 3.084 20 30 GGEDHM N#Cc1ccccc1N1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000822842334 606929883 /nfs/dbraw/zinc/92/98/83/606929883.db2.gz CPCJCXFXNYIADY-UHFFFAOYSA-N -1 3 399.380 3.084 20 30 GGEDHM Cc1ccc(Br)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000822225112 606958010 /nfs/dbraw/zinc/95/80/10/606958010.db2.gz OUTPHEJKMYTXFL-UHFFFAOYSA-N -1 3 383.209 3.062 20 30 GGEDHM Cc1ccc(Br)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000822225112 606958011 /nfs/dbraw/zinc/95/80/11/606958011.db2.gz OUTPHEJKMYTXFL-UHFFFAOYSA-N -1 3 383.209 3.062 20 30 GGEDHM CN(C(=O)CSc1ccc(C#N)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570641 606959012 /nfs/dbraw/zinc/95/90/12/606959012.db2.gz FCOUYEHWRNEPLV-UHFFFAOYSA-N -1 3 384.852 3.147 20 30 GGEDHM CN(C(=O)CSc1ccc(C#N)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570641 606959014 /nfs/dbraw/zinc/95/90/14/606959014.db2.gz FCOUYEHWRNEPLV-UHFFFAOYSA-N -1 3 384.852 3.147 20 30 GGEDHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000820673992 607015095 /nfs/dbraw/zinc/01/50/95/607015095.db2.gz AIDJPRCRAMAGIU-SHYRYGCCSA-N -1 3 384.509 3.278 20 30 GGEDHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000820673992 607015097 /nfs/dbraw/zinc/01/50/97/607015097.db2.gz AIDJPRCRAMAGIU-SHYRYGCCSA-N -1 3 384.509 3.278 20 30 GGEDHM C=CCn1c(=O)c2ccccc2nc1SCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819766193 607037295 /nfs/dbraw/zinc/03/72/95/607037295.db2.gz VZRYPPIVJXVRLJ-UHFFFAOYSA-N -1 3 394.435 3.194 20 30 GGEDHM C=CCn1c(=O)c2ccccc2nc1SCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819766193 607037296 /nfs/dbraw/zinc/03/72/96/607037296.db2.gz VZRYPPIVJXVRLJ-UHFFFAOYSA-N -1 3 394.435 3.194 20 30 GGEDHM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000822922742 607171709 /nfs/dbraw/zinc/17/17/09/607171709.db2.gz IYSJMALSYZKBTM-HJWRWDBZSA-N -1 3 378.342 3.431 20 30 GGEDHM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000822922742 607171710 /nfs/dbraw/zinc/17/17/10/607171710.db2.gz IYSJMALSYZKBTM-HJWRWDBZSA-N -1 3 378.342 3.431 20 30 GGEDHM CC[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825080644 607785399 /nfs/dbraw/zinc/78/53/99/607785399.db2.gz BGQKJFPXGVCQSQ-ZDUSSCGKSA-N -1 3 376.420 3.269 20 30 GGEDHM CC[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825080644 607785400 /nfs/dbraw/zinc/78/54/00/607785400.db2.gz BGQKJFPXGVCQSQ-ZDUSSCGKSA-N -1 3 376.420 3.269 20 30 GGEDHM C#CCOc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000823856016 607878586 /nfs/dbraw/zinc/87/85/86/607878586.db2.gz GPJQPRIBQRSLGE-UHFFFAOYSA-N -1 3 381.823 3.199 20 30 GGEDHM C#CCOc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000823856016 607878587 /nfs/dbraw/zinc/87/85/87/607878587.db2.gz GPJQPRIBQRSLGE-UHFFFAOYSA-N -1 3 381.823 3.199 20 30 GGEDHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(C#N)c(Cl)c1 ZINC000825363386 607878730 /nfs/dbraw/zinc/87/87/30/607878730.db2.gz ZVBPNCZYVWDVCL-LBPRGKRZSA-N -1 3 396.838 3.212 20 30 GGEDHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(C#N)c(Cl)c1 ZINC000825363386 607878731 /nfs/dbraw/zinc/87/87/31/607878731.db2.gz ZVBPNCZYVWDVCL-LBPRGKRZSA-N -1 3 396.838 3.212 20 30 GGEDHM CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(C#N)c(Cl)c1 ZINC000825363383 607878751 /nfs/dbraw/zinc/87/87/51/607878751.db2.gz ZVBPNCZYVWDVCL-GFCCVEGCSA-N -1 3 396.838 3.212 20 30 GGEDHM CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(C#N)c(Cl)c1 ZINC000825363383 607878752 /nfs/dbraw/zinc/87/87/52/607878752.db2.gz ZVBPNCZYVWDVCL-GFCCVEGCSA-N -1 3 396.838 3.212 20 30 GGEDHM C=C(C)[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)OCC ZINC000823873098 607884571 /nfs/dbraw/zinc/88/45/71/607884571.db2.gz IIZKZSYCWCFSJX-HNNXBMFYSA-N -1 3 397.401 3.129 20 30 GGEDHM C=C(C)[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)OCC ZINC000823873098 607884572 /nfs/dbraw/zinc/88/45/72/607884572.db2.gz IIZKZSYCWCFSJX-HNNXBMFYSA-N -1 3 397.401 3.129 20 30 GGEDHM Cc1cccc(N=C2NC(=O)C(=Cc3ccc(F)c(-c4nnn[n-]4)c3)S2)c1 ZINC000826299641 607915726 /nfs/dbraw/zinc/91/57/26/607915726.db2.gz NYPCNYSALHAHBZ-OQLLNIDSSA-N -1 3 380.408 3.206 20 30 GGEDHM Cc1cccc(N=C2NC(=O)C(=Cc3ccc(F)c(-c4nn[n-]n4)c3)S2)c1 ZINC000826299641 607915727 /nfs/dbraw/zinc/91/57/27/607915727.db2.gz NYPCNYSALHAHBZ-OQLLNIDSSA-N -1 3 380.408 3.206 20 30 GGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000826400614 607916042 /nfs/dbraw/zinc/91/60/42/607916042.db2.gz CJIGKAMWUXDPIK-ONNFQVAWSA-N -1 3 377.379 3.029 20 30 GGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000826400614 607916043 /nfs/dbraw/zinc/91/60/43/607916043.db2.gz CJIGKAMWUXDPIK-ONNFQVAWSA-N -1 3 377.379 3.029 20 30 GGEDHM C#CCOCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823850298 607926073 /nfs/dbraw/zinc/92/60/73/607926073.db2.gz NFMNUAPLPQIGJO-UHFFFAOYSA-N -1 3 395.850 3.093 20 30 GGEDHM C#CCOCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823850298 607926074 /nfs/dbraw/zinc/92/60/74/607926074.db2.gz NFMNUAPLPQIGJO-UHFFFAOYSA-N -1 3 395.850 3.093 20 30 GGEDHM Cc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1Br ZINC000826296287 607962576 /nfs/dbraw/zinc/96/25/76/607962576.db2.gz QDDXQKLVIWMNHZ-UHFFFAOYSA-N -1 3 383.209 3.062 20 30 GGEDHM Cc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1Br ZINC000826296287 607962577 /nfs/dbraw/zinc/96/25/77/607962577.db2.gz QDDXQKLVIWMNHZ-UHFFFAOYSA-N -1 3 383.209 3.062 20 30 GGEDHM N#CCc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)cc1 ZINC000826381845 607972331 /nfs/dbraw/zinc/97/23/31/607972331.db2.gz BCZOILWASWPEFN-UHFFFAOYSA-N -1 3 397.398 3.372 20 30 GGEDHM N#CCc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)cc1 ZINC000826381845 607972332 /nfs/dbraw/zinc/97/23/32/607972332.db2.gz BCZOILWASWPEFN-UHFFFAOYSA-N -1 3 397.398 3.372 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000823914444 607979180 /nfs/dbraw/zinc/97/91/80/607979180.db2.gz IVMNCWSUSGKONM-UHFFFAOYSA-N -1 3 388.406 3.382 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000823914444 607979181 /nfs/dbraw/zinc/97/91/81/607979181.db2.gz IVMNCWSUSGKONM-UHFFFAOYSA-N -1 3 388.406 3.382 20 30 GGEDHM C=C[C@@H](CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823882805 607980658 /nfs/dbraw/zinc/98/06/58/607980658.db2.gz DKSPROVQEGHZNZ-CABCVRRESA-N -1 3 391.431 3.097 20 30 GGEDHM C=C[C@@H](CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823882805 607980659 /nfs/dbraw/zinc/98/06/59/607980659.db2.gz DKSPROVQEGHZNZ-CABCVRRESA-N -1 3 391.431 3.097 20 30 GGEDHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(CC#N)cc1 ZINC000825609353 608001535 /nfs/dbraw/zinc/00/15/35/608001535.db2.gz KOTLPVKSKNOGRY-UHFFFAOYSA-N -1 3 383.795 3.204 20 30 GGEDHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(CC#N)cc1 ZINC000825609353 608001536 /nfs/dbraw/zinc/00/15/36/608001536.db2.gz KOTLPVKSKNOGRY-UHFFFAOYSA-N -1 3 383.795 3.204 20 30 GGEDHM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CN(Cc3ccccc3)C(C)(C)C2)o1 ZINC000824352742 608054019 /nfs/dbraw/zinc/05/40/19/608054019.db2.gz LFNRFPODJXBZEW-UHFFFAOYSA-N -1 3 394.483 3.431 20 30 GGEDHM C#CCCCNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823841042 608058829 /nfs/dbraw/zinc/05/88/29/608058829.db2.gz IEQNQKHFXUMSOD-UHFFFAOYSA-N -1 3 381.823 3.456 20 30 GGEDHM C#CCCCNC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823841042 608058830 /nfs/dbraw/zinc/05/88/30/608058830.db2.gz IEQNQKHFXUMSOD-UHFFFAOYSA-N -1 3 381.823 3.456 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000823915428 608059673 /nfs/dbraw/zinc/05/96/73/608059673.db2.gz XVFPGNJUNCWNRW-HXUWFJFHSA-N -1 3 389.459 3.199 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000823915428 608059674 /nfs/dbraw/zinc/05/96/74/608059674.db2.gz XVFPGNJUNCWNRW-HXUWFJFHSA-N -1 3 389.459 3.199 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCC(F)(F)CC1 ZINC000823909982 608072206 /nfs/dbraw/zinc/07/22/06/608072206.db2.gz VDRXHALXRVLWEM-UHFFFAOYSA-N -1 3 376.411 3.142 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCC(F)(F)CC1 ZINC000823909982 608072207 /nfs/dbraw/zinc/07/22/07/608072207.db2.gz VDRXHALXRVLWEM-UHFFFAOYSA-N -1 3 376.411 3.142 20 30 GGEDHM C[C@@H](NC(=O)NCCCC#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824500145 608125861 /nfs/dbraw/zinc/12/58/61/608125861.db2.gz UIYKXQRNJLSYKF-CQSZACIVSA-N -1 3 375.436 3.198 20 30 GGEDHM C[C@@H](NC(=O)NCCCC#N)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824500145 608125862 /nfs/dbraw/zinc/12/58/62/608125862.db2.gz UIYKXQRNJLSYKF-CQSZACIVSA-N -1 3 375.436 3.198 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000824716029 608185435 /nfs/dbraw/zinc/18/54/35/608185435.db2.gz WGJVSZSKCDUKQN-AUUYWEPGSA-N -1 3 391.431 3.446 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000824716029 608185436 /nfs/dbraw/zinc/18/54/36/608185436.db2.gz WGJVSZSKCDUKQN-AUUYWEPGSA-N -1 3 391.431 3.446 20 30 GGEDHM Cn1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(-c2ccccc2)n1 ZINC000826360113 608213619 /nfs/dbraw/zinc/21/36/19/608213619.db2.gz YAQUWLGIQUQHIU-VBKFSLOCSA-N -1 3 382.427 3.480 20 30 GGEDHM Cn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(-c2ccccc2)n1 ZINC000826360113 608213620 /nfs/dbraw/zinc/21/36/20/608213620.db2.gz YAQUWLGIQUQHIU-VBKFSLOCSA-N -1 3 382.427 3.480 20 30 GGEDHM CC[C@@H](C#N)Oc1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000825038468 608287873 /nfs/dbraw/zinc/28/78/73/608287873.db2.gz CGVZCORTSDUQLU-INIZCTEOSA-N -1 3 389.463 3.434 20 30 GGEDHM CC[C@@H](C#N)Oc1cccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000825038468 608287875 /nfs/dbraw/zinc/28/78/75/608287875.db2.gz CGVZCORTSDUQLU-INIZCTEOSA-N -1 3 389.463 3.434 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccnc(SC)c1 ZINC000823909491 608476124 /nfs/dbraw/zinc/47/61/24/608476124.db2.gz GHTSBTNUYUCSJG-UHFFFAOYSA-N -1 3 381.465 3.204 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccnc(SC)c1 ZINC000823909491 608476125 /nfs/dbraw/zinc/47/61/25/608476125.db2.gz GHTSBTNUYUCSJG-UHFFFAOYSA-N -1 3 381.465 3.204 20 30 GGEDHM CCN(Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C[C@H](C)C#N ZINC000825435331 608598772 /nfs/dbraw/zinc/59/87/72/608598772.db2.gz UMOYPOAEQITFTN-MRXNPFEDSA-N -1 3 376.464 3.427 20 30 GGEDHM CCC[C@@H](C#N)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000825225046 608844400 /nfs/dbraw/zinc/84/44/00/608844400.db2.gz KETDWAITFPUHQR-ZDUSSCGKSA-N -1 3 378.461 3.440 20 30 GGEDHM CCC[C@@H](C#N)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000825225046 608844402 /nfs/dbraw/zinc/84/44/02/608844402.db2.gz KETDWAITFPUHQR-ZDUSSCGKSA-N -1 3 378.461 3.440 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(F)c(C#N)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826233934 608879093 /nfs/dbraw/zinc/87/90/93/608879093.db2.gz ALVCKBUMUYUDHU-OQFOIZHKSA-N -1 3 399.389 3.268 20 30 GGEDHM O=C(C=Cc1cnc(-c2ccncc2)s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826402933 609134412 /nfs/dbraw/zinc/13/44/12/609134412.db2.gz GFPOXQGECUCVOV-DUXPYHPUSA-N -1 3 378.392 3.420 20 30 GGEDHM O=C(C=Cc1cnc(-c2ccncc2)s1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826402933 609134413 /nfs/dbraw/zinc/13/44/13/609134413.db2.gz GFPOXQGECUCVOV-DUXPYHPUSA-N -1 3 378.392 3.420 20 30 GGEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824034341 609152565 /nfs/dbraw/zinc/15/25/65/609152565.db2.gz IPGZZISWIQUXIA-SNVBAGLBSA-N -1 3 383.799 3.455 20 30 GGEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824034341 609152566 /nfs/dbraw/zinc/15/25/66/609152566.db2.gz IPGZZISWIQUXIA-SNVBAGLBSA-N -1 3 383.799 3.455 20 30 GGEDHM N#CC1(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000826380257 609154754 /nfs/dbraw/zinc/15/47/54/609154754.db2.gz SMXGSXGOUAGLHD-UHFFFAOYSA-N -1 3 383.452 3.433 20 30 GGEDHM N#CC1(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000826380257 609154756 /nfs/dbraw/zinc/15/47/56/609154756.db2.gz SMXGSXGOUAGLHD-UHFFFAOYSA-N -1 3 383.452 3.433 20 30 GGEDHM N#Cc1cc2ccccc2nc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826384546 609167134 /nfs/dbraw/zinc/16/71/34/609167134.db2.gz ZNKLIRRUJXXNQE-UHFFFAOYSA-N -1 3 393.414 3.289 20 30 GGEDHM N#Cc1cc2ccccc2nc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826384546 609167135 /nfs/dbraw/zinc/16/71/35/609167135.db2.gz ZNKLIRRUJXXNQE-UHFFFAOYSA-N -1 3 393.414 3.289 20 30 GGEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1-c1cc(C)cc(C)c1 ZINC000826263428 609187844 /nfs/dbraw/zinc/18/78/44/609187844.db2.gz BAZQALXSZBNGGM-UHFFFAOYSA-N -1 3 398.430 3.102 20 30 GGEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1-c1cc(C)cc(C)c1 ZINC000826263428 609187846 /nfs/dbraw/zinc/18/78/46/609187846.db2.gz BAZQALXSZBNGGM-UHFFFAOYSA-N -1 3 398.430 3.102 20 30 GGEDHM O=C(C=Cc1cc(O)ccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400084 609272467 /nfs/dbraw/zinc/27/24/67/609272467.db2.gz OHXRDSARYHNUMO-QHHAFSJGSA-N -1 3 389.184 3.370 20 30 GGEDHM O=C(C=Cc1cc(O)ccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400084 609272469 /nfs/dbraw/zinc/27/24/69/609272469.db2.gz OHXRDSARYHNUMO-QHHAFSJGSA-N -1 3 389.184 3.370 20 30 GGEDHM COCCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826157299 609274325 /nfs/dbraw/zinc/27/43/25/609274325.db2.gz PXVRWFDNRWXVMR-RMKNXTFCSA-N -1 3 382.395 3.317 20 30 GGEDHM COCCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826157299 609274327 /nfs/dbraw/zinc/27/43/27/609274327.db2.gz PXVRWFDNRWXVMR-RMKNXTFCSA-N -1 3 382.395 3.317 20 30 GGEDHM Cn1cc(C=NNCc2ccccc2Cl)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360707 609304931 /nfs/dbraw/zinc/30/49/31/609304931.db2.gz VAAKYKJIZDMQRM-UHFFFAOYSA-N -1 3 392.854 3.044 20 30 GGEDHM Cn1cc(C=NNCc2ccccc2Cl)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360707 609304932 /nfs/dbraw/zinc/30/49/32/609304932.db2.gz VAAKYKJIZDMQRM-UHFFFAOYSA-N -1 3 392.854 3.044 20 30 GGEDHM Cn1cc(C=NNc2cccc3cnccc32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360654 609306553 /nfs/dbraw/zinc/30/65/53/609306553.db2.gz SMBCTJFBSKTEJI-UHFFFAOYSA-N -1 3 395.430 3.261 20 30 GGEDHM Cn1cc(C=NNc2cccc3cnccc32)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360654 609306556 /nfs/dbraw/zinc/30/65/56/609306556.db2.gz SMBCTJFBSKTEJI-UHFFFAOYSA-N -1 3 395.430 3.261 20 30 GGEDHM COc1ccc2c(c1)C(=O)C(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000826212472 609308914 /nfs/dbraw/zinc/30/89/14/609308914.db2.gz RKQYALVZEOMLSH-MHWRWJLKSA-N -1 3 398.426 3.098 20 30 GGEDHM COc1ccc2c(c1)C(=O)C(=Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000826212472 609308916 /nfs/dbraw/zinc/30/89/16/609308916.db2.gz RKQYALVZEOMLSH-MHWRWJLKSA-N -1 3 398.426 3.098 20 30 GGEDHM Fc1ccccc1C=NOCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826378654 609326686 /nfs/dbraw/zinc/32/66/86/609326686.db2.gz USWRLECFMUXVIU-UHFFFAOYSA-N -1 3 376.189 3.319 20 30 GGEDHM Fc1ccccc1C=NOCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826378654 609326688 /nfs/dbraw/zinc/32/66/88/609326688.db2.gz USWRLECFMUXVIU-UHFFFAOYSA-N -1 3 376.189 3.319 20 30 GGEDHM CN(Cc1ccc(C#N)cc1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825966164 609356202 /nfs/dbraw/zinc/35/62/02/609356202.db2.gz QWEANMUHTWCYCZ-UHFFFAOYSA-N -1 3 383.253 3.133 20 30 GGEDHM CN(Cc1ccc(C#N)cc1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825966164 609356204 /nfs/dbraw/zinc/35/62/04/609356204.db2.gz QWEANMUHTWCYCZ-UHFFFAOYSA-N -1 3 383.253 3.133 20 30 GGEDHM N#Cc1cc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)ccc1F ZINC000826383624 609447382 /nfs/dbraw/zinc/44/73/82/609447382.db2.gz JEBSADOXGCGEPR-UHFFFAOYSA-N -1 3 394.801 3.329 20 30 GGEDHM Cn1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(C2CCCCC2)n1 ZINC000826360376 609470483 /nfs/dbraw/zinc/47/04/83/609470483.db2.gz IIKCUYMMNWIDTQ-UHFFFAOYSA-N -1 3 385.863 3.142 20 30 GGEDHM Cn1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(C2CCCCC2)n1 ZINC000826360376 609470485 /nfs/dbraw/zinc/47/04/85/609470485.db2.gz IIKCUYMMNWIDTQ-UHFFFAOYSA-N -1 3 385.863 3.142 20 30 GGEDHM C#CCOc1ccccc1CNc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823861434 609489868 /nfs/dbraw/zinc/48/98/68/609489868.db2.gz IPEMMNIKBYQVDJ-UHFFFAOYSA-N -1 3 392.419 3.059 20 30 GGEDHM C#CCOc1ccccc1CNc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823861434 609489871 /nfs/dbraw/zinc/48/98/71/609489871.db2.gz IPEMMNIKBYQVDJ-UHFFFAOYSA-N -1 3 392.419 3.059 20 30 GGEDHM N#Cc1ccccc1-c1ccccc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742329 1406498625 /nfs/dbraw/zinc/49/86/25/1406498625.db2.gz HAHOCODMCJFOIH-UHFFFAOYSA-N -1 3 385.423 3.091 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1c(Cl)cccc1Cl ZINC000054197323 1406649271 /nfs/dbraw/zinc/64/92/71/1406649271.db2.gz VGHVGYVSIAKEOU-UHFFFAOYSA-N -1 3 392.286 3.462 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(COc2ccccc2)CC1 ZINC000055423973 1406958033 /nfs/dbraw/zinc/95/80/33/1406958033.db2.gz PWBHZNQXWIMPQR-UHFFFAOYSA-N -1 3 393.487 3.114 20 30 GGEDHM CCN(CC)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000006143697 1398534756 /nfs/dbraw/zinc/53/47/56/1398534756.db2.gz SDVRILWDQMJTSW-INIZCTEOSA-N -1 3 396.472 3.083 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(-c2ccccc2)on1 ZINC000007210127 1398630733 /nfs/dbraw/zinc/63/07/33/1398630733.db2.gz YQGQOTRQAVGTKQ-UHFFFAOYSA-N -1 3 377.400 3.194 20 30 GGEDHM C#Cc1cccc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000055455917 1406967883 /nfs/dbraw/zinc/96/78/83/1406967883.db2.gz MSTOGCPWWDRVKD-UHFFFAOYSA-N -1 3 397.283 3.282 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000055456716 1406967977 /nfs/dbraw/zinc/96/79/77/1406967977.db2.gz UNILCCYEFOURCC-KRWDZBQOSA-N -1 3 385.851 3.089 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000007674122 1398726117 /nfs/dbraw/zinc/72/61/17/1398726117.db2.gz GCMTXSCUDKCIFW-HNNXBMFYSA-N -1 3 392.455 3.099 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1ccc(C(C)C)cc1 ZINC000007674099 1398726275 /nfs/dbraw/zinc/72/62/75/1398726275.db2.gz MBIQRMRRXZQQPQ-UHFFFAOYSA-N -1 3 380.444 3.346 20 30 GGEDHM Cc1ccc(C(=O)[C@@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000007673985 1398726397 /nfs/dbraw/zinc/72/63/97/1398726397.db2.gz HIVIUKJEGXFPFW-MRXNPFEDSA-N -1 3 380.444 3.227 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000007674123 1398726408 /nfs/dbraw/zinc/72/64/08/1398726408.db2.gz GCMTXSCUDKCIFW-OAHLLOKOSA-N -1 3 392.455 3.099 20 30 GGEDHM CCOc1ccc(C(C)=O)cc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000007673929 1398726491 /nfs/dbraw/zinc/72/64/91/1398726491.db2.gz YDHXFTNTEAQWJY-UHFFFAOYSA-N -1 3 396.443 3.141 20 30 GGEDHM CCCc1ccc(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000007673906 1398726583 /nfs/dbraw/zinc/72/65/83/1398726583.db2.gz JMKBKAIHXUYAGS-UHFFFAOYSA-N -1 3 380.444 3.175 20 30 GGEDHM Cc1sc2[n-]c([C@H](C)OC(=O)COc3ccccc3C#N)nc(=O)c2c1C ZINC000008011700 1398791762 /nfs/dbraw/zinc/79/17/62/1398791762.db2.gz SSKACNARCZJCRO-NSHDSACASA-N -1 3 383.429 3.156 20 30 GGEDHM O=C1Nc2ccc([N+](=O)[O-])cc2C1=N[N-]c1ncc(C(F)(F)F)cc1Cl ZINC000008084168 1398801437 /nfs/dbraw/zinc/80/14/37/1398801437.db2.gz QQNUIWBXXQUGFS-UHFFFAOYSA-N -1 3 385.689 3.430 20 30 GGEDHM C=CCOC(=O)c1sc2[n-]c(Cc3nc4ccccc4[nH]3)nc(=O)c2c1C ZINC000055502820 1406983821 /nfs/dbraw/zinc/98/38/21/1406983821.db2.gz MQDCUHNRAXZLHT-UHFFFAOYSA-N -1 3 380.429 3.103 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1ccc2ccccc2c1 ZINC000010996555 1398941213 /nfs/dbraw/zinc/94/12/13/1398941213.db2.gz UQDNJLOJJKTNLV-UHFFFAOYSA-N -1 3 389.455 3.144 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000012398313 1399041298 /nfs/dbraw/zinc/04/12/98/1399041298.db2.gz MKNRZXBPMGWQIB-UHFFFAOYSA-N -1 3 381.520 3.471 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(Br)c1 ZINC000017224064 1399275911 /nfs/dbraw/zinc/27/59/11/1399275911.db2.gz JHFBZXYJMMKABM-UHFFFAOYSA-N -1 3 389.249 3.302 20 30 GGEDHM O=C1Nc2cc3c(cc2C1=N[N-]c1ncc(Cl)cc1Cl)OCCCO3 ZINC000017417460 1399282541 /nfs/dbraw/zinc/28/25/41/1399282541.db2.gz HCBWLLFXBOOWOK-UHFFFAOYSA-N -1 3 379.203 3.318 20 30 GGEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000055595687 1407018825 /nfs/dbraw/zinc/01/88/25/1407018825.db2.gz YEGXJWQCBMXRMP-UHFFFAOYSA-N -1 3 386.351 3.309 20 30 GGEDHM CCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1OCC ZINC000020008163 1399340552 /nfs/dbraw/zinc/34/05/52/1399340552.db2.gz WHSZEDAQVRPBND-UHFFFAOYSA-N -1 3 383.448 3.232 20 30 GGEDHM C=CCc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc(OC)c1OC ZINC000024892499 1399687469 /nfs/dbraw/zinc/68/74/69/1399687469.db2.gz FIHGIRUXFPPFGD-UHFFFAOYSA-N -1 3 390.461 3.056 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCC)cc2C)ccc1F ZINC000055806088 1407086409 /nfs/dbraw/zinc/08/64/09/1407086409.db2.gz HAFGOCOISFAVIX-UHFFFAOYSA-N -1 3 392.452 3.249 20 30 GGEDHM Cc1ccccc1OCCCN(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000055870641 1407111607 /nfs/dbraw/zinc/11/16/07/1407111607.db2.gz SKACJDSTEUZBRK-UHFFFAOYSA-N -1 3 381.476 3.032 20 30 GGEDHM CC(=O)Nc1ccc(Cl)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000055902574 1407126755 /nfs/dbraw/zinc/12/67/55/1407126755.db2.gz HZSDIJJKUCLCJG-UHFFFAOYSA-N -1 3 386.839 3.047 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(OCC(C)C)c1 ZINC000056434817 1407328311 /nfs/dbraw/zinc/32/83/11/1407328311.db2.gz IBFGVIHHGPQHPL-UHFFFAOYSA-N -1 3 381.476 3.147 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1ccc(C(C)C)cc1 ZINC000044738471 1403992581 /nfs/dbraw/zinc/99/25/81/1403992581.db2.gz BAWWMPVUKFQHMH-UHFFFAOYSA-N -1 3 381.476 3.115 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC=C)Cc2cccs2)ccc1F ZINC000045335343 1404100247 /nfs/dbraw/zinc/10/02/47/1404100247.db2.gz OHZPEGWFPJFATJ-UHFFFAOYSA-N -1 3 394.493 3.180 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)ccc1F ZINC000045341538 1404101968 /nfs/dbraw/zinc/10/19/68/1404101968.db2.gz ANZOYDNGZGNYMY-ZDUSSCGKSA-N -1 3 394.443 3.262 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(Cc2cccs2)C2CC2)ccc1F ZINC000045361983 1404107365 /nfs/dbraw/zinc/10/73/65/1404107365.db2.gz JDVKEVXFYRTZCR-UHFFFAOYSA-N -1 3 394.493 3.156 20 30 GGEDHM CCN(CC)S(=O)(=O)c1cc(C([O-])=C(C#N)c2ccccn2)ccc1Cl ZINC000046439729 1404415733 /nfs/dbraw/zinc/41/57/33/1404415733.db2.gz KISPFPUOWXAHFO-CQSZACIVSA-N -1 3 391.880 3.256 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3[nH]c(C)cc3c2)ccc1F ZINC000046694244 1404555402 /nfs/dbraw/zinc/55/54/02/1404555402.db2.gz PNHKRYGAEFEDFW-UHFFFAOYSA-N -1 3 387.436 3.332 20 30 GGEDHM N#Cc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000047297168 1404793304 /nfs/dbraw/zinc/79/33/04/1404793304.db2.gz NAUTWIHTGWJRTJ-UHFFFAOYSA-N -1 3 384.392 3.079 20 30 GGEDHM C[C@@H]([N-]C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1F ZINC000048832109 1405301334 /nfs/dbraw/zinc/30/13/34/1405301334.db2.gz NTKMRNINLWFDCP-RXMQYKEDSA-N -1 3 394.246 3.476 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(S(=O)(=O)C3CCCC3)cc2)nc(C)n1 ZINC000051898163 1405882546 /nfs/dbraw/zinc/88/25/46/1405882546.db2.gz BNWMZLCVRDDKPG-SFHVURJKSA-N -1 3 383.473 3.300 20 30 GGEDHM CC(C)c1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c([O-])c1 ZINC000052677196 1406115695 /nfs/dbraw/zinc/11/56/95/1406115695.db2.gz QYTOSXXPXOGKEW-UHFFFAOYSA-N -1 3 380.448 3.215 20 30 GGEDHM N#Cc1c([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)sc2c1CCCC2 ZINC000060554066 1408001053 /nfs/dbraw/zinc/00/10/53/1408001053.db2.gz WMCIGJDQVKDOHE-UHFFFAOYSA-N -1 3 385.401 3.430 20 30 GGEDHM COc1ccc([C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(C)C)cc1 ZINC000061211146 1408091282 /nfs/dbraw/zinc/09/12/82/1408091282.db2.gz LWMZBBRGAOZSPM-OAQYLSRUSA-N -1 3 381.476 3.318 20 30 GGEDHM [O-]C(=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NC1=NCCS1 ZINC000064419938 1408550597 /nfs/dbraw/zinc/55/05/97/1408550597.db2.gz APYPWEHPPPLOPM-UHFFFAOYSA-N -1 3 380.448 3.440 20 30 GGEDHM Cc1ccc(-c2nsc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)s1 ZINC000066413191 1408833582 /nfs/dbraw/zinc/83/35/82/1408833582.db2.gz SSTUSPPFFFOPSG-UHFFFAOYSA-N -1 3 399.501 3.323 20 30 GGEDHM CCCN1Cc2cccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2C1 ZINC000066514836 1408851530 /nfs/dbraw/zinc/85/15/30/1408851530.db2.gz GNONETZYOILSMG-UHFFFAOYSA-N -1 3 378.476 3.160 20 30 GGEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000066800188 1408917886 /nfs/dbraw/zinc/91/78/86/1408917886.db2.gz VURYQVDJXPGWSC-NSHDSACASA-N -1 3 382.445 3.482 20 30 GGEDHM C=CCN(CC=C)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000067182286 1409034862 /nfs/dbraw/zinc/03/48/62/1409034862.db2.gz RPBHXYBWOHOQNR-HKWRFOASSA-N -1 3 387.439 3.224 20 30 GGEDHM C=C(C)COc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000067319038 1409071304 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/nfs/dbraw/zinc/40/19/17/1410401917.db2.gz XVZKFKIQFHMPHC-UHFFFAOYSA-N -1 3 376.453 3.183 20 30 GGEDHM Cc1c([O-])ccc2c(CN3CCN(c4ccccc4C#N)CC3)cc(=O)oc12 ZINC000101554822 1410461671 /nfs/dbraw/zinc/46/16/71/1410461671.db2.gz WHSRGYRPNUQMMZ-UHFFFAOYSA-N -1 3 375.428 3.001 20 30 GGEDHM COCCCOc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000102116744 1410565214 /nfs/dbraw/zinc/56/52/14/1410565214.db2.gz JQCHVWIYPWZAOY-AWEZNQCLSA-N -1 3 379.338 3.401 20 30 GGEDHM COCCCOc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000102116749 1410565285 /nfs/dbraw/zinc/56/52/85/1410565285.db2.gz JQCHVWIYPWZAOY-CQSZACIVSA-N -1 3 379.338 3.401 20 30 GGEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000102120429 1410566236 /nfs/dbraw/zinc/56/62/36/1410566236.db2.gz MKEPUVSATGVKJJ-LLVKDONJSA-N -1 3 391.742 3.357 20 30 GGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C#N)ccc1F ZINC000102831470 1410790322 /nfs/dbraw/zinc/79/03/22/1410790322.db2.gz UUNBNEVWGIJYPJ-UHFFFAOYSA-N -1 3 375.425 3.026 20 30 GGEDHM COC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)n(-c2ccccc2)n1 ZINC000103329192 1410849114 /nfs/dbraw/zinc/84/91/14/1410849114.db2.gz DODFJXAWULAGMR-HNNXBMFYSA-N -1 3 399.410 3.036 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3c(s2)CCOC3)cc1Cl ZINC000103330306 1410849229 /nfs/dbraw/zinc/84/92/29/1410849229.db2.gz YSKFAKYVFZCGJX-LBPRGKRZSA-N -1 3 390.848 3.444 20 30 GGEDHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CN(C)CC#N)nc(=O)c12 ZINC000103472777 1410861543 /nfs/dbraw/zinc/86/15/43/1410861543.db2.gz ZJOMYHAUBDEAPE-UHFFFAOYSA-N -1 3 395.488 3.118 20 30 GGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000105356263 1411058191 /nfs/dbraw/zinc/05/81/91/1411058191.db2.gz FPRIEVOKUFPCPF-WCRSTISQSA-N -1 3 386.192 3.292 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000105715703 1411111188 /nfs/dbraw/zinc/11/11/88/1411111188.db2.gz CNGPOHSSTKERAE-UHFFFAOYSA-N -1 3 394.475 3.419 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)Cc2cccs2)ccc1F ZINC000105922673 1411129801 /nfs/dbraw/zinc/12/98/01/1411129801.db2.gz WDJXKFJVOSBMLE-UHFFFAOYSA-N -1 3 382.482 3.014 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CSC)c2)ccc1F ZINC000109233553 1411722256 /nfs/dbraw/zinc/72/22/56/1411722256.db2.gz WFCFEBBUOZBSCL-UHFFFAOYSA-N -1 3 394.493 3.405 20 30 GGEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1cccc(C#N)c1 ZINC000109244829 1411724785 /nfs/dbraw/zinc/72/47/85/1411724785.db2.gz AXSXZAHMSXKOGH-UHFFFAOYSA-N -1 3 386.454 3.038 20 30 GGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1 ZINC000109423145 1411759070 /nfs/dbraw/zinc/75/90/70/1411759070.db2.gz MRILYELSVWEOGY-UHFFFAOYSA-N -1 3 399.516 3.394 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccccc3OC)no2)ccc1F ZINC000109454559 1411767634 /nfs/dbraw/zinc/76/76/34/1411767634.db2.gz DUXYAZAWOWXASQ-UHFFFAOYSA-N -1 3 389.408 3.016 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000110025331 1411825922 /nfs/dbraw/zinc/82/59/22/1411825922.db2.gz UGDZRPLDYZEKQC-AOSWFRPUSA-N -1 3 393.487 3.173 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(-n2cccc2)ccc1F ZINC000110139066 1411833581 /nfs/dbraw/zinc/83/35/81/1411833581.db2.gz SKKSNWQHYUBOGX-UHFFFAOYSA-N -1 3 378.407 3.365 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(CCc3ccccc3)no2)ccc1F ZINC000113747527 1412339639 /nfs/dbraw/zinc/33/96/39/1412339639.db2.gz KLYYPRRLHUDBIZ-UHFFFAOYSA-N -1 3 387.436 3.125 20 30 GGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000114850186 1412541450 /nfs/dbraw/zinc/54/14/50/1412541450.db2.gz QNGOUPGTOIUZSJ-MRXNPFEDSA-N -1 3 385.489 3.061 20 30 GGEDHM Cc1ccnc(-c2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2)n1 ZINC000115130389 1412593469 /nfs/dbraw/zinc/59/34/69/1412593469.db2.gz REZAXSCRDVHVIY-UHFFFAOYSA-N -1 3 387.443 3.200 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000115239784 1412618800 /nfs/dbraw/zinc/61/88/00/1412618800.db2.gz NZHHSDUZGAWGSE-UHFFFAOYSA-N -1 3 381.451 3.374 20 30 GGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000116774038 1412920384 /nfs/dbraw/zinc/92/03/84/1412920384.db2.gz GEACMAOKNSLXHF-UHFFFAOYSA-N -1 3 379.460 3.131 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000117822774 1413080832 /nfs/dbraw/zinc/08/08/32/1413080832.db2.gz VBOSSMDZPLPXQF-OAQYLSRUSA-N -1 3 392.503 3.226 20 30 GGEDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000118296646 1413145361 /nfs/dbraw/zinc/14/53/61/1413145361.db2.gz GLZIPBLHEBJLLR-UHFFFAOYSA-N -1 3 389.795 3.272 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000118625968 1413199433 /nfs/dbraw/zinc/19/94/33/1413199433.db2.gz XFVQIYFTBIPTBT-UHFFFAOYSA-N -1 3 377.448 3.365 20 30 GGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1 ZINC000119534163 1413478395 /nfs/dbraw/zinc/47/83/95/1413478395.db2.gz QHCCPTGZCBFTEJ-MRXNPFEDSA-N -1 3 398.406 3.184 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(-c2cccc(F)c2)n1 ZINC000119910866 1413613880 /nfs/dbraw/zinc/61/38/80/1413613880.db2.gz OHPXOCWRWMURMH-MRXNPFEDSA-N -1 3 392.390 3.371 20 30 GGEDHM CCc1nc(C)c([C@@H](C)N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000119937362 1413623919 /nfs/dbraw/zinc/62/39/19/1413623919.db2.gz MCCQCYODRMWDJQ-CQSZACIVSA-N -1 3 386.521 3.343 20 30 GGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3Cl)c2)c1 ZINC000120455170 1413821626 /nfs/dbraw/zinc/82/16/26/1413821626.db2.gz RCNLOLPAHOJUMH-MRXNPFEDSA-N -1 3 394.818 3.495 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000120579881 1413847798 /nfs/dbraw/zinc/84/77/98/1413847798.db2.gz XEPWCYSSOFXVSE-QFIPXVFZSA-N -1 3 386.455 3.097 20 30 GGEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccn1 ZINC000121240510 1414055142 /nfs/dbraw/zinc/05/51/42/1414055142.db2.gz QEUUNAMSZBERHB-FQEVSTJZSA-N -1 3 397.431 3.169 20 30 GGEDHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000121274661 1414068031 /nfs/dbraw/zinc/06/80/31/1414068031.db2.gz OUTJBPBELINRKI-UHFFFAOYSA-N -1 3 391.880 3.158 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000121364974 1414095656 /nfs/dbraw/zinc/09/56/56/1414095656.db2.gz IRPGRBZAVKICHD-UHFFFAOYSA-N -1 3 385.414 3.270 20 30 GGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(F)cc(C#N)cc3F)c2)n1 ZINC000121731781 1414239226 /nfs/dbraw/zinc/23/92/26/1414239226.db2.gz DCEBTCNCPIXGSD-UHFFFAOYSA-N -1 3 380.354 3.401 20 30 GGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(Br)c(Cl)c1 ZINC000122122185 1414368001 /nfs/dbraw/zinc/36/80/01/1414368001.db2.gz JPFCXLJFZMUQJD-SNVBAGLBSA-N -1 3 378.613 3.459 20 30 GGEDHM CC[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000122188872 1414383463 /nfs/dbraw/zinc/38/34/63/1414383463.db2.gz CPSMALYJFWVMSD-ZDUSSCGKSA-N -1 3 376.409 3.394 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000122441984 1414461277 /nfs/dbraw/zinc/46/12/77/1414461277.db2.gz ZOUWPDUTOHAMHN-UHFFFAOYSA-N -1 3 389.415 3.017 20 30 GGEDHM Cc1ccc(-n2nc(CCCNC(=O)c3ccc(C)cc3[O-])c(C#N)c2N)cc1 ZINC000122845878 1414579221 /nfs/dbraw/zinc/57/92/21/1414579221.db2.gz AMFWZWCWELTEGF-UHFFFAOYSA-N -1 3 389.459 3.011 20 30 GGEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000122882773 1414588339 /nfs/dbraw/zinc/58/83/39/1414588339.db2.gz ZXPLWXDTPBHGOV-UYAOXDASSA-N -1 3 397.438 3.319 20 30 GGEDHM CC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000123603909 1414791608 /nfs/dbraw/zinc/79/16/08/1414791608.db2.gz PAEJWSHYOUGCOV-LLVKDONJSA-N -1 3 395.843 3.312 20 30 GGEDHM Cc1ccc(-c2ncco2)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000124329800 1414940866 /nfs/dbraw/zinc/94/08/66/1414940866.db2.gz DYRXNUVHLNQWNO-UHFFFAOYSA-N -1 3 376.416 3.398 20 30 GGEDHM Cc1ccc(-n2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c3c2CCC3)cc1 ZINC000125234295 1415135674 /nfs/dbraw/zinc/13/56/74/1415135674.db2.gz NPTXYGKEBITSTM-QGZVFWFLSA-N -1 3 385.427 3.026 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000126465154 1415460852 /nfs/dbraw/zinc/46/08/52/1415460852.db2.gz STSIWJGJEXXBBJ-UYAOXDASSA-N -1 3 397.519 3.327 20 30 GGEDHM CC[C@@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)Oc1cccc(C)c1 ZINC000178033520 1428947248 /nfs/dbraw/zinc/94/72/48/1428947248.db2.gz IVMLVIFHLMFXIN-KRWDZBQOSA-N -1 3 381.476 3.078 20 30 GGEDHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC#N)c2)cc1 ZINC000126894739 1415597852 /nfs/dbraw/zinc/59/78/52/1415597852.db2.gz REJAJXCIAOVMJR-UHFFFAOYSA-N -1 3 385.489 3.392 20 30 GGEDHM CC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000127517365 1415803995 /nfs/dbraw/zinc/80/39/95/1415803995.db2.gz FYABJLRBPBCBKC-SFHVURJKSA-N -1 3 375.425 3.049 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2Cl)n1 ZINC000127664786 1415829362 /nfs/dbraw/zinc/82/93/62/1415829362.db2.gz KQRNCQRYXJWZSZ-ZDUSSCGKSA-N -1 3 394.818 3.495 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3Cl)n2)cc1 ZINC000127673185 1415830317 /nfs/dbraw/zinc/83/03/17/1415830317.db2.gz OIGNGWMTBAZSHL-HNNXBMFYSA-N -1 3 394.818 3.495 20 30 GGEDHM C#CCNC(=O)[C@@H](C)S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000128570823 1416016461 /nfs/dbraw/zinc/01/64/61/1416016461.db2.gz VKWRSEVWVSSFTF-WDEREUQCSA-N -1 3 387.486 3.177 20 30 GGEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cnn(-c2ccccc2)n1 ZINC000128783565 1416067920 /nfs/dbraw/zinc/06/79/20/1416067920.db2.gz YGGLAAJECSOEST-SFHVURJKSA-N -1 3 381.395 3.382 20 30 GGEDHM N#Cc1cnc2c(F)ccc(Cl)c2c1NCCNC(=O)c1ccc([O-])cc1 ZINC000178362354 1429061607 /nfs/dbraw/zinc/06/16/07/1429061607.db2.gz AZBWRFFOMJJVAG-UHFFFAOYSA-N -1 3 384.798 3.446 20 30 GGEDHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)c2ccccn2)c1 ZINC000129891734 1416281039 /nfs/dbraw/zinc/28/10/39/1416281039.db2.gz ZSRQVOJVVIDTHV-HXUWFJFHSA-N -1 3 381.432 3.469 20 30 GGEDHM Cc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1-c1ccccc1F ZINC000129916633 1416284803 /nfs/dbraw/zinc/28/48/03/1416284803.db2.gz LBYHJAIPHJGXSA-UHFFFAOYSA-N -1 3 393.422 3.068 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2C)c1C ZINC000129979234 1416294984 /nfs/dbraw/zinc/29/49/84/1416294984.db2.gz SAVPUQVYIHBFPC-MRXNPFEDSA-N -1 3 388.427 3.459 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000130004007 1416300941 /nfs/dbraw/zinc/30/09/41/1416300941.db2.gz JEJGPOSNVSYKEZ-AWEZNQCLSA-N -1 3 380.448 3.485 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3)n2)cc1Cl ZINC000130368667 1416365903 /nfs/dbraw/zinc/36/59/03/1416365903.db2.gz DDHPDNDSTYYVJH-HNNXBMFYSA-N -1 3 394.818 3.495 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3)n2)cc1Cl ZINC000130368849 1416366026 /nfs/dbraw/zinc/36/60/26/1416366026.db2.gz DDHPDNDSTYYVJH-OAHLLOKOSA-N -1 3 394.818 3.495 20 30 GGEDHM Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1-c1ncco1 ZINC000130499926 1416388802 /nfs/dbraw/zinc/38/88/02/1416388802.db2.gz LBDLPMIPYXZSRA-UHFFFAOYSA-N -1 3 376.416 3.398 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000131810645 1416626882 /nfs/dbraw/zinc/62/68/82/1416626882.db2.gz AKPVTWXLJVHXET-SFHVURJKSA-N -1 3 394.818 3.495 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2)nc1C ZINC000132621586 1416794804 /nfs/dbraw/zinc/79/48/04/1416794804.db2.gz VUJVHIZKPYYEAU-MRXNPFEDSA-N -1 3 386.411 3.422 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000132882716 1416826809 /nfs/dbraw/zinc/82/68/09/1416826809.db2.gz RNFWHMZIOVMABH-UHFFFAOYSA-N -1 3 383.423 3.363 20 30 GGEDHM N#CCOc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000178678397 1429137854 /nfs/dbraw/zinc/13/78/54/1429137854.db2.gz VCQPUIRTZZGUNU-UHFFFAOYSA-N -1 3 390.237 3.056 20 30 GGEDHM CCOc1cc(/C=C2/CCc3[nH]c(=O)ccc3C2=O)cc(Br)c1[O-] ZINC000133302702 1416876582 /nfs/dbraw/zinc/87/65/82/1416876582.db2.gz UWMGKQFDSSWZLO-XFFZJAGNSA-N -1 3 390.233 3.454 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1OCC(C)C ZINC000133360611 1416882487 /nfs/dbraw/zinc/88/24/87/1416882487.db2.gz YXDHXXDNJGNYBQ-UHFFFAOYSA-N -1 3 381.476 3.147 20 30 GGEDHM CS(=O)(=O)Cc1ccccc1C/N=C/c1cc(Br)ccc1[O-] ZINC000178703808 1429147066 /nfs/dbraw/zinc/14/70/66/1429147066.db2.gz RKWKEKBITXMHRA-VCHYOVAHSA-N -1 3 382.279 3.318 20 30 GGEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000134855036 1417134695 /nfs/dbraw/zinc/13/46/95/1417134695.db2.gz CQSHHDVNCSYDQL-UHFFFAOYSA-N -1 3 389.496 3.242 20 30 GGEDHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)CCO1 ZINC000135326263 1417207490 /nfs/dbraw/zinc/20/74/90/1417207490.db2.gz UORFNZVDZOQOLQ-CYBMUJFWSA-N -1 3 391.880 3.238 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(C)n3C)n2)cc1 ZINC000136682393 1417338457 /nfs/dbraw/zinc/33/84/57/1417338457.db2.gz AWQCDDDPUKIYGH-HNNXBMFYSA-N -1 3 394.456 3.427 20 30 GGEDHM CCOc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc(OCC)c1OCC ZINC000138991128 1417444540 /nfs/dbraw/zinc/44/45/40/1417444540.db2.gz ZSRYTQINUVTKBI-HNNXBMFYSA-N -1 3 397.431 3.239 20 30 GGEDHM CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1cccc(C#N)c1 ZINC000149365754 1417775694 /nfs/dbraw/zinc/77/56/94/1417775694.db2.gz JROSTCUPIMXPOK-UHFFFAOYSA-N -1 3 398.419 3.103 20 30 GGEDHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1 ZINC000150972978 1417846620 /nfs/dbraw/zinc/84/66/20/1417846620.db2.gz GIZUHISMGUINCX-UHFFFAOYSA-N -1 3 389.440 3.492 20 30 GGEDHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000152161519 1418161445 /nfs/dbraw/zinc/16/14/45/1418161445.db2.gz DMUXQBOBDAHEEE-GOSISDBHSA-N -1 3 386.473 3.061 20 30 GGEDHM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000152218179 1418175981 /nfs/dbraw/zinc/17/59/81/1418175981.db2.gz WKNFSAXDFGQXLU-GOSISDBHSA-N -1 3 392.503 3.053 20 30 GGEDHM C[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)CN1Cc1ccccc1 ZINC000820643235 1429245119 /nfs/dbraw/zinc/24/51/19/1429245119.db2.gz SKCITCBETMTJJT-CYBMUJFWSA-N -1 3 394.483 3.215 20 30 GGEDHM C[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)CN1Cc1ccccc1 ZINC000820643235 1429245123 /nfs/dbraw/zinc/24/51/23/1429245123.db2.gz SKCITCBETMTJJT-CYBMUJFWSA-N -1 3 394.483 3.215 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C ZINC000152835107 1422266124 /nfs/dbraw/zinc/26/61/24/1422266124.db2.gz PZLCIZVTZVCBSS-WOJBJXKFSA-N -1 3 387.524 3.286 20 30 GGEDHM CN(C)c1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000154009252 1422825024 /nfs/dbraw/zinc/82/50/24/1422825024.db2.gz RLGGZUHVAGKSLH-UHFFFAOYSA-N -1 3 380.267 3.188 20 30 GGEDHM COc1cc(C#N)ccc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000154547214 1422919936 /nfs/dbraw/zinc/91/99/36/1422919936.db2.gz ZQLRORFHMLAIAH-UHFFFAOYSA-N -1 3 389.440 3.281 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000155259016 1423281471 /nfs/dbraw/zinc/28/14/71/1423281471.db2.gz WSUORXFZGBQRNM-MRXNPFEDSA-N -1 3 392.503 3.274 20 30 GGEDHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000155725633 1423505295 /nfs/dbraw/zinc/50/52/95/1423505295.db2.gz HTOAUDYWFUCUNP-IBGZPJMESA-N -1 3 395.507 3.280 20 30 GGEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000179949447 1429658375 /nfs/dbraw/zinc/65/83/75/1429658375.db2.gz WCNHRRUBCPNKAG-UHFFFAOYSA-N -1 3 388.199 3.279 20 30 GGEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000179949447 1429658386 /nfs/dbraw/zinc/65/83/86/1429658386.db2.gz WCNHRRUBCPNKAG-UHFFFAOYSA-N -1 3 388.199 3.279 20 30 GGEDHM C=C(C)Cn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1ccncc1 ZINC000156566365 1423829527 /nfs/dbraw/zinc/82/95/27/1423829527.db2.gz FVDCGDWDAYHDST-UHFFFAOYSA-N -1 3 385.415 3.077 20 30 GGEDHM CCOc1ccccc1[C@@H](CC)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000156604415 1423835000 /nfs/dbraw/zinc/83/50/00/1423835000.db2.gz FNAQFMBDCTVLRO-LJQANCHMSA-N -1 3 381.476 3.462 20 30 GGEDHM CC(C)CCn1cc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)nn1 ZINC000158726235 1424328167 /nfs/dbraw/zinc/32/81/67/1424328167.db2.gz LNUWSVWJCWFYGI-QGZVFWFLSA-N -1 3 375.432 3.439 20 30 GGEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ccc([O-])c(F)c3)C2)c(F)c1 ZINC000159533646 1424510978 /nfs/dbraw/zinc/51/09/78/1424510978.db2.gz RTMFXBYPUVMDAI-OAHLLOKOSA-N -1 3 386.402 3.010 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](c1ccccn1)C(F)(F)F ZINC000159959758 1424557220 /nfs/dbraw/zinc/55/72/20/1424557220.db2.gz LKTCULGYXVMBGA-MRXNPFEDSA-N -1 3 379.338 3.038 20 30 GGEDHM Cc1cnc(NCc2ccc(C#N)cc2)nc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822394527 1424765000 /nfs/dbraw/zinc/76/50/00/1424765000.db2.gz CLROROOMNONJBZ-UHFFFAOYSA-N -1 3 397.446 3.061 20 30 GGEDHM CC(C)(C#N)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000180140056 1429754931 /nfs/dbraw/zinc/75/49/31/1429754931.db2.gz WITLBQAYIWHICK-UHFFFAOYSA-N -1 3 376.409 3.333 20 30 GGEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)c1 ZINC000162200913 1424825826 /nfs/dbraw/zinc/82/58/26/1424825826.db2.gz FKBNWRQCVIYCKP-QGZVFWFLSA-N -1 3 387.461 3.363 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(ccc(F)c2C)s1 ZINC000164737388 1425139189 /nfs/dbraw/zinc/13/91/89/1425139189.db2.gz OOGFUSYFSOBNPK-UHFFFAOYSA-N -1 3 384.436 3.492 20 30 GGEDHM N#CC(=C([O-])c1cccc2c1OCC(=O)N2)c1nc2ccccc2n1C(F)F ZINC000171567391 1425738906 /nfs/dbraw/zinc/73/89/06/1425738906.db2.gz KRWCLPPCDAKQQG-LLVKDONJSA-N -1 3 382.326 3.252 20 30 GGEDHM Cc1nc(-c2cnn(C)c2)sc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000172185969 1425938393 /nfs/dbraw/zinc/93/83/93/1425938393.db2.gz AARVYVSGLAYREN-AWEZNQCLSA-N -1 3 399.863 3.467 20 30 GGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000172675171 1426138157 /nfs/dbraw/zinc/13/81/57/1426138157.db2.gz DENPHJBJSJPNRZ-MRXNPFEDSA-N -1 3 385.489 3.061 20 30 GGEDHM C#CCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000172929977 1426269704 /nfs/dbraw/zinc/26/97/04/1426269704.db2.gz UGZFLXNPRRAZFE-UHFFFAOYSA-N -1 3 394.855 3.423 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](Cc1ccc(F)cc1)C(C)C ZINC000173103100 1426343245 /nfs/dbraw/zinc/34/32/45/1426343245.db2.gz MCGQFZRQRCKLGG-HXUWFJFHSA-N -1 3 383.467 3.319 20 30 GGEDHM C=CCc1cc(CN(CC=C)Cc2cccc(-c3nn[n-]n3)c2)c(O)c(OC)c1 ZINC000823937352 1426411602 /nfs/dbraw/zinc/41/16/02/1426411602.db2.gz TWVSTJUYYAXTCL-UHFFFAOYSA-N -1 3 391.475 3.498 20 30 GGEDHM C=CCc1cc(CN(CC=C)Cc2cccc(-c3nnn[n-]3)c2)c(O)c(OC)c1 ZINC000823937352 1426411605 /nfs/dbraw/zinc/41/16/05/1426411605.db2.gz TWVSTJUYYAXTCL-UHFFFAOYSA-N -1 3 391.475 3.498 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000173656440 1426811874 /nfs/dbraw/zinc/81/18/74/1426811874.db2.gz REBHEABLVIXOJW-LBPRGKRZSA-N -1 3 387.867 3.033 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000173656424 1426811917 /nfs/dbraw/zinc/81/19/17/1426811917.db2.gz REBHEABLVIXOJW-GFCCVEGCSA-N -1 3 387.867 3.033 20 30 GGEDHM CCN(C(=O)CCNC(=O)c1ccc(C)cc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000173826094 1426861662 /nfs/dbraw/zinc/86/16/62/1426861662.db2.gz BPMAYXSPZWNALX-INIZCTEOSA-N -1 3 379.460 3.302 20 30 GGEDHM CC(C)c1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1F ZINC000173965326 1426913854 /nfs/dbraw/zinc/91/38/54/1426913854.db2.gz HQIWRMALCKZQDM-OAHLLOKOSA-N -1 3 391.406 3.491 20 30 GGEDHM CC(C)CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1F ZINC000174011404 1426942244 /nfs/dbraw/zinc/94/22/44/1426942244.db2.gz OPZVNGZWSMUFBB-AWEZNQCLSA-N -1 3 382.395 3.166 20 30 GGEDHM C=CCN(CCOCc1ccc(OC)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735418396 1427075660 /nfs/dbraw/zinc/07/56/60/1427075660.db2.gz CTMLHQBLEOPKAH-UHFFFAOYSA-N -1 3 379.464 3.080 20 30 GGEDHM C=CCN(CCOCc1ccc(OC)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735418396 1427075664 /nfs/dbraw/zinc/07/56/64/1427075664.db2.gz CTMLHQBLEOPKAH-UHFFFAOYSA-N -1 3 379.464 3.080 20 30 GGEDHM Cc1ccccc1[C@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@H](C)CO1 ZINC000174418833 1427149601 /nfs/dbraw/zinc/14/96/01/1427149601.db2.gz KWSJGGVRTHWQKZ-QVKFZJNVSA-N -1 3 393.487 3.093 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000174948186 1427460642 /nfs/dbraw/zinc/46/06/42/1427460642.db2.gz OUPVACJKQUETGN-GFCCVEGCSA-N -1 3 375.831 3.466 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(F)cc(C(C)=O)c1O ZINC000819745877 1427727016 /nfs/dbraw/zinc/72/70/16/1427727016.db2.gz SOJBPEMJXFIFNE-UHFFFAOYSA-N -1 3 381.411 3.102 20 30 GGEDHM CCCCO[C@H]1C[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C ZINC000175695379 1427861421 /nfs/dbraw/zinc/86/14/21/1427861421.db2.gz FTDLMDIXTOJMCA-OALUTQOASA-N -1 3 387.524 3.238 20 30 GGEDHM N#Cc1ccc(CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000175768450 1427885365 /nfs/dbraw/zinc/88/53/65/1427885365.db2.gz YFWMSTJSZNAOCK-UHFFFAOYSA-N -1 3 397.862 3.337 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000176181355 1428145340 /nfs/dbraw/zinc/14/53/40/1428145340.db2.gz SUZMFGGJHUEVTK-XUSGNXJCSA-N -1 3 381.451 3.375 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000176181328 1428145363 /nfs/dbraw/zinc/14/53/63/1428145363.db2.gz SUZMFGGJHUEVTK-LAJNKCICSA-N -1 3 381.451 3.375 20 30 GGEDHM C=C(C)COc1cc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000823877883 1430239975 /nfs/dbraw/zinc/23/99/75/1430239975.db2.gz JWDFDICCZHCZOD-UHFFFAOYSA-N -1 3 379.464 3.462 20 30 GGEDHM C=C(C)COc1cc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000823877883 1430239979 /nfs/dbraw/zinc/23/99/79/1430239979.db2.gz JWDFDICCZHCZOD-UHFFFAOYSA-N -1 3 379.464 3.462 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000182022568 1430398238 /nfs/dbraw/zinc/39/82/38/1430398238.db2.gz NYCVONZBECUFLX-SFHVURJKSA-N -1 3 399.878 3.480 20 30 GGEDHM N#CC1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000183519464 1430733838 /nfs/dbraw/zinc/73/38/38/1430733838.db2.gz VDPSDUNTDXZZOW-FQEVSTJZSA-N -1 3 377.444 3.016 20 30 GGEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC3(C#N)CCCCC3)cs2)c1 ZINC000183526664 1430734959 /nfs/dbraw/zinc/73/49/59/1430734959.db2.gz SWOCCGZVYRMVNW-UHFFFAOYSA-N -1 3 398.488 3.295 20 30 GGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCC2(C#N)CCCC2)ccc1F ZINC000183841889 1430803701 /nfs/dbraw/zinc/80/37/01/1430803701.db2.gz UHCCRXAYVXXIIN-UHFFFAOYSA-N -1 3 382.457 3.143 20 30 GGEDHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(C#N)CCC(C(C)(C)C)CC1 ZINC000184235691 1430860270 /nfs/dbraw/zinc/86/02/70/1430860270.db2.gz DOQAZGROMZIMSY-UHFFFAOYSA-N -1 3 396.484 3.389 20 30 GGEDHM CC1CCN(c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cn2)CC1 ZINC000185258459 1431095478 /nfs/dbraw/zinc/09/54/78/1431095478.db2.gz VFPRRYFQPOLLKL-KRWDZBQOSA-N -1 3 378.480 3.126 20 30 GGEDHM C=CCC[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000186410151 1431407757 /nfs/dbraw/zinc/40/77/57/1431407757.db2.gz LWOKMTJTARCXEI-LJQANCHMSA-N -1 3 378.472 3.427 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCCCc1ccc(F)cc1 ZINC000186911945 1431562917 /nfs/dbraw/zinc/56/29/17/1431562917.db2.gz MEQWOVFDTIMRJJ-UHFFFAOYSA-N -1 3 383.467 3.464 20 30 GGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2)c1 ZINC000187102413 1431616003 /nfs/dbraw/zinc/61/60/03/1431616003.db2.gz BFFXMQFNIJUTLV-UHFFFAOYSA-N -1 3 385.489 3.354 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000187750277 1431808075 /nfs/dbraw/zinc/80/80/75/1431808075.db2.gz DVXUGVDXVGPYBA-MOPGFXCFSA-N -1 3 377.488 3.324 20 30 GGEDHM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000187793692 1431812971 /nfs/dbraw/zinc/81/29/71/1431812971.db2.gz WHYRYFSLUCJVEK-HNNXBMFYSA-N -1 3 396.466 3.036 20 30 GGEDHM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000187793674 1431813067 /nfs/dbraw/zinc/81/30/67/1431813067.db2.gz WHYRYFSLUCJVEK-OAHLLOKOSA-N -1 3 396.466 3.036 20 30 GGEDHM COc1ccccc1[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)N1CCCCC1 ZINC000190777030 1432475467 /nfs/dbraw/zinc/47/54/67/1432475467.db2.gz VIJSHHAKQBWRGV-LJQANCHMSA-N -1 3 379.460 3.229 20 30 GGEDHM COc1ccccc1[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)N1CCCCC1 ZINC000190777050 1432475502 /nfs/dbraw/zinc/47/55/02/1432475502.db2.gz VIJSHHAKQBWRGV-IBGZPJMESA-N -1 3 379.460 3.229 20 30 GGEDHM N#CC(=C([O-])c1ccc(Cl)c(N2CCNC2=O)c1)c1cnc2ccccc2n1 ZINC000190993712 1432545441 /nfs/dbraw/zinc/54/54/41/1432545441.db2.gz JAMTZSNAECRLPW-ZDUSSCGKSA-N -1 3 391.818 3.303 20 30 GGEDHM Cc1nc2c(cnn2C(C)C)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000193261181 1432969669 /nfs/dbraw/zinc/96/96/69/1432969669.db2.gz NALVIZJVFXMGFK-MRXNPFEDSA-N -1 3 377.452 3.129 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1csc2ccccc12 ZINC000193535818 1433016219 /nfs/dbraw/zinc/01/62/19/1433016219.db2.gz PNCSPVNENVNQKK-UHFFFAOYSA-N -1 3 379.485 3.370 20 30 GGEDHM COc1ccc(-n2ccc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000193609128 1433028316 /nfs/dbraw/zinc/02/83/16/1433028316.db2.gz ULJLUVBBMQVJHL-QGZVFWFLSA-N -1 3 394.818 3.495 20 30 GGEDHM CS(=O)(=O)Cc1cccc(C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000194613919 1433205599 /nfs/dbraw/zinc/20/55/99/1433205599.db2.gz KYMUYDYMWRCCFV-VCHYOVAHSA-N -1 3 382.279 3.318 20 30 GGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N(CC#N)c2ccccc2)ccc1F ZINC000195119509 1433294914 /nfs/dbraw/zinc/29/49/14/1433294914.db2.gz UELZCOJQQBMSRO-UHFFFAOYSA-N -1 3 389.452 3.073 20 30 GGEDHM C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000248754614 1433820186 /nfs/dbraw/zinc/82/01/86/1433820186.db2.gz IROVDCJGEOQYPZ-CRAIPNDOSA-N -1 3 383.473 3.135 20 30 GGEDHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C([O-])=C(C#N)c3ccccn3)c2)C1 ZINC000249523361 1433846127 /nfs/dbraw/zinc/84/61/27/1433846127.db2.gz PSICLSKWIMTNHQ-JTDSTZFVSA-N -1 3 397.500 3.238 20 30 GGEDHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C([O-])=C(C#N)c3ccccn3)cc2)C1 ZINC000249523805 1433846321 /nfs/dbraw/zinc/84/63/21/1433846321.db2.gz QOLAIBYEFYLRRJ-JTDSTZFVSA-N -1 3 397.500 3.238 20 30 GGEDHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(CC)C[C@H](C)C#N)nc(=O)c2c1C ZINC000253556066 1433869368 /nfs/dbraw/zinc/86/93/68/1433869368.db2.gz JPYHZHOPWZUQGD-ZYHUDNBSSA-N -1 3 376.482 3.425 20 30 GGEDHM Cc1ncc(CO)c(C=NNC(=S)Nc2ccc(Cl)c(Cl)c2)c1[O-] ZINC000254482344 1433871337 /nfs/dbraw/zinc/87/13/37/1433871337.db2.gz IWDXXTGTBGEVLM-UHFFFAOYSA-N -1 3 385.276 3.215 20 30 GGEDHM Cc1cc(S(N)(=O)=O)cc(N=Cc2cc(Br)ccc2[O-])c1C ZINC000255575673 1433885661 /nfs/dbraw/zinc/88/56/61/1433885661.db2.gz VGQXKVPSYFDOBQ-UHFFFAOYSA-N -1 3 383.267 3.170 20 30 GGEDHM O=S1(=O)CCCN1c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255711928 1433888208 /nfs/dbraw/zinc/88/82/08/1433888208.db2.gz NURKHODRBQCJQZ-UHFFFAOYSA-N -1 3 395.278 3.445 20 30 GGEDHM [O-]c1c(O)ccc(C=Nc2cc(F)c(F)cc2I)c1O ZINC000255720565 1433888491 /nfs/dbraw/zinc/88/84/91/1433888491.db2.gz LXRLGLLASNRIKI-UHFFFAOYSA-N -1 3 391.111 3.437 20 30 GGEDHM COc1cc(OC)cc([C@@H](O)C/N=C\c2cc(Br)ccc2[O-])c1 ZINC000255840407 1433890030 /nfs/dbraw/zinc/89/00/30/1433890030.db2.gz CRMRATCXYLUIBQ-DUPIZPNJSA-N -1 3 380.238 3.324 20 30 GGEDHM Cc1[nH]c2ccccc2c1CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000263782029 1434033285 /nfs/dbraw/zinc/03/32/85/1434033285.db2.gz HCZUTFNEWDFLMR-UHFFFAOYSA-N -1 3 376.460 3.357 20 30 GGEDHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCCCCC#N)c2)c1 ZINC000264147080 1434075755 /nfs/dbraw/zinc/07/57/55/1434075755.db2.gz POPWJAGRNVDOAX-UHFFFAOYSA-N -1 3 397.431 3.085 20 30 GGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000264572366 1434129629 /nfs/dbraw/zinc/12/96/29/1434129629.db2.gz VHWTZZFFTTXNNB-AWEZNQCLSA-N -1 3 398.488 3.195 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1[O-] ZINC000265110682 1434185952 /nfs/dbraw/zinc/18/59/52/1434185952.db2.gz WZMZCIQVNHNRKL-GNIOVPSRSA-N -1 3 395.381 3.184 20 30 GGEDHM N#Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)C[C@H]3CCCCO3)c2)c1 ZINC000265843584 1434271394 /nfs/dbraw/zinc/27/13/94/1434271394.db2.gz DUUKGELRLPAMIA-LJQANCHMSA-N -1 3 399.472 3.121 20 30 GGEDHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1 ZINC000266021826 1434297164 /nfs/dbraw/zinc/29/71/64/1434297164.db2.gz KKAWFQWUGSSPME-UHFFFAOYSA-N -1 3 390.461 3.198 20 30 GGEDHM CO[C@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(Cl)cc1 ZINC000266141914 1434306390 /nfs/dbraw/zinc/30/63/90/1434306390.db2.gz UKQKFIONLCFEAQ-GOSISDBHSA-N -1 3 387.867 3.366 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1[O-] ZINC000266329960 1434321242 /nfs/dbraw/zinc/32/12/42/1434321242.db2.gz KAVLZDFPCKZSDG-CJEGQJQSSA-N -1 3 391.418 3.277 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)c1[O-] ZINC000269056600 1434586578 /nfs/dbraw/zinc/58/65/78/1434586578.db2.gz XTNNOQOVHFHKMC-AFEQLLIESA-N -1 3 382.460 3.104 20 30 GGEDHM CCN(CCC#N)C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000270883927 1434785076 /nfs/dbraw/zinc/78/50/76/1434785076.db2.gz LSHINRXDLUWNLW-UHFFFAOYSA-N -1 3 397.431 3.037 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000271510094 1434830634 /nfs/dbraw/zinc/83/06/34/1434830634.db2.gz ITZKTOPQTWSPQY-UHFFFAOYSA-N -1 3 381.451 3.487 20 30 GGEDHM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000271517500 1434831219 /nfs/dbraw/zinc/83/12/19/1434831219.db2.gz MFOBAFISKLYFHA-XOBRGWDASA-N -1 3 385.439 3.240 20 30 GGEDHM COc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)cc1[N-]S(C)(=O)=O ZINC000272130761 1434874018 /nfs/dbraw/zinc/87/40/18/1434874018.db2.gz UUBNNPCTAYRCLP-CYBMUJFWSA-N -1 3 375.450 3.142 20 30 GGEDHM C=CCN(CCc1ccco1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000272267461 1434882834 /nfs/dbraw/zinc/88/28/34/1434882834.db2.gz KVKSCBCPQPIJJV-UHFFFAOYSA-N -1 3 387.461 3.316 20 30 GGEDHM CCn1c2cc(F)ccc2nc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000272274092 1434883434 /nfs/dbraw/zinc/88/34/34/1434883434.db2.gz LVUWCQNSPVKPFK-UHFFFAOYSA-N -1 3 381.411 3.356 20 30 GGEDHM CC(C)(C)[C@@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272725908 1434926251 /nfs/dbraw/zinc/92/62/51/1434926251.db2.gz IPKMZTMLVWOUCI-RTBURBONSA-N -1 3 379.460 3.308 20 30 GGEDHM CC(C)(C)[C@H](C#N)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272725902 1434926256 /nfs/dbraw/zinc/92/62/56/1434926256.db2.gz IPKMZTMLVWOUCI-OALUTQOASA-N -1 3 379.460 3.308 20 30 GGEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000272740537 1434927486 /nfs/dbraw/zinc/92/74/86/1434927486.db2.gz MASFHVJMBAOAKQ-MRXNPFEDSA-N -1 3 399.513 3.367 20 30 GGEDHM N#Cc1c(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)nc2ccccn21 ZINC000272795273 1434931711 /nfs/dbraw/zinc/93/17/11/1434931711.db2.gz DBJGTDLNOXWIQL-UHFFFAOYSA-N -1 3 395.850 3.420 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273317963 1434980367 /nfs/dbraw/zinc/98/03/67/1434980367.db2.gz RKISOWBKSQQEMK-XLIONFOSSA-N -1 3 397.450 3.384 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cccnc2N2CCCC2)no1 ZINC000273866662 1435023462 /nfs/dbraw/zinc/02/34/62/1435023462.db2.gz FIHSLAJDHYTUOH-UHFFFAOYSA-N -1 3 390.447 3.106 20 30 GGEDHM N#Cc1cccc(NC(=O)c2cccc(NC([O-])=NO[C@@H]3CCCCO3)c2)c1 ZINC000274260726 1435055729 /nfs/dbraw/zinc/05/57/29/1435055729.db2.gz YGTQTWOFDFDZJA-GOSISDBHSA-N -1 3 380.404 3.390 20 30 GGEDHM N#Cc1cccc(NC(=O)c2cccc(NC(=O)[N-]O[C@@H]3CCCCO3)c2)c1 ZINC000274260726 1435055731 /nfs/dbraw/zinc/05/57/31/1435055731.db2.gz YGTQTWOFDFDZJA-GOSISDBHSA-N -1 3 380.404 3.390 20 30 GGEDHM CCc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c([O-])c1 ZINC000276246602 1435199879 /nfs/dbraw/zinc/19/98/79/1435199879.db2.gz RDKQMHFOXUCZJZ-UHFFFAOYSA-N -1 3 377.444 3.317 20 30 GGEDHM C=CCC[C@@H](C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)c1ccccc1 ZINC000277794008 1435331129 /nfs/dbraw/zinc/33/11/29/1435331129.db2.gz SUWIGHZUQVCNED-GOSISDBHSA-N -1 3 396.491 3.437 20 30 GGEDHM C=CCC[C@@H](C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)c1ccccc1 ZINC000277794008 1435331131 /nfs/dbraw/zinc/33/11/31/1435331131.db2.gz SUWIGHZUQVCNED-GOSISDBHSA-N -1 3 396.491 3.437 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1[O-] ZINC000278237128 1435372253 /nfs/dbraw/zinc/37/22/53/1435372253.db2.gz KZJWCWORZRSJKQ-MMXTWKRJSA-N -1 3 377.485 3.090 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1[O-] ZINC000278237123 1435372323 /nfs/dbraw/zinc/37/23/23/1435372323.db2.gz KZJWCWORZRSJKQ-KQFRHJRUSA-N -1 3 377.485 3.090 20 30 GGEDHM CCNC(=O)Nc1ccc(C)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000278508441 1435395955 /nfs/dbraw/zinc/39/59/55/1435395955.db2.gz OOVACUSDVCLUIO-UHFFFAOYSA-N -1 3 395.463 3.297 20 30 GGEDHM Cc1cccc(OCCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000278523099 1435397081 /nfs/dbraw/zinc/39/70/81/1435397081.db2.gz QOMVHBMCBXJZIP-UHFFFAOYSA-N -1 3 381.476 3.410 20 30 GGEDHM COC(=O)c1cnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)[n-]1 ZINC000278592898 1435403349 /nfs/dbraw/zinc/40/33/49/1435403349.db2.gz HCLKUWASBVGIBB-LLVKDONJSA-N -1 3 390.490 3.321 20 30 GGEDHM Cc1oc(C#N)cc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000281349405 1435804930 /nfs/dbraw/zinc/80/49/30/1435804930.db2.gz RNBJGHBPFZHFBE-UHFFFAOYSA-N -1 3 387.823 3.310 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@H]3CCC(F)(F)C3)no2)ccc1F ZINC000281543964 1435812928 /nfs/dbraw/zinc/81/29/28/1435812928.db2.gz XBBPPMPNQQZIFX-NSHDSACASA-N -1 3 387.383 3.243 20 30 GGEDHM C=CCC[C@H](NCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823894739 1442460072 /nfs/dbraw/zinc/46/00/72/1442460072.db2.gz WXHMTNJEXSHDTE-INIZCTEOSA-N -1 3 380.452 3.312 20 30 GGEDHM C=CCC[C@H](NCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823894739 1442460074 /nfs/dbraw/zinc/46/00/74/1442460074.db2.gz WXHMTNJEXSHDTE-INIZCTEOSA-N -1 3 380.452 3.312 20 30 GGEDHM C=CCOc1ccc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000823932145 1443218112 /nfs/dbraw/zinc/21/81/12/1443218112.db2.gz PXWHBVUYGAINOB-UHFFFAOYSA-N -1 3 391.475 3.475 20 30 GGEDHM C=CCOc1ccc(CN2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000823932145 1443218116 /nfs/dbraw/zinc/21/81/16/1443218116.db2.gz PXWHBVUYGAINOB-UHFFFAOYSA-N -1 3 391.475 3.475 20 30 GGEDHM N#Cc1ccc(OCCCN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385803 1446958367 /nfs/dbraw/zinc/95/83/67/1446958367.db2.gz BJRWIYRILOYMKU-UHFFFAOYSA-N -1 3 386.459 3.297 20 30 GGEDHM N#Cc1ccc(OCCCN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826385803 1446958372 /nfs/dbraw/zinc/95/83/72/1446958372.db2.gz BJRWIYRILOYMKU-UHFFFAOYSA-N -1 3 386.459 3.297 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC000908946074 939360463 /nfs/dbraw/zinc/36/04/63/939360463.db2.gz IDMSLIBOTDYIDU-MRXNPFEDSA-N -1 3 399.413 3.171 20 30 GGEDHM C=CCN(Cc1cccs1)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000819745559 945280289 /nfs/dbraw/zinc/28/02/89/945280289.db2.gz JSWHCFRKAHYPAU-UHFFFAOYSA-N -1 3 379.449 3.166 20 30 GGEDHM C=CCN(Cc1cccs1)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000819745559 945280298 /nfs/dbraw/zinc/28/02/98/945280298.db2.gz JSWHCFRKAHYPAU-UHFFFAOYSA-N -1 3 379.449 3.166 20 30 GGEDHM C=CCOc1cccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735436128 944650620 /nfs/dbraw/zinc/65/06/20/944650620.db2.gz GGTOQHDGIJEBIB-LJQANCHMSA-N -1 3 390.447 3.039 20 30 GGEDHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1Oc1ccncc1 ZINC000737314632 945037781 /nfs/dbraw/zinc/03/77/81/945037781.db2.gz FBSVFEBJZZTGKL-UHFFFAOYSA-N -1 3 397.398 3.486 20 30 GGEDHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1Oc1ccncc1 ZINC000737314632 945037790 /nfs/dbraw/zinc/03/77/90/945037790.db2.gz FBSVFEBJZZTGKL-UHFFFAOYSA-N -1 3 397.398 3.486 20 30 GGEDHM COc1c(Cl)cc(Cl)cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821698348 945833885 /nfs/dbraw/zinc/83/38/85/945833885.db2.gz GEKDPVXLLCKMMB-UHFFFAOYSA-N -1 3 377.235 3.306 20 30 GGEDHM COc1c(Cl)cc(Cl)cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821698348 945833889 /nfs/dbraw/zinc/83/38/89/945833889.db2.gz GEKDPVXLLCKMMB-UHFFFAOYSA-N -1 3 377.235 3.306 20 30 GGEDHM C=CCCC[C@@H](C)NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823894002 946500474 /nfs/dbraw/zinc/50/04/74/946500474.db2.gz DMKULRORPYQXJF-OAHLLOKOSA-N -1 3 384.484 3.164 20 30 GGEDHM C=CCCOCC(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000823899062 946510171 /nfs/dbraw/zinc/51/01/71/946510171.db2.gz JQSODXONEGZQQR-UHFFFAOYSA-N -1 3 385.468 3.034 20 30 GGEDHM CC(C)(C#N)CCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824059041 946573143 /nfs/dbraw/zinc/57/31/43/946573143.db2.gz LKFQPTRBOZKHQV-UHFFFAOYSA-N -1 3 378.392 3.151 20 30 GGEDHM CC(C)(C#N)CCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824059041 946573147 /nfs/dbraw/zinc/57/31/47/946573147.db2.gz LKFQPTRBOZKHQV-UHFFFAOYSA-N -1 3 378.392 3.151 20 30 GGEDHM C#CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C1CC(C(C)(C)C)C1 ZINC001573281667 946680113 /nfs/dbraw/zinc/68/01/13/946680113.db2.gz AQYIQGXBPVSKCB-UHFFFAOYSA-N -1 3 390.495 3.192 20 30 GGEDHM C#CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C1CC(C(C)(C)C)C1 ZINC001573281667 946680117 /nfs/dbraw/zinc/68/01/17/946680117.db2.gz AQYIQGXBPVSKCB-UHFFFAOYSA-N -1 3 390.495 3.192 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(CC)C[C@@H](C)CC ZINC001573282687 946695905 /nfs/dbraw/zinc/69/59/05/946695905.db2.gz MWRHRRQUMOHURI-INIZCTEOSA-N -1 3 392.511 3.411 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(CC)C[C@@H](C)CC ZINC001573282687 946695911 /nfs/dbraw/zinc/69/59/11/946695911.db2.gz MWRHRRQUMOHURI-INIZCTEOSA-N -1 3 392.511 3.411 20 30 GGEDHM C#CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)CC1CC1 ZINC001573283015 946706110 /nfs/dbraw/zinc/70/61/10/946706110.db2.gz QDCHTDHYTCOKDI-UHFFFAOYSA-N -1 3 390.495 3.165 20 30 GGEDHM C#CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)CC1CC1 ZINC001573283015 946706116 /nfs/dbraw/zinc/70/61/16/946706116.db2.gz QDCHTDHYTCOKDI-UHFFFAOYSA-N -1 3 390.495 3.165 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H](C)[C@H]1CC ZINC001573283668 946722445 /nfs/dbraw/zinc/72/24/45/946722445.db2.gz WQENJHUULWRCAZ-CRAIPNDOSA-N -1 3 390.495 3.163 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H](C)[C@H]1CC ZINC001573283668 946722454 /nfs/dbraw/zinc/72/24/54/946722454.db2.gz WQENJHUULWRCAZ-CRAIPNDOSA-N -1 3 390.495 3.163 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC001573283671 946722979 /nfs/dbraw/zinc/72/29/79/946722979.db2.gz WQENJHUULWRCAZ-QAPCUYQASA-N -1 3 390.495 3.163 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC001573283671 946722986 /nfs/dbraw/zinc/72/29/86/946722986.db2.gz WQENJHUULWRCAZ-QAPCUYQASA-N -1 3 390.495 3.163 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001573283840 946727041 /nfs/dbraw/zinc/72/70/41/946727041.db2.gz YRKWJGHOFDIYES-GOSISDBHSA-N -1 3 390.495 3.021 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001573283840 946727046 /nfs/dbraw/zinc/72/70/46/946727046.db2.gz YRKWJGHOFDIYES-GOSISDBHSA-N -1 3 390.495 3.021 20 30 GGEDHM C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824516998 946757869 /nfs/dbraw/zinc/75/78/69/946757869.db2.gz ZSOIIYBCHLFFCR-ZDUSSCGKSA-N -1 3 383.415 3.224 20 30 GGEDHM C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824516998 946757875 /nfs/dbraw/zinc/75/78/75/946757875.db2.gz ZSOIIYBCHLFFCR-ZDUSSCGKSA-N -1 3 383.415 3.224 20 30 GGEDHM C#CCC1(NC(=O)NCCSCc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC001573285359 946776624 /nfs/dbraw/zinc/77/66/24/946776624.db2.gz WXLJFWCUMHJBRU-UHFFFAOYSA-N -1 3 398.536 3.125 20 30 GGEDHM C#CCC1(NC(=O)NCCSCc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC001573285359 946776631 /nfs/dbraw/zinc/77/66/31/946776631.db2.gz WXLJFWCUMHJBRU-UHFFFAOYSA-N -1 3 398.536 3.125 20 30 GGEDHM C#CCOc1ccccc1NC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001573287492 946838562 /nfs/dbraw/zinc/83/85/62/946838562.db2.gz CILOBHNMOVOPPE-KRWDZBQOSA-N -1 3 388.431 3.078 20 30 GGEDHM C#CCOc1ccccc1NC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001573287492 946838571 /nfs/dbraw/zinc/83/85/71/946838571.db2.gz CILOBHNMOVOPPE-KRWDZBQOSA-N -1 3 388.431 3.078 20 30 GGEDHM C#CCOc1ccc(F)cc1NC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001573288430 946868155 /nfs/dbraw/zinc/86/81/55/946868155.db2.gz KVGRXIZFQXINLV-ZDUSSCGKSA-N -1 3 394.410 3.243 20 30 GGEDHM C#CCOc1ccc(F)cc1NC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001573288430 946868167 /nfs/dbraw/zinc/86/81/67/946868167.db2.gz KVGRXIZFQXINLV-ZDUSSCGKSA-N -1 3 394.410 3.243 20 30 GGEDHM C#CCSCC(=O)OCc1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001573289655 946889573 /nfs/dbraw/zinc/88/95/73/946889573.db2.gz OVOPOIOGHCRRAE-UHFFFAOYSA-N -1 3 380.429 3.069 20 30 GGEDHM C#CCSCC(=O)OCc1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001573289655 946889592 /nfs/dbraw/zinc/88/95/92/946889592.db2.gz OVOPOIOGHCRRAE-UHFFFAOYSA-N -1 3 380.429 3.069 20 30 GGEDHM C#Cc1ccccc1CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC001573289803 946891790 /nfs/dbraw/zinc/89/17/90/946891790.db2.gz DETYZBULMHCEHL-UHFFFAOYSA-N -1 3 396.454 3.437 20 30 GGEDHM C#Cc1ccccc1CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC001573289803 946891802 /nfs/dbraw/zinc/89/18/02/946891802.db2.gz DETYZBULMHCEHL-UHFFFAOYSA-N -1 3 396.454 3.437 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC001573290238 946900955 /nfs/dbraw/zinc/90/09/55/946900955.db2.gz HTFDDKFCWHUSBW-UHFFFAOYSA-N -1 3 382.383 3.288 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC001573290238 946900962 /nfs/dbraw/zinc/90/09/62/946900962.db2.gz HTFDDKFCWHUSBW-UHFFFAOYSA-N -1 3 382.383 3.288 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)cc1 ZINC001573290544 946906218 /nfs/dbraw/zinc/90/62/18/946906218.db2.gz LIEOEARCJHROTE-UHFFFAOYSA-N -1 3 382.383 3.288 20 30 GGEDHM CC(=O)c1ccc(OC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001573556560 946928999 /nfs/dbraw/zinc/92/89/99/946928999.db2.gz SAKWIDDABYVJIS-AWEZNQCLSA-N -1 3 395.806 3.011 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001573293650 946963314 /nfs/dbraw/zinc/96/33/14/946963314.db2.gz FKGRJSMVVFOCNM-CRAIPNDOSA-N -1 3 390.495 3.470 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001573293650 946963319 /nfs/dbraw/zinc/96/33/19/946963319.db2.gz FKGRJSMVVFOCNM-CRAIPNDOSA-N -1 3 390.495 3.470 20 30 GGEDHM C=C(C)CN(CC)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC1(C)CC1 ZINC001573294250 946983667 /nfs/dbraw/zinc/98/36/67/946983667.db2.gz ZQZKQHWUAWYUDV-UHFFFAOYSA-N -1 3 378.484 3.328 20 30 GGEDHM C=C(C)CN(CC)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC1(C)CC1 ZINC001573294250 946983679 /nfs/dbraw/zinc/98/36/79/946983679.db2.gz ZQZKQHWUAWYUDV-UHFFFAOYSA-N -1 3 378.484 3.328 20 30 GGEDHM C=C(CC)CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC001573295952 947034518 /nfs/dbraw/zinc/03/45/18/947034518.db2.gz WICJHDOFMQMOPV-UHFFFAOYSA-N -1 3 394.483 3.438 20 30 GGEDHM C=C(Cl)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCCC2(CC2)C1 ZINC001573296915 947056348 /nfs/dbraw/zinc/05/63/48/947056348.db2.gz BBIVMMWJVLSYAR-UHFFFAOYSA-N -1 3 396.886 3.258 20 30 GGEDHM C=C(Cl)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCCC2(CC2)C1 ZINC001573296915 947056360 /nfs/dbraw/zinc/05/63/60/947056360.db2.gz BBIVMMWJVLSYAR-UHFFFAOYSA-N -1 3 396.886 3.258 20 30 GGEDHM C=C(Cl)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC(C)=C(C)C1 ZINC001573298200 947072036 /nfs/dbraw/zinc/07/20/36/947072036.db2.gz NWUGOCWHQZCIFS-UHFFFAOYSA-N -1 3 396.886 3.424 20 30 GGEDHM C=C(Cl)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC(C)=C(C)C1 ZINC001573298200 947072044 /nfs/dbraw/zinc/07/20/44/947072044.db2.gz NWUGOCWHQZCIFS-UHFFFAOYSA-N -1 3 396.886 3.424 20 30 GGEDHM CCN(C(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376528 947167961 /nfs/dbraw/zinc/16/79/61/947167961.db2.gz IMHJQOBMYVEMPI-UHFFFAOYSA-N -1 3 396.838 3.018 20 30 GGEDHM CCN(C(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376528 947167969 /nfs/dbraw/zinc/16/79/69/947167969.db2.gz IMHJQOBMYVEMPI-UHFFFAOYSA-N -1 3 396.838 3.018 20 30 GGEDHM C=CC(C)(C)CCCNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001573306828 947176651 /nfs/dbraw/zinc/17/66/51/947176651.db2.gz NKVZWNHDGFZFNP-UHFFFAOYSA-N -1 3 379.468 3.083 20 30 GGEDHM C=CC(C)(C)CCCNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001573306828 947176653 /nfs/dbraw/zinc/17/66/53/947176653.db2.gz NKVZWNHDGFZFNP-UHFFFAOYSA-N -1 3 379.468 3.083 20 30 GGEDHM C[C@H](C#N)N(C)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC001573585443 947257094 /nfs/dbraw/zinc/25/70/94/947257094.db2.gz GBZNSHXSNWGFLW-LLVKDONJSA-N -1 3 382.811 3.296 20 30 GGEDHM C[C@H](C#N)N(C)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC001573585443 947257104 /nfs/dbraw/zinc/25/71/04/947257104.db2.gz GBZNSHXSNWGFLW-LLVKDONJSA-N -1 3 382.811 3.296 20 30 GGEDHM C=CC1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CCC2CC2)CC1 ZINC001573316649 947279234 /nfs/dbraw/zinc/27/92/34/947279234.db2.gz XWJZYJCKVAJNBQ-UHFFFAOYSA-N -1 3 390.495 3.328 20 30 GGEDHM C=CC1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CCC2CC2)CC1 ZINC001573316649 947279244 /nfs/dbraw/zinc/27/92/44/947279244.db2.gz XWJZYJCKVAJNBQ-UHFFFAOYSA-N -1 3 390.495 3.328 20 30 GGEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001573326780 947378269 /nfs/dbraw/zinc/37/82/69/947378269.db2.gz VDKMKVLFDYASRW-KRWDZBQOSA-N -1 3 379.489 3.262 20 30 GGEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001573326780 947378276 /nfs/dbraw/zinc/37/82/76/947378276.db2.gz VDKMKVLFDYASRW-KRWDZBQOSA-N -1 3 379.489 3.262 20 30 GGEDHM C=CCC[C@H](C(=O)N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC001573327790 947395805 /nfs/dbraw/zinc/39/58/05/947395805.db2.gz KWRJQOKMWSMKGW-FQEVSTJZSA-N -1 3 388.475 3.239 20 30 GGEDHM C=CCC[C@H](C(=O)N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC001573327790 947395819 /nfs/dbraw/zinc/39/58/19/947395819.db2.gz KWRJQOKMWSMKGW-FQEVSTJZSA-N -1 3 388.475 3.239 20 30 GGEDHM C=CCCN(OCc1ccccc1)C(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001573334496 947456186 /nfs/dbraw/zinc/45/61/86/947456186.db2.gz DWJBOKXTPAGYHQ-UHFFFAOYSA-N -1 3 388.431 3.498 20 30 GGEDHM C=CCCC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001573334962 947467256 /nfs/dbraw/zinc/46/72/56/947467256.db2.gz KEOVTAGTSMNMHM-LJQANCHMSA-N -1 3 377.448 3.459 20 30 GGEDHM C=CCCCCCCCNC(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573335111 947472482 /nfs/dbraw/zinc/47/24/82/947472482.db2.gz LNQOHIQAVJLWTJ-IBGZPJMESA-N -1 3 398.511 3.476 20 30 GGEDHM C=CCCCCCCCNC(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573335111 947472491 /nfs/dbraw/zinc/47/24/91/947472491.db2.gz LNQOHIQAVJLWTJ-IBGZPJMESA-N -1 3 398.511 3.476 20 30 GGEDHM C=CCCCCCCCNC(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573335113 947472980 /nfs/dbraw/zinc/47/29/80/947472980.db2.gz LNQOHIQAVJLWTJ-LJQANCHMSA-N -1 3 398.511 3.476 20 30 GGEDHM C=CCCCCCCCNC(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573335113 947472984 /nfs/dbraw/zinc/47/29/84/947472984.db2.gz LNQOHIQAVJLWTJ-LJQANCHMSA-N -1 3 398.511 3.476 20 30 GGEDHM C=CCCSCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573341770 947537093 /nfs/dbraw/zinc/53/70/93/947537093.db2.gz QGMDMMDPVKKOJT-UHFFFAOYSA-N -1 3 396.476 3.093 20 30 GGEDHM C=CCCSCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573341770 947537106 /nfs/dbraw/zinc/53/71/06/947537106.db2.gz QGMDMMDPVKKOJT-UHFFFAOYSA-N -1 3 396.476 3.093 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1c(C)cc(C#N)cc1C ZINC001573342449 947542291 /nfs/dbraw/zinc/54/22/91/947542291.db2.gz YQKUMKZFQMXGBZ-UHFFFAOYSA-N -1 3 386.459 3.113 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1c(C)cc(C#N)cc1C ZINC001573342449 947542303 /nfs/dbraw/zinc/54/23/03/947542303.db2.gz YQKUMKZFQMXGBZ-UHFFFAOYSA-N -1 3 386.459 3.113 20 30 GGEDHM C=CCOc1cc(OC)ccc1C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001573347412 947574394 /nfs/dbraw/zinc/57/43/94/947574394.db2.gz DJOWKIWSXASNPB-AWEZNQCLSA-N -1 3 393.447 3.273 20 30 GGEDHM C=CCOc1cc(OC)ccc1C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001573347412 947574403 /nfs/dbraw/zinc/57/44/03/947574403.db2.gz DJOWKIWSXASNPB-AWEZNQCLSA-N -1 3 393.447 3.273 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)cc1OC ZINC001573347837 947576805 /nfs/dbraw/zinc/57/68/05/947576805.db2.gz IIZGVVFMNPBXFQ-VURMDHGXSA-N -1 3 391.431 3.400 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)cc1OC ZINC001573347837 947576811 /nfs/dbraw/zinc/57/68/11/947576811.db2.gz IIZGVVFMNPBXFQ-VURMDHGXSA-N -1 3 391.431 3.400 20 30 GGEDHM C=CCOCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001573348753 947587413 /nfs/dbraw/zinc/58/74/13/947587413.db2.gz UYXCGYRZWYOTOP-UHFFFAOYSA-N -1 3 394.435 3.373 20 30 GGEDHM C=CCOCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001573348753 947587417 /nfs/dbraw/zinc/58/74/17/947587417.db2.gz UYXCGYRZWYOTOP-UHFFFAOYSA-N -1 3 394.435 3.373 20 30 GGEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001573349102 947591636 /nfs/dbraw/zinc/59/16/36/947591636.db2.gz YYZROHFZIJXXEM-UHFFFAOYSA-N -1 3 390.495 3.494 20 30 GGEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001573349102 947591640 /nfs/dbraw/zinc/59/16/40/947591640.db2.gz YYZROHFZIJXXEM-UHFFFAOYSA-N -1 3 390.495 3.494 20 30 GGEDHM C=CCOc1cccnc1C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001573349194 947591736 /nfs/dbraw/zinc/59/17/36/947591736.db2.gz ZSGZGGHHHZPEAM-UHFFFAOYSA-N -1 3 394.435 3.256 20 30 GGEDHM C=CCOc1cccnc1C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001573349194 947591742 /nfs/dbraw/zinc/59/17/42/947591742.db2.gz ZSGZGGHHHZPEAM-UHFFFAOYSA-N -1 3 394.435 3.256 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc([O-])c(F)c2)cnn1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826234008 947687514 /nfs/dbraw/zinc/68/75/14/947687514.db2.gz DEFKVVLCGUSXQV-WAPJZHGLSA-N -1 3 390.378 3.102 20 30 GGEDHM Cc1c(Cl)cnc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1C#N ZINC000826240375 947711394 /nfs/dbraw/zinc/71/13/94/947711394.db2.gz PORCJXNDINVIQZ-UHFFFAOYSA-N -1 3 391.826 3.097 20 30 GGEDHM Cc1c(Cl)cnc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1C#N ZINC000826240375 947711407 /nfs/dbraw/zinc/71/14/07/947711407.db2.gz PORCJXNDINVIQZ-UHFFFAOYSA-N -1 3 391.826 3.097 20 30 GGEDHM N#Cc1cc(NC(=O)c2coc(-c3ccccc3Cl)n2)ccc1-c1nnn[n-]1 ZINC000826384381 948185283 /nfs/dbraw/zinc/18/52/83/948185283.db2.gz SKLZKCQXJNHBTG-UHFFFAOYSA-N -1 3 391.778 3.299 20 30 GGEDHM N#Cc1cc(NC(=O)c2coc(-c3ccccc3Cl)n2)ccc1-c1nn[n-]n1 ZINC000826384381 948185287 /nfs/dbraw/zinc/18/52/87/948185287.db2.gz SKLZKCQXJNHBTG-UHFFFAOYSA-N -1 3 391.778 3.299 20 30 GGEDHM N#Cc1cc([N+](=O)[O-])cnc1Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826384535 948185671 /nfs/dbraw/zinc/18/56/71/948185671.db2.gz ZCKKUFGXONMCHX-UHFFFAOYSA-N -1 3 393.310 3.212 20 30 GGEDHM N#Cc1cc([N+](=O)[O-])cnc1Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826384535 948185676 /nfs/dbraw/zinc/18/56/76/948185676.db2.gz ZCKKUFGXONMCHX-UHFFFAOYSA-N -1 3 393.310 3.212 20 30 GGEDHM CC(F)(F)c1ccccc1NC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575244219 949018428 /nfs/dbraw/zinc/01/84/28/949018428.db2.gz YEGDGHJYKPVLAB-CQSZACIVSA-N -1 3 382.374 3.299 20 30 GGEDHM CC(F)(F)c1ccccc1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575244219 949018447 /nfs/dbraw/zinc/01/84/47/949018447.db2.gz YEGDGHJYKPVLAB-CQSZACIVSA-N -1 3 382.374 3.299 20 30 GGEDHM CC(C)(C)c1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc(Cl)n1 ZINC001573879582 950729509 /nfs/dbraw/zinc/72/95/09/950729509.db2.gz HCTHXINIPOUHMT-UHFFFAOYSA-N -1 3 381.827 3.337 20 30 GGEDHM CC(C)(C)c1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc(Cl)n1 ZINC001573879582 950729519 /nfs/dbraw/zinc/72/95/19/950729519.db2.gz HCTHXINIPOUHMT-UHFFFAOYSA-N -1 3 381.827 3.337 20 30 GGEDHM CC1(C)C[C@@H](CNc2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)CCO1 ZINC001575639018 950848991 /nfs/dbraw/zinc/84/89/91/950848991.db2.gz MOBFCNVXWGPDFD-AWEZNQCLSA-N -1 3 395.511 3.409 20 30 GGEDHM CC1(C)C[C@@H](CNc2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)CCO1 ZINC001575639018 950849008 /nfs/dbraw/zinc/84/90/08/950849008.db2.gz MOBFCNVXWGPDFD-AWEZNQCLSA-N -1 3 395.511 3.409 20 30 GGEDHM CC[C@H](C#N)Oc1cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC ZINC000736848777 978361786 /nfs/dbraw/zinc/36/17/86/978361786.db2.gz NDODABBBOIURAN-XLIONFOSSA-N -1 3 379.416 3.163 20 30 GGEDHM C#C[C@@H](NCc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1)C1CCOCC1 ZINC001588377705 983358578 /nfs/dbraw/zinc/35/85/78/983358578.db2.gz PXLQUOHDOIIRQB-GOSISDBHSA-N -1 3 399.443 3.083 20 30 GGEDHM C#CCN(CC1(CC(=O)[O-])CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC001588467950 983499394 /nfs/dbraw/zinc/49/93/94/983499394.db2.gz IOJYWOIXKSTRDA-HNNXBMFYSA-N -1 3 378.266 3.463 20 30 GGEDHM CCO[C@H]1C[C@@](NCc2cc(C#N)ccc2Br)(C(=O)[O-])C1(C)C ZINC001596838461 985506717 /nfs/dbraw/zinc/50/67/17/985506717.db2.gz OBUMTOKMYCFINA-WMLDXEAASA-N -1 3 381.270 3.069 20 30 GGEDHM CCO[C@H]1C[C@@](NCc2ccc(Br)cc2C#N)(C(=O)[O-])C1(C)C ZINC001596838941 985512896 /nfs/dbraw/zinc/51/28/96/985512896.db2.gz QMSSEEKGXPANRM-WMLDXEAASA-N -1 3 381.270 3.069 20 30 GGEDHM CN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(C(=O)[O-])cc1 ZINC001598513917 992597549 /nfs/dbraw/zinc/59/75/49/992597549.db2.gz JRRPIMBBLIPVGN-UHFFFAOYSA-N -1 3 375.432 3.189 20 30 GGEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC001593195547 994147884 /nfs/dbraw/zinc/14/78/84/994147884.db2.gz QMGRCJVZHPCDQN-KUHUBIRLSA-N -1 3 379.416 3.381 20 30 GGEDHM C[C@H](N[C@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001593222054 994330783 /nfs/dbraw/zinc/33/07/83/994330783.db2.gz GHTBZVUKJIUDQW-KKSFZXQISA-N -1 3 391.471 3.342 20 30 GGEDHM N#Cc1c(F)cccc1CN[C@H](Cc1ccccc1Br)C(=O)[O-] ZINC001601081893 1126221821 /nfs/dbraw/zinc/22/18/21/1126221821.db2.gz AKGVQRLLEZQZDT-MRXNPFEDSA-N -1 3 377.213 3.245 20 30 GGEDHM CCOc1cc(/C=C2\Cc3c(cccc3[O-])C2=O)ccc1O[C@H](C)C(=O)N(C)C ZINC000011336250 221114915 /nfs/dbraw/zinc/11/49/15/221114915.db2.gz DJLHKODYNSKLRQ-DSQDWWTGSA-N -1 3 395.455 3.469 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccccc2)CCCC1 ZINC000012101332 221150414 /nfs/dbraw/zinc/15/04/14/221150414.db2.gz QIZSDWWHPOWJMV-UHFFFAOYSA-N -1 3 377.488 3.424 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1nc2ccccc2s1 ZINC000012889589 221242529 /nfs/dbraw/zinc/24/25/29/221242529.db2.gz GKTYLEBSPKEJSF-UHFFFAOYSA-N -1 3 380.473 3.064 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1OC(F)(F)F ZINC000032837422 221740887 /nfs/dbraw/zinc/74/08/87/221740887.db2.gz ZXWUFJHVLIUGLO-UHFFFAOYSA-N -1 3 379.338 3.333 20 30 GGEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cccc(NC(=O)c2cccnc2)c1 ZINC000053527056 222011073 /nfs/dbraw/zinc/01/10/73/222011073.db2.gz PCDHGHWVKWFZIL-UHFFFAOYSA-N -1 3 385.387 3.150 20 30 GGEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc(NC(=O)c2cccnc2)c1 ZINC000053527056 222011079 /nfs/dbraw/zinc/01/10/79/222011079.db2.gz PCDHGHWVKWFZIL-UHFFFAOYSA-N -1 3 385.387 3.150 20 30 GGEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cccc(NC(=O)c2cccnc2)c1 ZINC000053527056 222011083 /nfs/dbraw/zinc/01/10/83/222011083.db2.gz PCDHGHWVKWFZIL-UHFFFAOYSA-N -1 3 385.387 3.150 20 30 GGEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)cc1Cl ZINC000096013462 222371512 /nfs/dbraw/zinc/37/15/12/222371512.db2.gz GFDCFXPEGJDFTF-QFYYESIMSA-N -1 3 387.864 3.188 20 30 GGEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)cc1Cl ZINC000096013459 222371662 /nfs/dbraw/zinc/37/16/62/222371662.db2.gz GFDCFXPEGJDFTF-QLJPJBMISA-N -1 3 387.864 3.188 20 30 GGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl ZINC000114673427 564180429 /nfs/dbraw/zinc/18/04/29/564180429.db2.gz DPKOQHRKKGOMLH-UHFFFAOYSA-N -1 3 377.853 3.023 20 30 GGEDHM N#Cc1cnc2ccc(Cl)cc2c1NCC[N-]S(=O)(=O)c1cccs1 ZINC000120021329 564300773 /nfs/dbraw/zinc/30/07/73/564300773.db2.gz GLQKUCMPLNCLDB-UHFFFAOYSA-N -1 3 392.893 3.212 20 30 GGEDHM C[C@@H](C#N)OC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000023417484 564324564 /nfs/dbraw/zinc/32/45/64/564324564.db2.gz LLFARUYZTYRQTB-JTQLQIEISA-N -1 3 382.800 3.349 20 30 GGEDHM CSCCC[N-]C(=S)C(C(=O)c1ccc(C)s1)[n+]1cccc([O-])c1 ZINC000027479451 564355197 /nfs/dbraw/zinc/35/51/97/564355197.db2.gz DHOQFKAEPWUPDX-UHFFFAOYSA-O -1 3 381.568 3.331 20 30 GGEDHM C=CCNC(=O)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028660674 564363504 /nfs/dbraw/zinc/36/35/04/564363504.db2.gz YSBRNRHZOAHSQA-SNVBAGLBSA-N -1 3 375.475 3.341 20 30 GGEDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000121642216 564379502 /nfs/dbraw/zinc/37/95/02/564379502.db2.gz SFNSOAUYTMWGPS-UHFFFAOYSA-N -1 3 384.244 3.025 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)c(C(F)(F)F)c1 ZINC000122914999 564431519 /nfs/dbraw/zinc/43/15/19/564431519.db2.gz MPLSXYZLRDDAMW-UHFFFAOYSA-N -1 3 387.408 3.389 20 30 GGEDHM C=C(C)CN(CC)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000125001097 564499860 /nfs/dbraw/zinc/49/98/60/564499860.db2.gz ZVLVHTTWCHTSNI-UHFFFAOYSA-N -1 3 379.309 3.086 20 30 GGEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CC#N)cc1Br ZINC000125418927 564513926 /nfs/dbraw/zinc/51/39/26/564513926.db2.gz RIRPBEDGSQIOBT-MRVPVSSYSA-N -1 3 396.104 3.101 20 30 GGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1cccc(Br)c1 ZINC000125481840 564515541 /nfs/dbraw/zinc/51/55/41/564515541.db2.gz XMFPCXZVSKYIRW-AWEZNQCLSA-N -1 3 382.221 3.223 20 30 GGEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000125705050 564523835 /nfs/dbraw/zinc/52/38/35/564523835.db2.gz RILQGRGLGWFHRV-MRVPVSSYSA-N -1 3 383.105 3.373 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000126512322 564551750 /nfs/dbraw/zinc/55/17/50/564551750.db2.gz QUFVHZZMHDGUBV-UHFFFAOYSA-N -1 3 390.877 3.209 20 30 GGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000054184943 564600300 /nfs/dbraw/zinc/60/03/00/564600300.db2.gz DYXGXTGLRZVAJF-VIFPVBQESA-N -1 3 396.104 3.182 20 30 GGEDHM Cc1cc(Br)cc(Cl)c1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000128593445 564623068 /nfs/dbraw/zinc/62/30/68/564623068.db2.gz FQOCQQINNGDONF-UHFFFAOYSA-N -1 3 386.658 3.478 20 30 GGEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000130476205 564682780 /nfs/dbraw/zinc/68/27/80/564682780.db2.gz VQACOQVVVSHBLP-IINYFYTJSA-N -1 3 375.263 3.339 20 30 GGEDHM CSCC[N-]C(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1cccc([O-])c1 ZINC000131236155 564705234 /nfs/dbraw/zinc/70/52/34/564705234.db2.gz IZOIHJBXVRFIAT-UHFFFAOYSA-O -1 3 375.539 3.188 20 30 GGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)c1 ZINC000064374536 564728492 /nfs/dbraw/zinc/72/84/92/564728492.db2.gz ZHLCKCMSYBBXQN-UHFFFAOYSA-N -1 3 380.853 3.065 20 30 GGEDHM C=C(C)COc1cccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000066727211 564773985 /nfs/dbraw/zinc/77/39/85/564773985.db2.gz VGDQSHKZZLNADX-CYBMUJFWSA-N -1 3 380.491 3.009 20 30 GGEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000066800896 564775336 /nfs/dbraw/zinc/77/53/36/564775336.db2.gz SARGBRXVDJMXOA-LBPRGKRZSA-N -1 3 378.475 3.471 20 30 GGEDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000067348692 564789283 /nfs/dbraw/zinc/78/92/83/564789283.db2.gz CJFAZZPZRUWSLR-UHFFFAOYSA-N -1 3 375.397 3.159 20 30 GGEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1Br ZINC000135374594 564830071 /nfs/dbraw/zinc/83/00/71/564830071.db2.gz XIHCWMFZTNLFHZ-UHFFFAOYSA-N -1 3 385.214 3.269 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCOC2CCCC2)c(C(F)(F)F)c1 ZINC000142660666 564875447 /nfs/dbraw/zinc/87/54/47/564875447.db2.gz KGZMHNAQMPWIGX-UHFFFAOYSA-N -1 3 376.400 3.205 20 30 GGEDHM N#CCN1CCC(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000151818436 564937616 /nfs/dbraw/zinc/93/76/16/564937616.db2.gz BGMHEJMYRCWMEW-UHFFFAOYSA-N -1 3 383.926 3.069 20 30 GGEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000108240672 565008892 /nfs/dbraw/zinc/00/88/92/565008892.db2.gz RQIPLVRWHDITCM-GFCCVEGCSA-N -1 3 378.475 3.328 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Br)ccc1F ZINC000110648729 565043189 /nfs/dbraw/zinc/04/31/89/565043189.db2.gz QNJRJAUDRJYJIW-UHFFFAOYSA-N -1 3 392.228 3.336 20 30 GGEDHM CC#CCNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000154539097 565043266 /nfs/dbraw/zinc/04/32/66/565043266.db2.gz URAMMTVVXCZTQS-UHFFFAOYSA-N -1 3 380.828 3.033 20 30 GGEDHM C=CC1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000110968113 565048225 /nfs/dbraw/zinc/04/82/25/565048225.db2.gz MODCUPXGVDXSHN-UHFFFAOYSA-N -1 3 391.320 3.086 20 30 GGEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000155018356 565059508 /nfs/dbraw/zinc/05/95/08/565059508.db2.gz JUXZSICYIKIXRZ-UHFFFAOYSA-N -1 3 391.758 3.349 20 30 GGEDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)s1 ZINC000155295824 565065653 /nfs/dbraw/zinc/06/56/53/565065653.db2.gz GVZAKUFSXPJMMP-SECBINFHSA-N -1 3 386.296 3.125 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](c1cccs1)N1CCCC1 ZINC000156162524 565075489 /nfs/dbraw/zinc/07/54/89/565075489.db2.gz FQMACPOZNQVOGI-OAHLLOKOSA-N -1 3 395.937 3.389 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)c(Cl)c1 ZINC000183632035 565083454 /nfs/dbraw/zinc/08/34/54/565083454.db2.gz DKVMFULIHCGZQC-FUHWJXTLSA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)c(Cl)c1 ZINC000183633117 565083917 /nfs/dbraw/zinc/08/39/17/565083917.db2.gz LKCQWNQTTRGIBY-UHFFFAOYSA-N -1 3 386.807 3.334 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)c(Cl)c1 ZINC000183637187 565084649 /nfs/dbraw/zinc/08/46/49/565084649.db2.gz NYDUIUPHGRYKLV-UHFFFAOYSA-N -1 3 395.937 3.458 20 30 GGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000156736008 565104065 /nfs/dbraw/zinc/10/40/65/565104065.db2.gz QDMXFGIHCWUWGH-CQSZACIVSA-N -1 3 377.809 3.086 20 30 GGEDHM Cc1noc(C)c1C(=O)C(C(=S)[N-]C1CCC1)[n+]1cc([O-])cc(Cl)c1 ZINC000292239091 565106598 /nfs/dbraw/zinc/10/65/98/565106598.db2.gz BYHNEWRUSYOQQR-UHFFFAOYSA-O -1 3 380.877 3.019 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)cc1Cl ZINC000157000229 565114243 /nfs/dbraw/zinc/11/42/43/565114243.db2.gz DIZVDTRVVRLABX-UHFFFAOYSA-N -1 3 379.800 3.036 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(Cl)cc1 ZINC000157127632 565119822 /nfs/dbraw/zinc/11/98/22/565119822.db2.gz KQCZLCDUKSXZCL-UHFFFAOYSA-N -1 3 379.825 3.333 20 30 GGEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000184220643 565120438 /nfs/dbraw/zinc/12/04/38/565120438.db2.gz SORNHIABQNSQAF-HNNXBMFYSA-N -1 3 381.885 3.166 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000184304360 565126632 /nfs/dbraw/zinc/12/66/32/565126632.db2.gz URWBVXFIPZHYCG-SJLPKXTDSA-N -1 3 376.865 3.410 20 30 GGEDHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000184479099 565137120 /nfs/dbraw/zinc/13/71/20/565137120.db2.gz XTPGBZRRNCLYFJ-UHFFFAOYSA-N -1 3 383.926 3.487 20 30 GGEDHM COCc1nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n[n-]1 ZINC000268461186 565153525 /nfs/dbraw/zinc/15/35/25/565153525.db2.gz DZPIFPRAHFBLSI-NSHDSACASA-N -1 3 377.495 3.076 20 30 GGEDHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCC#N)cc1Br ZINC000158607371 565175064 /nfs/dbraw/zinc/17/50/64/565175064.db2.gz XXBXJNDRQBFLLA-UHFFFAOYSA-N -1 3 396.104 3.102 20 30 GGEDHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)c1 ZINC000185150481 565180677 /nfs/dbraw/zinc/18/06/77/565180677.db2.gz ASVRFABKHBMWJU-SFHVURJKSA-N -1 3 376.865 3.078 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)c1 ZINC000185175677 565184129 /nfs/dbraw/zinc/18/41/29/565184129.db2.gz WNPKGSZXUKHURQ-UHFFFAOYSA-N -1 3 390.877 3.209 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccncc1Br ZINC000270172289 565209969 /nfs/dbraw/zinc/20/99/69/565209969.db2.gz ALRMZZUSOCYSDG-UHFFFAOYSA-N -1 3 375.226 3.005 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000185893088 565227241 /nfs/dbraw/zinc/22/72/41/565227241.db2.gz IOGXZOKVLQEILZ-NVXWUHKLSA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)c1 ZINC000186083974 565238426 /nfs/dbraw/zinc/23/84/26/565238426.db2.gz FBJOBDYYETZJGP-HNNXBMFYSA-N -1 3 395.937 3.389 20 30 GGEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000186433011 565261084 /nfs/dbraw/zinc/26/10/84/565261084.db2.gz OBPRTZRQDQRHAK-SECBINFHSA-N -1 3 381.679 3.082 20 30 GGEDHM Cc1csc([C@@H]([N-]C(=O)CCOCC(F)(F)C(F)F)C(F)(F)F)n1 ZINC000295400268 565263395 /nfs/dbraw/zinc/26/33/95/565263395.db2.gz NVMXJRMJWQEESY-MRVPVSSYSA-N -1 3 382.301 3.478 20 30 GGEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)cc1Cl ZINC000161160230 565275435 /nfs/dbraw/zinc/27/54/35/565275435.db2.gz YYDLMCBRINNCTJ-HNNXBMFYSA-N -1 3 387.864 3.188 20 30 GGEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C1CCCCC1 ZINC000161176830 565276024 /nfs/dbraw/zinc/27/60/24/565276024.db2.gz NCFMCTMVQKWXFZ-CYBMUJFWSA-N -1 3 375.263 3.339 20 30 GGEDHM N#CC(=C([O-])c1cc(I)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000161935280 565297463 /nfs/dbraw/zinc/29/74/63/565297463.db2.gz VTFUOCDYOLUKSY-LBPRGKRZSA-N -1 3 393.140 3.084 20 30 GGEDHM Cc1noc(C)c1C(=O)C(C(=S)[N-]C(C)(C)C)[n+]1cc([O-])cc(Cl)c1 ZINC000186963853 565298579 /nfs/dbraw/zinc/29/85/79/565298579.db2.gz GQXNWXCWSONCSK-UHFFFAOYSA-O -1 3 382.893 3.265 20 30 GGEDHM C[C@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000373824722 565304999 /nfs/dbraw/zinc/30/49/99/565304999.db2.gz RLPUTCDUKGXNLY-CQSZACIVSA-N -1 3 375.519 3.124 20 30 GGEDHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1 ZINC000273387729 565318452 /nfs/dbraw/zinc/31/84/52/565318452.db2.gz CTFDMCBJPKRJQK-VIFPVBQESA-N -1 3 389.424 3.424 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000163354498 565343544 /nfs/dbraw/zinc/34/35/44/565343544.db2.gz DFZZRUYZJIGTDD-WBVHZDCISA-N -1 3 376.865 3.410 20 30 GGEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000187767649 565353590 /nfs/dbraw/zinc/35/35/90/565353590.db2.gz QXCOAZCJZLEJHK-CABCVRRESA-N -1 3 386.901 3.258 20 30 GGEDHM C=CC[C@@H](C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000188764875 565422688 /nfs/dbraw/zinc/42/26/88/565422688.db2.gz MJDZZDZJXNGUOT-CQSZACIVSA-N -1 3 398.937 3.156 20 30 GGEDHM C[C@@H](C#N)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000171847171 565453978 /nfs/dbraw/zinc/45/39/78/565453978.db2.gz BBDBJFAYGPVNIX-LBPRGKRZSA-N -1 3 377.853 3.030 20 30 GGEDHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000276635694 565455515 /nfs/dbraw/zinc/45/55/15/565455515.db2.gz GXAWNWQEDGAGDF-UHFFFAOYSA-N -1 3 376.400 3.061 20 30 GGEDHM N#Cc1ccc2nc(NCC[N-]S(=O)(=O)c3ccc(Cl)s3)ccc2c1 ZINC000301960831 565520963 /nfs/dbraw/zinc/52/09/63/565520963.db2.gz QYPPVDRGZBIZPG-UHFFFAOYSA-N -1 3 392.893 3.212 20 30 GGEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](CCC#N)c1ccccc1 ZINC000190313587 565522516 /nfs/dbraw/zinc/52/25/16/565522516.db2.gz NNTVNEPBAILKCX-AWEZNQCLSA-N -1 3 378.475 3.167 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3cccc(Br)c3)C2)c1[O-] ZINC000278193337 565543907 /nfs/dbraw/zinc/54/39/07/565543907.db2.gz GKSGXZIQZRNBEJ-MNPVBQOISA-N -1 3 390.281 3.048 20 30 GGEDHM C[C@@H]1CCCC[C@H]1[N-]C(=S)C(C(=O)c1nccs1)[n+]1cccc([O-])c1 ZINC000278212560 565545061 /nfs/dbraw/zinc/54/50/61/565545061.db2.gz IBNOQRJJGVWTPT-TZMCWYRMSA-O -1 3 376.527 3.243 20 30 GGEDHM C[C@H]1CCCC[C@@H]1[N-]C(=S)C(C(=O)c1nccs1)[n+]1cccc([O-])c1 ZINC000278212556 565545531 /nfs/dbraw/zinc/54/55/31/565545531.db2.gz IBNOQRJJGVWTPT-JSGCOSHPSA-O -1 3 376.527 3.243 20 30 GGEDHM C[C@@H]1CCCC[C@@H]1[N-]C(=S)C(C(=O)c1nccs1)[n+]1cccc([O-])c1 ZINC000278212558 565545665 /nfs/dbraw/zinc/54/56/65/565545665.db2.gz IBNOQRJJGVWTPT-OCCSQVGLSA-O -1 3 376.527 3.243 20 30 GGEDHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000390391779 565556375 /nfs/dbraw/zinc/55/63/75/565556375.db2.gz KCOSLFSIDOEGOV-CQSZACIVSA-N -1 3 378.881 3.485 20 30 GGEDHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000390398624 565556456 /nfs/dbraw/zinc/55/64/56/565556456.db2.gz SAQPEEDJFWXATQ-AWEZNQCLSA-N -1 3 378.881 3.485 20 30 GGEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N(C)Cc1ccccc1 ZINC000390758679 565557874 /nfs/dbraw/zinc/55/78/74/565557874.db2.gz KHXWOVRTZRGEAN-AWEZNQCLSA-N -1 3 377.897 3.010 20 30 GGEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000191001655 565576395 /nfs/dbraw/zinc/57/63/95/565576395.db2.gz URLIGFBKBVLDNJ-CYBMUJFWSA-N -1 3 386.901 3.258 20 30 GGEDHM CC(C)[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000398173017 565576401 /nfs/dbraw/zinc/57/64/01/565576401.db2.gz PIBBOQBMMUCOQN-KRWDZBQOSA-N -1 3 377.535 3.055 20 30 GGEDHM CC(C)[C@@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000398173021 565577105 /nfs/dbraw/zinc/57/71/05/565577105.db2.gz PIBBOQBMMUCOQN-QGZVFWFLSA-N -1 3 377.535 3.055 20 30 GGEDHM C[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000311000514 565579146 /nfs/dbraw/zinc/57/91/46/565579146.db2.gz JMRRMYJTYBOEER-CQSZACIVSA-N -1 3 377.897 3.010 20 30 GGEDHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000319679908 565599108 /nfs/dbraw/zinc/59/91/08/565599108.db2.gz IBPBSRQHYXOIFV-UHFFFAOYSA-N -1 3 381.251 3.439 20 30 GGEDHM N#CC(=C([O-])c1ccc(F)c(Br)c1)c1nnc2n1CCCCC2 ZINC000174008643 565606750 /nfs/dbraw/zinc/60/67/50/565606750.db2.gz UXBXWNAJEGDOQV-LLVKDONJSA-N -1 3 377.217 3.396 20 30 GGEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2coc(C3CCCCC3)n2)s1 ZINC000328738403 565641134 /nfs/dbraw/zinc/64/11/34/565641134.db2.gz KTQXTZXOVDNZHH-UHFFFAOYSA-N -1 3 383.495 3.197 20 30 GGEDHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1nc2c(s1)CCCCCC2 ZINC000329060510 565652177 /nfs/dbraw/zinc/65/21/77/565652177.db2.gz JJLGMYKGVOWBBX-UHFFFAOYSA-N -1 3 385.536 3.430 20 30 GGEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000329136669 565655983 /nfs/dbraw/zinc/65/59/83/565655983.db2.gz CXONQJHUNZBLMZ-LBPRGKRZSA-N -1 3 396.241 3.054 20 30 GGEDHM O=C(N[C@@H]1CCCOC1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000329161234 565656744 /nfs/dbraw/zinc/65/67/44/565656744.db2.gz YWWCIZLALASGIQ-CQSZACIVSA-N -1 3 386.539 3.233 20 30 GGEDHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCCOc3ccc(F)cc32)s1 ZINC000329178951 565658567 /nfs/dbraw/zinc/65/85/67/565658567.db2.gz CVYITQCKNYCVHU-GFCCVEGCSA-N -1 3 385.442 3.082 20 30 GGEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)sc1C ZINC000410148774 565667543 /nfs/dbraw/zinc/66/75/43/565667543.db2.gz SIQFKKRLZKDQIN-UHFFFAOYSA-N -1 3 375.397 3.129 20 30 GGEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCCCC23CCCC3)s1 ZINC000329608891 565672998 /nfs/dbraw/zinc/67/29/98/565672998.db2.gz ITGQHDVHMZHBMW-AWEZNQCLSA-N -1 3 385.555 3.163 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000192269966 565675033 /nfs/dbraw/zinc/67/50/33/565675033.db2.gz VWSQRFMZMGVBSO-YJBOKZPZSA-N -1 3 376.865 3.268 20 30 GGEDHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3cccc(Cl)c3C#N)nc21 ZINC000410324791 565676778 /nfs/dbraw/zinc/67/67/78/565676778.db2.gz UQCMYZKQAGDEHD-UHFFFAOYSA-N -1 3 375.837 3.182 20 30 GGEDHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3cc(C#N)ccc3Cl)nc21 ZINC000410324399 565676996 /nfs/dbraw/zinc/67/69/96/565676996.db2.gz RKLDRHBKFYUGMT-UHFFFAOYSA-N -1 3 375.837 3.182 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C)=C(Br)C1 ZINC000280841631 565698906 /nfs/dbraw/zinc/69/89/06/565698906.db2.gz QIYXWACSCRLWOK-UHFFFAOYSA-N -1 3 378.270 3.110 20 30 GGEDHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc(C#N)cs1 ZINC000175879585 565731018 /nfs/dbraw/zinc/73/10/18/565731018.db2.gz RZKBBTYOTWHEFM-UHFFFAOYSA-N -1 3 389.380 3.262 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1nccs1 ZINC000282682587 565791232 /nfs/dbraw/zinc/79/12/32/565791232.db2.gz ORPQYOZFZBAJBW-UHFFFAOYSA-N -1 3 375.397 3.247 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)cn1 ZINC000194237045 565803528 /nfs/dbraw/zinc/80/35/28/565803528.db2.gz OCJUKVVVNAKUOU-UHFFFAOYSA-N -1 3 378.251 3.005 20 30 GGEDHM N#Cc1csc(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)c1 ZINC000177004309 565821654 /nfs/dbraw/zinc/82/16/54/565821654.db2.gz AOVAKISNNYMFQR-UHFFFAOYSA-N -1 3 388.250 3.274 20 30 GGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2cc(C#N)cs2)ccc1F ZINC000177092256 565827434 /nfs/dbraw/zinc/82/74/34/565827434.db2.gz KXVREAWJHFTUNX-UHFFFAOYSA-N -1 3 381.454 3.088 20 30 GGEDHM N#Cc1ccc(I)c(OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000413003092 565829445 /nfs/dbraw/zinc/82/94/45/565829445.db2.gz HCWKUNDQPFUORE-UHFFFAOYSA-N -1 3 393.184 3.115 20 30 GGEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194804253 565838139 /nfs/dbraw/zinc/83/81/39/565838139.db2.gz RCBIEJDPRRCJSS-SECBINFHSA-N -1 3 385.205 3.438 20 30 GGEDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000177666290 565865628 /nfs/dbraw/zinc/86/56/28/565865628.db2.gz JFNRBHZTBXCGBB-UHFFFAOYSA-N -1 3 375.397 3.074 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3cn(C4CCCC4)nc32)s1 ZINC000333247060 565874135 /nfs/dbraw/zinc/87/41/35/565874135.db2.gz JNHPWSNRXOXISC-HNNXBMFYSA-N -1 3 376.507 3.287 20 30 GGEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000285144462 565890599 /nfs/dbraw/zinc/89/05/99/565890599.db2.gz QZGDRIJWQISQRF-LLVKDONJSA-N -1 3 383.720 3.026 20 30 GGEDHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)CC1 ZINC000414378462 565918728 /nfs/dbraw/zinc/91/87/28/565918728.db2.gz ZDXODJSJLZTUIK-ZDUSSCGKSA-N -1 3 382.507 3.308 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1ccc(Br)s1 ZINC000178503476 565921725 /nfs/dbraw/zinc/92/17/25/565921725.db2.gz UHVUKZYABQKKHQ-UHFFFAOYSA-N -1 3 389.271 3.042 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1nc2c(s1)CCCC2 ZINC000178530558 565924255 /nfs/dbraw/zinc/92/42/55/565924255.db2.gz JGBLANSEIRWXLW-UHFFFAOYSA-N -1 3 381.910 3.068 20 30 GGEDHM Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c1C#N ZINC000178594808 565928148 /nfs/dbraw/zinc/92/81/48/565928148.db2.gz SQDKNVVPRQRZST-UHFFFAOYSA-N -1 3 378.837 3.482 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cc(Br)cc2F)s1 ZINC000230341714 565928352 /nfs/dbraw/zinc/92/83/52/565928352.db2.gz MTOHFWROXVVQPZ-UHFFFAOYSA-N -1 3 379.207 3.461 20 30 GGEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414447820 565934678 /nfs/dbraw/zinc/93/46/78/565934678.db2.gz XZROFJYRELTGBK-CYBMUJFWSA-N -1 3 379.360 3.220 20 30 GGEDHM C=C[C@H](CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000179513833 565985479 /nfs/dbraw/zinc/98/54/79/565985479.db2.gz QVPNFRIMEBPYTC-CYBMUJFWSA-N -1 3 398.937 3.156 20 30 GGEDHM O=C(CN[C@H](c1ccccc1OC(F)F)C(F)(F)F)[N-]CC(F)(F)F ZINC000179916623 566018630 /nfs/dbraw/zinc/01/86/30/566018630.db2.gz CDESPXPYBHUVCI-SNVBAGLBSA-N -1 3 380.235 3.160 20 30 GGEDHM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000180142638 566036283 /nfs/dbraw/zinc/03/62/83/566036283.db2.gz JSEBABXDGNKKOB-CZUORRHYSA-N -1 3 378.881 3.045 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)c(Cl)c1 ZINC000180144342 566036381 /nfs/dbraw/zinc/03/63/81/566036381.db2.gz WETCCPYAAIWQMF-UHFFFAOYSA-N -1 3 390.877 3.209 20 30 GGEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000416495225 566076549 /nfs/dbraw/zinc/07/65/49/566076549.db2.gz MHTOVVUPWRZBHT-JTQLQIEISA-N -1 3 379.226 3.034 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOCC2CCCC2)c(C(F)(F)F)c1 ZINC000416501543 566078099 /nfs/dbraw/zinc/07/80/99/566078099.db2.gz IAZGWANFFFVXMI-UHFFFAOYSA-N -1 3 376.400 3.062 20 30 GGEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCC1CC(F)(F)C1 ZINC000416502582 566078239 /nfs/dbraw/zinc/07/82/39/566078239.db2.gz QSYNHPHCKUTMND-UHFFFAOYSA-N -1 3 379.226 3.034 20 30 GGEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)CC(F)(F)F ZINC000416595528 566092422 /nfs/dbraw/zinc/09/24/22/566092422.db2.gz FBKLBWQNPQQNEW-MRVPVSSYSA-N -1 3 385.205 3.188 20 30 GGEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000180849883 566094580 /nfs/dbraw/zinc/09/45/80/566094580.db2.gz SVKWICGCNNMHIN-ZDUSSCGKSA-N -1 3 392.518 3.001 20 30 GGEDHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)CC(F)(F)F ZINC000416607530 566094805 /nfs/dbraw/zinc/09/48/05/566094805.db2.gz PUOJZVVBVOJCTL-QMMMGPOBSA-N -1 3 385.205 3.188 20 30 GGEDHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000416635889 566098519 /nfs/dbraw/zinc/09/85/19/566098519.db2.gz QMXAZJFGIRJBBV-OAHLLOKOSA-N -1 3 379.503 3.309 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000181598776 566151449 /nfs/dbraw/zinc/15/14/49/566151449.db2.gz FJRKQJUARZBENU-NVXWUHKLSA-N -1 3 380.828 3.159 20 30 GGEDHM C=C[C@H](CCC(=O)[O-])NCc1cn(-c2ccc(Br)cc2)nc1C ZINC000417624586 566167912 /nfs/dbraw/zinc/16/79/12/566167912.db2.gz KLHWYNXQJKLIPT-OAHLLOKOSA-N -1 3 378.270 3.452 20 30 GGEDHM C=CCOc1c(Br)cc(CN[C@@H]2C=C[C@H](C(=O)[O-])C2)cc1OC ZINC000417621948 566168674 /nfs/dbraw/zinc/16/86/74/566168674.db2.gz NSRWYKKFLRUSPO-QWHCGFSZSA-N -1 3 382.254 3.141 20 30 GGEDHM C=CCOc1c(Br)cc(CN[C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1OC ZINC000417621946 566168965 /nfs/dbraw/zinc/16/89/65/566168965.db2.gz NSRWYKKFLRUSPO-CHWSQXEVSA-N -1 3 382.254 3.141 20 30 GGEDHM C[C@H](C(=O)[O-])[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Br)cc1 ZINC000417643180 566169264 /nfs/dbraw/zinc/16/92/64/566169264.db2.gz ZDPUMAWDSCYATC-ZBEGNZNMSA-N -1 3 376.254 3.211 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3)C2)c(Cl)c1 ZINC000183534139 566248446 /nfs/dbraw/zinc/24/84/46/566248446.db2.gz AWBIMICAYVSENZ-HNNXBMFYSA-N -1 3 375.881 3.016 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420713948 566306715 /nfs/dbraw/zinc/30/67/15/566306715.db2.gz YSOXXAYASPZCIN-HZMBPMFUSA-N -1 3 381.828 3.201 20 30 GGEDHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(Cl)cc1CC#N ZINC000421164704 566351718 /nfs/dbraw/zinc/35/17/18/566351718.db2.gz KVXXCTYHOTWCOA-QGZVFWFLSA-N -1 3 378.881 3.405 20 30 GGEDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000536124958 566353221 /nfs/dbraw/zinc/35/32/21/566353221.db2.gz BOIZJCJXPVAXLW-DIFFPNOSSA-N -1 3 382.844 3.405 20 30 GGEDHM C=CCOc1c(Br)cc(CNC2([C@H](C)C(=O)[O-])CC2)cc1OC ZINC000649509387 566369278 /nfs/dbraw/zinc/36/92/78/566369278.db2.gz YFJDFRMOOZGPFF-LLVKDONJSA-N -1 3 384.270 3.365 20 30 GGEDHM N#CCCC1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000576757720 566375741 /nfs/dbraw/zinc/37/57/41/566375741.db2.gz SIRZUCLBEDRZGP-UHFFFAOYSA-N -1 3 388.265 3.447 20 30 GGEDHM CC[C@H](C)N[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000510434456 566382472 /nfs/dbraw/zinc/38/24/72/566382472.db2.gz DLRCKQUDUUPXCV-WFASDCNBSA-N -1 3 381.885 3.212 20 30 GGEDHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000510434451 566382616 /nfs/dbraw/zinc/38/26/16/566382616.db2.gz DLRCKQUDUUPXCV-DOMZBBRYSA-N -1 3 381.885 3.212 20 30 GGEDHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000510432489 566383182 /nfs/dbraw/zinc/38/31/82/566383182.db2.gz TZKDOIGUYKTHOJ-SWLSCSKDSA-N -1 3 381.885 3.212 20 30 GGEDHM COc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1Br ZINC000626302696 566398864 /nfs/dbraw/zinc/39/88/64/566398864.db2.gz KVLIXQYVKUCEDV-GFCCVEGCSA-N -1 3 389.253 3.266 20 30 GGEDHM N#CC1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CCCCC1 ZINC000421684707 566402111 /nfs/dbraw/zinc/40/21/11/566402111.db2.gz YZAASKNEDJZODH-UHFFFAOYSA-N -1 3 379.180 3.042 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1CC#N)c1nc(C(F)(F)F)cs1 ZINC000601406215 566404770 /nfs/dbraw/zinc/40/47/70/566404770.db2.gz ZCYMMUJZNRHVPE-SECBINFHSA-N -1 3 375.397 3.267 20 30 GGEDHM C=CCn1cc(C(=O)[N-]c2ccc(Cl)cc2SCCC(=O)OC)nn1 ZINC000601700367 566418915 /nfs/dbraw/zinc/41/89/15/566418915.db2.gz RDKALKHCHPPTDK-UHFFFAOYSA-N -1 3 380.857 3.025 20 30 GGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000537181821 566427846 /nfs/dbraw/zinc/42/78/46/566427846.db2.gz NNFRXAOGERFYCB-LLVKDONJSA-N -1 3 390.299 3.259 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000557859276 566430407 /nfs/dbraw/zinc/43/04/07/566430407.db2.gz UZRUFXIIAKBOAX-HNNXBMFYSA-N -1 3 385.272 3.267 20 30 GGEDHM COc1cccc(C2(C[N-]S(=O)(=O)c3cccc(Cl)c3C#N)CC2)c1 ZINC000577562914 566445881 /nfs/dbraw/zinc/44/58/81/566445881.db2.gz VUACLDXKVOXMDZ-UHFFFAOYSA-N -1 3 376.865 3.230 20 30 GGEDHM C[C@H](Sc1cccc(F)c1C#N)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000577692402 566456553 /nfs/dbraw/zinc/45/65/53/566456553.db2.gz JNVDTBWYGWGRDQ-NSHDSACASA-N -1 3 378.450 3.432 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)cc1Br ZINC000511363080 566458640 /nfs/dbraw/zinc/45/86/40/566458640.db2.gz QTSXULFVXLGCKZ-UHFFFAOYSA-N -1 3 397.216 3.332 20 30 GGEDHM CN(C)c1nc2cc(C(=O)N[O-])sc2n1-c1ccc(Br)cc1 ZINC000671995613 566461039 /nfs/dbraw/zinc/46/10/39/566461039.db2.gz HZMUZZSMIQTFPU-UHFFFAOYSA-N -1 3 381.255 3.035 20 30 GGEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1cccs1 ZINC000558440010 566472879 /nfs/dbraw/zinc/47/28/79/566472879.db2.gz AGAPIFKLIZPZAW-HNNXBMFYSA-N -1 3 384.910 3.311 20 30 GGEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000464414701 566473410 /nfs/dbraw/zinc/47/34/10/566473410.db2.gz NIVIVIZHMQYDAM-CQSZACIVSA-N -1 3 393.278 3.203 20 30 GGEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000464415370 566474214 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GGEDHM N#Cc1cccc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000561292647 566692073 /nfs/dbraw/zinc/69/20/73/566692073.db2.gz GWEZTSRHBZIHNQ-UHFFFAOYSA-N -1 3 377.809 3.087 20 30 GGEDHM CC#CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000580596033 566706972 /nfs/dbraw/zinc/70/69/72/566706972.db2.gz JQIHESMNCFZVEE-UHFFFAOYSA-N -1 3 376.865 3.236 20 30 GGEDHM C=CCn1c(=O)[n-]nc1SC[C@H](COC)c1ccc(Br)cc1 ZINC000450870427 566713524 /nfs/dbraw/zinc/71/35/24/566713524.db2.gz LSYFVDPRHDPSGJ-LBPRGKRZSA-N -1 3 384.299 3.455 20 30 GGEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000561563061 566721912 /nfs/dbraw/zinc/72/19/12/566721912.db2.gz SBXSETRTQYEQPV-UHFFFAOYSA-N -1 3 393.278 3.205 20 30 GGEDHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(C#N)CCC(C(C)(C)C)CC2)s1 ZINC000468929815 566745341 /nfs/dbraw/zinc/74/53/41/566745341.db2.gz LJIKBBAWGHZZRM-UHFFFAOYSA-N -1 3 384.523 3.312 20 30 GGEDHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(CC#N)cc2Cl)CCCCC1 ZINC000451060087 566745880 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C=CCOc1c(Br)cc(CNCc2cnc(C)[n-]c2=O)cc1OC ZINC000542310736 566791022 /nfs/dbraw/zinc/79/10/22/566791022.db2.gz AYYUISUJSZJNFQ-UHFFFAOYSA-N -1 3 394.269 3.116 20 30 GGEDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)cs1 ZINC000451309539 566793508 /nfs/dbraw/zinc/79/35/08/566793508.db2.gz WZDWZHFVLOZJQK-JTQLQIEISA-N -1 3 385.898 3.048 20 30 GGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000427757383 566794117 /nfs/dbraw/zinc/79/41/17/566794117.db2.gz YPUWUEUNNBUINA-YGRLFVJLSA-N -1 3 380.363 3.475 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000581704962 566800473 /nfs/dbraw/zinc/80/04/73/566800473.db2.gz USQGLFYUKQOGCY-APPDUMDISA-N -1 3 391.265 3.002 20 30 GGEDHM CCN(CCC#N)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469577205 566801055 /nfs/dbraw/zinc/80/10/55/566801055.db2.gz VZEHKOYCDCRHDB-UHFFFAOYSA-N -1 3 382.645 3.320 20 30 GGEDHM CCN(CCC#N)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469577205 566801057 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Cc1cc(C(C#N)=C([O-])c2csc(I)c2)nc(C)n1 ZINC000517426695 566825753 /nfs/dbraw/zinc/82/57/53/566825753.db2.gz HBJLFWFVXWGGJI-JTQLQIEISA-N -1 3 383.214 3.250 20 30 GGEDHM N#CCc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)c(Cl)c1 ZINC000451492680 566826896 /nfs/dbraw/zinc/82/68/96/566826896.db2.gz DNVFTXQACREUEX-CHWSQXEVSA-N -1 3 378.828 3.235 20 30 GGEDHM C[C@H](CCc1ccc(Br)cc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428247054 566827104 /nfs/dbraw/zinc/82/71/04/566827104.db2.gz IUTXHNDVHLHCPS-GFCCVEGCSA-N -1 3 394.294 3.015 20 30 GGEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000517520539 566830138 /nfs/dbraw/zinc/83/01/38/566830138.db2.gz LNRMUXGJACUQPZ-JTQLQIEISA-N -1 3 381.504 3.042 20 30 GGEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)c1 ZINC000610471812 566833116 /nfs/dbraw/zinc/83/31/16/566833116.db2.gz SMOPYCJVDLYKOG-LLVKDONJSA-N -1 3 395.278 3.369 20 30 GGEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)cc1 ZINC000518003307 566859864 /nfs/dbraw/zinc/85/98/64/566859864.db2.gz QAIQPODOLWZSAS-UHFFFAOYSA-N -1 3 377.878 3.441 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1OCCc2sccc21 ZINC000490525756 566860900 /nfs/dbraw/zinc/86/09/00/566860900.db2.gz DOAKDFHCYRDVFF-HWPZZCPQSA-N -1 3 382.894 3.254 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1OCCc2sccc21 ZINC000490540909 566863153 /nfs/dbraw/zinc/86/31/53/566863153.db2.gz CDABBYVERCFAFA-HWPZZCPQSA-N -1 3 382.894 3.254 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)c(F)c1 ZINC000563325786 566876456 /nfs/dbraw/zinc/87/64/56/566876456.db2.gz KYJIVVNNHQEZSJ-UHFFFAOYSA-N -1 3 390.770 3.431 20 30 GGEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 ZINC000518320407 566877027 /nfs/dbraw/zinc/87/70/27/566877027.db2.gz KDIVNCSQKZZJMT-OAHLLOKOSA-N -1 3 398.271 3.360 20 30 GGEDHM N#CCC1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC000543415018 566878974 /nfs/dbraw/zinc/87/89/74/566878974.db2.gz WBSVPMFNNJDICV-UHFFFAOYSA-N -1 3 397.216 3.440 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1c[nH]c2cc(Cl)ccc12 ZINC000611025071 566883529 /nfs/dbraw/zinc/88/35/29/566883529.db2.gz AWVKIBSWLZKOJB-UHFFFAOYSA-N -1 3 377.828 3.353 20 30 GGEDHM COc1ccc2c(c1)OCC[C@@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611025028 566883617 /nfs/dbraw/zinc/88/36/17/566883617.db2.gz ZODZBIOGWQKLLM-HNNXBMFYSA-N -1 3 378.837 3.022 20 30 GGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000611017959 566884045 /nfs/dbraw/zinc/88/40/45/566884045.db2.gz VGDPVWJENRKGBJ-UHFFFAOYSA-N -1 3 386.216 3.252 20 30 GGEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000611024287 566884399 /nfs/dbraw/zinc/88/43/99/566884399.db2.gz UWQCQANVNULJAQ-NSHDSACASA-N -1 3 378.837 3.038 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)cc1Br ZINC000451819895 566887327 /nfs/dbraw/zinc/88/73/27/566887327.db2.gz CBZADDDWURFJIM-SNVBAGLBSA-N -1 3 379.226 3.034 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000451831648 566890836 /nfs/dbraw/zinc/89/08/36/566890836.db2.gz ZXSMUCWBGPLQGN-VIFPVBQESA-N -1 3 379.226 3.034 20 30 GGEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccccc2Br)c1 ZINC000611112239 566891560 /nfs/dbraw/zinc/89/15/60/566891560.db2.gz QYTDYAYAVCIVCG-OAHLLOKOSA-N -1 3 388.221 3.108 20 30 GGEDHM CCOC(=O)c1sc([N-]C(=O)c2sc(COC)nc2C)c(C#N)c1C ZINC000611157737 566894894 /nfs/dbraw/zinc/89/48/94/566894894.db2.gz RKZGIQKAIASREM-UHFFFAOYSA-N -1 3 379.463 3.269 20 30 GGEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nccs1 ZINC000543667932 566899288 /nfs/dbraw/zinc/89/92/88/566899288.db2.gz PBKNUBUMYAQBEM-SECBINFHSA-N -1 3 375.397 3.116 20 30 GGEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000451904768 566904678 /nfs/dbraw/zinc/90/46/78/566904678.db2.gz BEYIOZLUTFTJNB-NEPJUHHUSA-N -1 3 380.691 3.114 20 30 GGEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000451909331 566904863 /nfs/dbraw/zinc/90/48/63/566904863.db2.gz LFJMDGMONGNUSW-NEPJUHHUSA-N -1 3 380.691 3.114 20 30 GGEDHM C=CCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000470822993 566906145 /nfs/dbraw/zinc/90/61/45/566906145.db2.gz WCSWIHRHXPHEES-SECBINFHSA-N -1 3 383.271 3.052 20 30 GGEDHM C=CCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000470816766 566906320 /nfs/dbraw/zinc/90/63/20/566906320.db2.gz KUNKPGNJTBZAGI-SECBINFHSA-N -1 3 383.271 3.052 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c(Cl)c1 ZINC000611539873 566925563 /nfs/dbraw/zinc/92/55/63/566925563.db2.gz FYSMUWUMNUJJOA-UHFFFAOYSA-N -1 3 378.734 3.247 20 30 GGEDHM C[C@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC2CCCCC2)cc1 ZINC000519521691 566945579 /nfs/dbraw/zinc/94/55/79/566945579.db2.gz DQVISINHOHMRMF-CQSZACIVSA-N -1 3 384.523 3.084 20 30 GGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000583537902 566959668 /nfs/dbraw/zinc/95/96/68/566959668.db2.gz MVBFBWREEWEDTB-LBPRGKRZSA-N -1 3 397.747 3.416 20 30 GGEDHM COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C2 ZINC000612143747 566955986 /nfs/dbraw/zinc/95/59/86/566955986.db2.gz IIIBNDVQHWFVJR-MRXNPFEDSA-N -1 3 376.865 3.056 20 30 GGEDHM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C2 ZINC000612143704 566956165 /nfs/dbraw/zinc/95/61/65/566956165.db2.gz GAASPQQSKXFJJI-HNNXBMFYSA-N -1 3 376.865 3.056 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c1 ZINC000429879400 566963220 /nfs/dbraw/zinc/96/32/20/566963220.db2.gz YHWCLWLTIUBIBB-UHFFFAOYSA-N -1 3 378.734 3.247 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)cc1Br ZINC000429907114 566966447 /nfs/dbraw/zinc/96/64/47/566966447.db2.gz BHMNMPAYENQMLL-SECBINFHSA-N -1 3 379.226 3.034 20 30 GGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000544710323 566985548 /nfs/dbraw/zinc/98/55/48/566985548.db2.gz UZRHUTHKMCJWBX-JTQLQIEISA-N -1 3 378.288 3.099 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(F)cc1Br ZINC000494342455 566990678 /nfs/dbraw/zinc/99/06/78/566990678.db2.gz XUAYJOFGNZIMKC-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM C=CCC[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000657077593 567010666 /nfs/dbraw/zinc/01/06/66/567010666.db2.gz VCHGNWJFMTZFMR-UHFFFAOYSA-N -1 3 383.105 3.374 20 30 GGEDHM C=CCC1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCOCC1 ZINC000657129534 567020288 /nfs/dbraw/zinc/02/02/88/567020288.db2.gz RXMMGNQMJUFKPE-UHFFFAOYSA-N -1 3 383.363 3.128 20 30 GGEDHM C=CCC1([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CCOCC1 ZINC000657128434 567020804 /nfs/dbraw/zinc/02/08/04/567020804.db2.gz WNMLJOSZMLVRRQ-UHFFFAOYSA-N -1 3 380.293 3.406 20 30 GGEDHM C=CCCOCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430592942 567023472 /nfs/dbraw/zinc/02/34/72/567023472.db2.gz RGIPOAFNUMODCB-UHFFFAOYSA-N -1 3 399.672 3.267 20 30 GGEDHM C=CCCOCCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430592942 567023481 /nfs/dbraw/zinc/02/34/81/567023481.db2.gz RGIPOAFNUMODCB-UHFFFAOYSA-N -1 3 399.672 3.267 20 30 GGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cnn(Cc2cc(F)ccc2Cl)c1 ZINC000584414279 567042509 /nfs/dbraw/zinc/04/25/09/567042509.db2.gz NWGBTJRAFHXXMT-UHFFFAOYSA-N -1 3 384.864 3.405 20 30 GGEDHM N#Cc1cncc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)c1 ZINC000584501962 567049060 /nfs/dbraw/zinc/04/90/60/567049060.db2.gz DEFFZINCRNSQHL-UHFFFAOYSA-N -1 3 390.621 3.309 20 30 GGEDHM N#CC(=C([O-])c1ccc(Cl)c(I)c1)c1ccncn1 ZINC000545446328 567050441 /nfs/dbraw/zinc/05/04/41/567050441.db2.gz BBXHOSHVYMFHCV-VIFPVBQESA-N -1 3 383.576 3.225 20 30 GGEDHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000584552272 567053471 /nfs/dbraw/zinc/05/34/71/567053471.db2.gz UPJXRCQXWHLRCV-HWPZZCPQSA-N -1 3 393.262 3.121 20 30 GGEDHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1Cl ZINC000431178567 567063897 /nfs/dbraw/zinc/06/38/97/567063897.db2.gz AOWUMFNXTVHBQA-UHFFFAOYSA-N -1 3 385.228 3.452 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000565410630 567065052 /nfs/dbraw/zinc/06/50/52/567065052.db2.gz VPISNYLBQHXUAW-ZIAGYGMSSA-N -1 3 382.894 3.472 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(I)c2C)nc(C)n1 ZINC000473171795 567067912 /nfs/dbraw/zinc/06/79/12/567067912.db2.gz RFTVIAWBFLNBFU-CYBMUJFWSA-N -1 3 391.212 3.497 20 30 GGEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1 ZINC000521604560 567069599 /nfs/dbraw/zinc/06/95/99/567069599.db2.gz JEAKSOOWKRRIDH-AWEZNQCLSA-N -1 3 398.271 3.360 20 30 GGEDHM COc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000613917486 567071081 /nfs/dbraw/zinc/07/10/81/567071081.db2.gz BCAUPSZKSDWHON-AWEZNQCLSA-N -1 3 378.837 3.022 20 30 GGEDHM C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000473376200 567076716 /nfs/dbraw/zinc/07/67/16/567076716.db2.gz HFQJUUNJBAWZRW-OAHLLOKOSA-N -1 3 378.519 3.020 20 30 GGEDHM C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000473376199 567076865 /nfs/dbraw/zinc/07/68/65/567076865.db2.gz HFQJUUNJBAWZRW-HNNXBMFYSA-N -1 3 378.519 3.020 20 30 GGEDHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000473485690 567085130 /nfs/dbraw/zinc/08/51/30/567085130.db2.gz BTEBKWDLFLHAKI-UHFFFAOYSA-N -1 3 378.837 3.498 20 30 GGEDHM C=CCc1ccccc1OC[C@H](O)CNCc1ccc([O-])c(Br)c1 ZINC000521995671 567092107 /nfs/dbraw/zinc/09/21/07/567092107.db2.gz NOUNGSLCBYMPMM-MRXNPFEDSA-N -1 3 392.293 3.413 20 30 GGEDHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000565766450 567097481 /nfs/dbraw/zinc/09/74/81/567097481.db2.gz JNGUPKQQMZAQLB-QWRGUYRKSA-N -1 3 389.340 3.273 20 30 GGEDHM N#Cc1cccc(F)c1CC(=O)Nc1cc(I)ccc1[O-] ZINC000586802072 567098586 /nfs/dbraw/zinc/09/85/86/567098586.db2.gz ZHBFYUARXRQTAK-UHFFFAOYSA-N -1 3 396.159 3.189 20 30 GGEDHM C=CCCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000473714259 567098569 /nfs/dbraw/zinc/09/85/69/567098569.db2.gz IRJIYZRWCKPVRQ-UHFFFAOYSA-N -1 3 379.404 3.005 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000546072860 567102368 /nfs/dbraw/zinc/10/23/68/567102368.db2.gz FCQXHAQZYKAIEE-HOTGVXAUSA-N -1 3 386.876 3.312 20 30 GGEDHM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588121530 567115612 /nfs/dbraw/zinc/11/56/12/567115612.db2.gz XXEYYRKIQBOCJH-NSHDSACASA-N -1 3 380.267 3.064 20 30 GGEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000614557948 567121288 /nfs/dbraw/zinc/12/12/88/567121288.db2.gz NEDAZGAAOOSAEK-AWEZNQCLSA-N -1 3 386.901 3.116 20 30 GGEDHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cs1 ZINC000497933909 567132449 /nfs/dbraw/zinc/13/24/49/567132449.db2.gz NRMQNVBBBJFVOL-UHFFFAOYSA-N -1 3 383.926 3.487 20 30 GGEDHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cs1 ZINC000497951024 567135850 /nfs/dbraw/zinc/13/58/50/567135850.db2.gz KJMYFDMOBCLRPK-UHFFFAOYSA-N -1 3 383.926 3.487 20 30 GGEDHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000614856877 567143552 /nfs/dbraw/zinc/14/35/52/567143552.db2.gz QFAXLXNXIPAJTK-UHFFFAOYSA-N -1 3 385.205 3.330 20 30 GGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000432270679 567144076 /nfs/dbraw/zinc/14/40/76/567144076.db2.gz MGAQKHNKLODGGS-UHFFFAOYSA-N -1 3 375.874 3.016 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccccc1 ZINC000589122303 567157308 /nfs/dbraw/zinc/15/73/08/567157308.db2.gz MBAYXXGWWXRVAN-JTQLQIEISA-N -1 3 383.242 3.499 20 30 GGEDHM C[C@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000523565775 567161992 /nfs/dbraw/zinc/16/19/92/567161992.db2.gz DKUKOHZBRIRYAG-LLVKDONJSA-N -1 3 397.269 3.369 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Br)c(F)c1 ZINC000523569502 567162403 /nfs/dbraw/zinc/16/24/03/567162403.db2.gz ZGMSOCBEMQJZOY-OAHLLOKOSA-N -1 3 395.253 3.426 20 30 GGEDHM Cc1cc(I)cc(C([O-])=C(C#N)c2ccncn2)c1C ZINC000546858941 567165111 /nfs/dbraw/zinc/16/51/11/567165111.db2.gz UMGVQHNSYRBWPE-ZDUSSCGKSA-N -1 3 377.185 3.188 20 30 GGEDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000546884557 567168758 /nfs/dbraw/zinc/16/87/58/567168758.db2.gz NFEJFVFKIWOVQQ-JTQLQIEISA-N -1 3 385.205 3.330 20 30 GGEDHM N#Cc1cccc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)n1 ZINC000589372492 567176795 /nfs/dbraw/zinc/17/67/95/567176795.db2.gz NUOQVFAKKIABTI-UHFFFAOYSA-N -1 3 394.192 3.218 20 30 GGEDHM N#Cc1cccc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)n1 ZINC000589372492 567176805 /nfs/dbraw/zinc/17/68/05/567176805.db2.gz NUOQVFAKKIABTI-UHFFFAOYSA-N -1 3 394.192 3.218 20 30 GGEDHM N#Cc1cccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)n1 ZINC000589372492 567176815 /nfs/dbraw/zinc/17/68/15/567176815.db2.gz NUOQVFAKKIABTI-UHFFFAOYSA-N -1 3 394.192 3.218 20 30 GGEDHM N#Cc1cccc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)n1 ZINC000589409902 567178798 /nfs/dbraw/zinc/17/87/98/567178798.db2.gz QFRLEGRYIUCFJI-UHFFFAOYSA-N -1 3 386.234 3.487 20 30 GGEDHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000524150214 567185501 /nfs/dbraw/zinc/18/55/01/567185501.db2.gz WFXDFWZMWUXGRC-DIFFPNOSSA-N -1 3 382.844 3.405 20 30 GGEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1C ZINC000589591279 567185602 /nfs/dbraw/zinc/18/56/02/567185602.db2.gz LYTXOGXJXIEMBY-UHFFFAOYSA-N -1 3 378.837 3.302 20 30 GGEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000524200394 567186669 /nfs/dbraw/zinc/18/66/69/567186669.db2.gz KZYAEABOUHGHRX-ADLMAVQZSA-N -1 3 388.265 3.493 20 30 GGEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C ZINC000589976973 567200971 /nfs/dbraw/zinc/20/09/71/567200971.db2.gz UDTIGKHZZIXATO-UHFFFAOYSA-N -1 3 382.800 3.247 20 30 GGEDHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000475596537 567260429 /nfs/dbraw/zinc/26/04/29/567260429.db2.gz QCHCDFYJVXCPMZ-UHFFFAOYSA-N -1 3 376.865 3.230 20 30 GGEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000660143283 567270900 /nfs/dbraw/zinc/27/09/00/567270900.db2.gz UQANSVRRCBOSTC-UHFFFAOYSA-N -1 3 392.315 3.489 20 30 GGEDHM COC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCCCC1 ZINC000476190125 567303765 /nfs/dbraw/zinc/30/37/65/567303765.db2.gz JVWSPQIBSHXURL-UHFFFAOYSA-N -1 3 376.400 3.205 20 30 GGEDHM COC(=O)CC1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCCC1 ZINC000476216164 567305855 /nfs/dbraw/zinc/30/58/55/567305855.db2.gz JNVRVGSWMZBESJ-UHFFFAOYSA-N -1 3 384.885 3.004 20 30 GGEDHM N#Cc1cccnc1OC1CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000527076378 567311573 /nfs/dbraw/zinc/31/15/73/567311573.db2.gz OMLLALBWBUDAPW-UHFFFAOYSA-N -1 3 397.909 3.337 20 30 GGEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCCC1 ZINC000476319491 567314469 /nfs/dbraw/zinc/31/44/69/567314469.db2.gz KMTJKEJRNIKLJR-OAHLLOKOSA-N -1 3 384.885 3.002 20 30 GGEDHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000476506753 567330231 /nfs/dbraw/zinc/33/02/31/567330231.db2.gz MKZZRCRSYOAKIZ-NVXWUHKLSA-N -1 3 376.865 3.445 20 30 GGEDHM CCCCCn1cc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C)n1 ZINC000476534154 567333483 /nfs/dbraw/zinc/33/34/83/567333483.db2.gz MQAZRAHAFRRXLK-UHFFFAOYSA-N -1 3 380.901 3.385 20 30 GGEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000592382193 567333615 /nfs/dbraw/zinc/33/36/15/567333615.db2.gz LMEMYTWAFNXKSD-LBPRGKRZSA-N -1 3 379.707 3.460 20 30 GGEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccs1 ZINC000568567549 567338985 /nfs/dbraw/zinc/33/89/85/567338985.db2.gz QRRXBEYJTYBIAJ-HNNXBMFYSA-N -1 3 384.910 3.311 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCO[C@@H]2CCCc3ccccc32)s1 ZINC000435421521 567361052 /nfs/dbraw/zinc/36/10/52/567361052.db2.gz JSVWYZVEKIQZCC-QGZVFWFLSA-N -1 3 376.503 3.382 20 30 GGEDHM C=C(C)CS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000435430255 567362488 /nfs/dbraw/zinc/36/24/88/567362488.db2.gz ZRXKZBQUBVSQJV-SNVBAGLBSA-N -1 3 386.271 3.056 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(OC(F)(F)F)cc2)s1 ZINC000435429630 567363171 /nfs/dbraw/zinc/36/31/71/567363171.db2.gz YIKQIIIYZWUHOU-UHFFFAOYSA-N -1 3 376.381 3.039 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(CCOCc3ccccc3)CC2)s1 ZINC000435426186 567363475 /nfs/dbraw/zinc/36/34/75/567363475.db2.gz GSBWEYXWIGXBNT-UHFFFAOYSA-N -1 3 376.503 3.285 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)cc2)s1 ZINC000435433700 567364159 /nfs/dbraw/zinc/36/41/59/567364159.db2.gz OXAXFWOJLRBOBN-QWHCGFSZSA-N -1 3 383.292 3.217 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc(Br)ccc2F)s1 ZINC000435433222 567364293 /nfs/dbraw/zinc/36/42/93/567364293.db2.gz MSOGRXTVVUFGFE-UHFFFAOYSA-N -1 3 389.271 3.042 20 30 GGEDHM C[C@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435432059 567364338 /nfs/dbraw/zinc/36/43/38/567364338.db2.gz LJKGWQWIXDQOEW-SNVBAGLBSA-N -1 3 385.308 3.292 20 30 GGEDHM CC[C@@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435436593 567365861 /nfs/dbraw/zinc/36/58/61/567365861.db2.gz GGZCGIZQRXAVGI-HNNXBMFYSA-N -1 3 385.898 3.194 20 30 GGEDHM C[C@H](COc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435435980 567366693 /nfs/dbraw/zinc/36/66/93/567366693.db2.gz CWNPZQUDKJSPTC-SNVBAGLBSA-N -1 3 390.408 3.384 20 30 GGEDHM Cc1ccc([C@@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435436031 567366899 /nfs/dbraw/zinc/36/68/99/567366899.db2.gz DHEJJISMNQZBPI-QAPCUYQASA-N -1 3 376.503 3.374 20 30 GGEDHM C[C@@H](COc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435435979 567366911 /nfs/dbraw/zinc/36/69/11/567366911.db2.gz CWNPZQUDKJSPTC-JTQLQIEISA-N -1 3 390.408 3.384 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(COCC(F)(F)F)cc2)s1 ZINC000435438105 567367915 /nfs/dbraw/zinc/36/79/15/567367915.db2.gz NDZNYKLQYBURLS-UHFFFAOYSA-N -1 3 390.408 3.177 20 30 GGEDHM CCOc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)s2)c1OC(F)F ZINC000435437386 567368533 /nfs/dbraw/zinc/36/85/33/567368533.db2.gz JPGFLSFORCWKGI-UHFFFAOYSA-N -1 3 388.417 3.098 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2nc(-c3ccncc3)cs2)s1 ZINC000435446867 567369248 /nfs/dbraw/zinc/36/92/48/567369248.db2.gz MOARLFCQSDJKHU-UHFFFAOYSA-N -1 3 390.515 3.049 20 30 GGEDHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000435443302 567369440 /nfs/dbraw/zinc/36/94/40/567369440.db2.gz NKXUYQGLTGFNIB-DOTOQJQBSA-N -1 3 376.865 3.445 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000435444369 567370089 /nfs/dbraw/zinc/37/00/89/567370089.db2.gz WMLGRQLXPXXKAZ-UKRRQHHQSA-N -1 3 386.857 3.221 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000435587488 567376957 /nfs/dbraw/zinc/37/69/57/567376957.db2.gz HBSVQJPHPWNEED-QMTHXVAHSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000435587397 567377308 /nfs/dbraw/zinc/37/73/08/567377308.db2.gz CNHXKRBYYBEQPC-HZMBPMFUSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000435590410 567377383 /nfs/dbraw/zinc/37/73/83/567377383.db2.gz VXPGEVHDXBBENB-JQWIXIFHSA-N -1 3 380.329 3.079 20 30 GGEDHM Cc1oc(C#N)cc1C(=O)[N-]c1ncn(Cc2ccc(Br)cc2)n1 ZINC000435677457 567382895 /nfs/dbraw/zinc/38/28/95/567382895.db2.gz GJFYSOWNMAKRMD-UHFFFAOYSA-N -1 3 386.209 3.114 20 30 GGEDHM Cc1oc(C#N)cc1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000435692925 567383946 /nfs/dbraw/zinc/38/39/46/567383946.db2.gz RPPAVEGYEUPXTJ-UHFFFAOYSA-N -1 3 389.184 3.426 20 30 GGEDHM COc1cc([N-]S(=O)(=O)CCC(C)(C)C#N)cc(OC)c1Br ZINC000593210862 567398604 /nfs/dbraw/zinc/39/86/04/567398604.db2.gz UVHUOCMPEOQXSD-UHFFFAOYSA-N -1 3 391.287 3.148 20 30 GGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000618604331 567402208 /nfs/dbraw/zinc/40/22/08/567402208.db2.gz JUBLCFDLKHYNAO-DOMZBBRYSA-N -1 3 376.400 3.477 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1c(C)noc1C ZINC000569444355 567405404 /nfs/dbraw/zinc/40/54/04/567405404.db2.gz YAHGBERCCJMXEJ-CYBMUJFWSA-N -1 3 398.282 3.355 20 30 GGEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000618715862 567409466 /nfs/dbraw/zinc/40/94/66/567409466.db2.gz KLATWAVUFOVAAN-OAHLLOKOSA-N -1 3 377.809 3.086 20 30 GGEDHM C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000502341475 567429134 /nfs/dbraw/zinc/42/91/34/567429134.db2.gz UBFVXXMVGSJBOY-UHFFFAOYSA-N -1 3 380.217 3.221 20 30 GGEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 ZINC000619547599 567463293 /nfs/dbraw/zinc/46/32/93/567463293.db2.gz PXOGSDWERLKKJT-CYBMUJFWSA-N -1 3 390.408 3.305 20 30 GGEDHM Cc1nccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1Cl ZINC000619709202 567474743 /nfs/dbraw/zinc/47/47/43/567474743.db2.gz UVEQJJMZIYQZPW-UHFFFAOYSA-N -1 3 375.759 3.157 20 30 GGEDHM C=CCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)CCC1 ZINC000478746251 567480980 /nfs/dbraw/zinc/48/09/80/567480980.db2.gz ZCSBILMDGDEMCU-UHFFFAOYSA-N -1 3 376.400 3.212 20 30 GGEDHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503460803 567487311 /nfs/dbraw/zinc/48/73/11/567487311.db2.gz QROFVEILLXIUOI-QZTJIDSGSA-N -1 3 376.865 3.229 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCCOc2ccc(F)cc2)c(Cl)c1 ZINC000503462266 567487622 /nfs/dbraw/zinc/48/76/22/567487622.db2.gz UFXQJLXMEHRODV-UHFFFAOYSA-N -1 3 382.844 3.488 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2)c(Cl)c1 ZINC000503475405 567487657 /nfs/dbraw/zinc/48/76/57/567487657.db2.gz ZBOKIYUZQQZHFR-CQSZACIVSA-N -1 3 396.299 3.422 20 30 GGEDHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000503481819 567489102 /nfs/dbraw/zinc/48/91/02/567489102.db2.gz BTOXRJALDVFJBQ-UHFFFAOYSA-N -1 3 376.865 3.230 20 30 GGEDHM C=CCOCCCc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000551435044 567506209 /nfs/dbraw/zinc/50/62/09/567506209.db2.gz OGPYGYPRICSSAF-UHFFFAOYSA-N -1 3 390.241 3.419 20 30 GGEDHM C=CCOCCCc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000551435044 567506215 /nfs/dbraw/zinc/50/62/15/567506215.db2.gz OGPYGYPRICSSAF-UHFFFAOYSA-N -1 3 390.241 3.419 20 30 GGEDHM C=CCOCCCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551435044 567506219 /nfs/dbraw/zinc/50/62/19/567506219.db2.gz OGPYGYPRICSSAF-UHFFFAOYSA-N -1 3 390.241 3.419 20 30 GGEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000479146908 567508989 /nfs/dbraw/zinc/50/89/89/567508989.db2.gz YKHAVTHPYUPATN-NSHDSACASA-N -1 3 386.296 3.153 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000594769137 567510382 /nfs/dbraw/zinc/51/03/82/567510382.db2.gz SICTZLWIHZLMOK-GDBMZVCRSA-N -1 3 376.503 3.317 20 30 GGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000479168811 567511386 /nfs/dbraw/zinc/51/13/86/567511386.db2.gz ZDJZBALGVSMUQQ-ZBEGNZNMSA-N -1 3 399.310 3.135 20 30 GGEDHM COCc1nc(C[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)cs1 ZINC000594779743 567511558 /nfs/dbraw/zinc/51/15/58/567511558.db2.gz RFODHMYLCKRQOP-UHFFFAOYSA-N -1 3 393.515 3.163 20 30 GGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000479168609 567511746 /nfs/dbraw/zinc/51/17/46/567511746.db2.gz ZDJZBALGVSMUQQ-BDJLRTHQSA-N -1 3 399.310 3.135 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000594783095 567512341 /nfs/dbraw/zinc/51/23/41/567512341.db2.gz BZINTPOEVGFIDF-UHFFFAOYSA-N -1 3 387.299 3.210 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C1CC1)C(C)(C)CO ZINC000594775826 567512403 /nfs/dbraw/zinc/51/24/03/567512403.db2.gz JJCPWNROETYJFB-MRXNPFEDSA-N -1 3 378.519 3.157 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1 ZINC000594785722 567513239 /nfs/dbraw/zinc/51/32/39/567513239.db2.gz RYIHAUKQINGSCI-WCQYABFASA-N -1 3 387.299 3.208 20 30 GGEDHM C=CCCSCC[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000594815547 567516031 /nfs/dbraw/zinc/51/60/31/567516031.db2.gz VRVKQLRFVSWSRO-UHFFFAOYSA-N -1 3 385.532 3.276 20 30 GGEDHM CSCC1(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000594816208 567516091 /nfs/dbraw/zinc/51/60/91/567516091.db2.gz SQCKFTJCAFWZQK-UHFFFAOYSA-N -1 3 389.340 3.132 20 30 GGEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cc(C#N)cs2)c(F)cc1F ZINC000438375829 567528180 /nfs/dbraw/zinc/52/81/80/567528180.db2.gz TZYUGRWVGBRSJP-UHFFFAOYSA-N -1 3 385.417 3.302 20 30 GGEDHM CC1(C)CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H]1C#N ZINC000571360974 567556353 /nfs/dbraw/zinc/55/63/53/567556353.db2.gz OSWDXSZTKMRDHM-INIZCTEOSA-N -1 3 388.265 3.445 20 30 GGEDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CCCC1 ZINC000595364210 567558981 /nfs/dbraw/zinc/55/89/81/567558981.db2.gz FOKJHXWMDRCKPS-CQSZACIVSA-N -1 3 376.400 3.061 20 30 GGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000571489463 567565883 /nfs/dbraw/zinc/56/58/83/567565883.db2.gz DQZYWVQDOVMUSD-GFCCVEGCSA-N -1 3 397.747 3.416 20 30 GGEDHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000479910623 567567796 /nfs/dbraw/zinc/56/77/96/567567796.db2.gz CZVXVQRKWMZJBU-GTNSWQLSSA-N -1 3 382.844 3.405 20 30 GGEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000439187401 567570010 /nfs/dbraw/zinc/57/00/10/567570010.db2.gz DYWGGJOKSMDANR-KRWDZBQOSA-N -1 3 378.881 3.250 20 30 GGEDHM C=CCCO[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000439246915 567576392 /nfs/dbraw/zinc/57/63/92/567576392.db2.gz NUFBETLAEJKEII-SECBINFHSA-N -1 3 383.221 3.293 20 30 GGEDHM COc1cccc(C2(C[N-]S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)c1 ZINC000571807190 567590761 /nfs/dbraw/zinc/59/07/61/567590761.db2.gz RYFWAVXLGPGHQU-UHFFFAOYSA-N -1 3 376.865 3.230 20 30 GGEDHM N#Cc1[n-]c(=NC2CCN(CCOc3ccc(F)cc3)CC2)sc1Cl ZINC000596157314 567612830 /nfs/dbraw/zinc/61/28/30/567612830.db2.gz YAZBZCVBOUOGCT-UHFFFAOYSA-N -1 3 380.876 3.184 20 30 GGEDHM N#C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@@]12C(=O)Nc1ccccc12 ZINC000459348552 567616747 /nfs/dbraw/zinc/61/67/47/567616747.db2.gz DPEIHLVKMWBLNA-BFUOFWGJSA-N -1 3 398.260 3.000 20 30 GGEDHM C=CCN1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000645521946 567636917 /nfs/dbraw/zinc/63/69/17/567636917.db2.gz APUQYQCTNOPEKZ-UHFFFAOYSA-N -1 3 398.834 3.167 20 30 GGEDHM COc1ccc(CN2CC(Oc3ccc(C#N)cc3)C2)c(Br)c1[O-] ZINC000459611554 567642744 /nfs/dbraw/zinc/64/27/44/567642744.db2.gz LPVUKKCDOCPUCB-UHFFFAOYSA-N -1 3 389.249 3.298 20 30 GGEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645745694 567663454 /nfs/dbraw/zinc/66/34/54/567663454.db2.gz ABMVJCHQIGVYFJ-MNOVXSKESA-N -1 3 385.791 3.251 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)cc1 ZINC000553590701 567669619 /nfs/dbraw/zinc/66/96/19/567669619.db2.gz UIKAOAVTNOZSTO-OAHLLOKOSA-N -1 3 385.272 3.267 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)CCCCC1 ZINC000481473049 567680599 /nfs/dbraw/zinc/68/05/99/567680599.db2.gz MFTHAPKZIYZDRM-AWEZNQCLSA-N -1 3 391.320 3.420 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)CCCC1 ZINC000481499349 567683325 /nfs/dbraw/zinc/68/33/25/567683325.db2.gz MGZGYJIQBDUSEM-ZDUSSCGKSA-N -1 3 377.293 3.030 20 30 GGEDHM N#Cc1sccc1N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000597182941 567686255 /nfs/dbraw/zinc/68/62/55/567686255.db2.gz FPEVXBJGORPQAH-UHFFFAOYSA-N -1 3 378.295 3.410 20 30 GGEDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)CO2 ZINC000553869994 567692895 /nfs/dbraw/zinc/69/28/95/567692895.db2.gz SOOYYZUGYQMDDD-CQSZACIVSA-N -1 3 393.262 3.041 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000573278523 567700530 /nfs/dbraw/zinc/70/05/30/567700530.db2.gz FRDPQQWRCRZYKV-LSDHHAIUSA-N -1 3 395.253 3.294 20 30 GGEDHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000507948998 567718932 /nfs/dbraw/zinc/71/89/32/567718932.db2.gz FEOLPPYCSSYTCW-UHFFFAOYSA-N -1 3 378.837 3.118 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccccc1Br ZINC000443039333 567725830 /nfs/dbraw/zinc/72/58/30/567725830.db2.gz SCHTVVDUOVDAIP-UHFFFAOYSA-N -1 3 385.670 3.453 20 30 GGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000508096284 567728744 /nfs/dbraw/zinc/72/87/44/567728744.db2.gz MRUBLICFUYMHPI-GFCCVEGCSA-N -1 3 397.747 3.416 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000443072405 567728792 /nfs/dbraw/zinc/72/87/92/567728792.db2.gz RGDVMIZUQWDQMZ-WMZOPIPTSA-N -1 3 376.865 3.410 20 30 GGEDHM C=CCCSCCNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000597970522 567730471 /nfs/dbraw/zinc/73/04/71/567730471.db2.gz RIJVLPDNPFTQAH-UHFFFAOYSA-N -1 3 396.456 3.116 20 30 GGEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1Cl ZINC000443094474 567731284 /nfs/dbraw/zinc/73/12/84/567731284.db2.gz CPOSSFUVRAMQSZ-INIZCTEOSA-N -1 3 398.315 3.446 20 30 GGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000532747485 567731513 /nfs/dbraw/zinc/73/15/13/567731513.db2.gz FLWSORIQVIZVJP-SECBINFHSA-N -1 3 385.205 3.438 20 30 GGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508114766 567731874 /nfs/dbraw/zinc/73/18/74/567731874.db2.gz FVRROOCJXPMDQF-UHFFFAOYSA-N -1 3 386.658 3.478 20 30 GGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000508127496 567732106 /nfs/dbraw/zinc/73/21/06/567732106.db2.gz ZBZAAEQVRONLLW-LBPRGKRZSA-N -1 3 397.747 3.416 20 30 GGEDHM O=C([N-]CCF)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000646635115 567733339 /nfs/dbraw/zinc/73/33/39/567733339.db2.gz WYFDGKMTUSPUTI-UHFFFAOYSA-N -1 3 378.219 3.000 20 30 GGEDHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443115497 567733982 /nfs/dbraw/zinc/73/39/82/567733982.db2.gz YLBDCPRLPVRIMG-PIGZYNQJSA-N -1 3 382.844 3.405 20 30 GGEDHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443115491 567734276 /nfs/dbraw/zinc/73/42/76/567734276.db2.gz YLBDCPRLPVRIMG-APPDUMDISA-N -1 3 382.844 3.405 20 30 GGEDHM COc1ccc(Br)c(CS(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c1 ZINC000554538864 567734435 /nfs/dbraw/zinc/73/44/35/567734435.db2.gz XARFQCVWFCPNIO-HNNXBMFYSA-N -1 3 389.315 3.205 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000443239015 567742176 /nfs/dbraw/zinc/74/21/76/567742176.db2.gz XJHRSDGAHUPUAS-UHFFFAOYSA-N -1 3 381.788 3.165 20 30 GGEDHM N#Cc1ccc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)nc1 ZINC000573882425 567742408 /nfs/dbraw/zinc/74/24/08/567742408.db2.gz LZMYFFHRXNJEMV-UHFFFAOYSA-N -1 3 394.192 3.218 20 30 GGEDHM N#Cc1ccc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)nc1 ZINC000573882425 567742411 /nfs/dbraw/zinc/74/24/11/567742411.db2.gz LZMYFFHRXNJEMV-UHFFFAOYSA-N -1 3 394.192 3.218 20 30 GGEDHM N#Cc1ccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)nc1 ZINC000573882425 567742418 /nfs/dbraw/zinc/74/24/18/567742418.db2.gz LZMYFFHRXNJEMV-UHFFFAOYSA-N -1 3 394.192 3.218 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1ccccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000443343059 567749143 /nfs/dbraw/zinc/74/91/43/567749143.db2.gz LOHRQOZNWPYZDF-UHFFFAOYSA-N -1 3 375.397 3.247 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nc(C(F)(F)F)cs1 ZINC000443346533 567750727 /nfs/dbraw/zinc/75/07/27/567750727.db2.gz WEJKFRPXWXKDKO-UHFFFAOYSA-N -1 3 393.387 3.386 20 30 GGEDHM C=CCOc1cccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000533563020 567775400 /nfs/dbraw/zinc/77/54/00/567775400.db2.gz AYTIDBNELMRRPT-UHFFFAOYSA-N -1 3 386.926 3.034 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1(c2ccccc2)CCOCC1 ZINC000533555014 567775655 /nfs/dbraw/zinc/77/56/55/567775655.db2.gz OTXDKXZBORNHJH-UHFFFAOYSA-N -1 3 376.865 3.196 20 30 GGEDHM COc1cc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccc1Cl ZINC000555431994 567784156 /nfs/dbraw/zinc/78/41/56/567784156.db2.gz IXVNIBVLNRUJPS-UHFFFAOYSA-N -1 3 385.272 3.395 20 30 GGEDHM CN(CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)CC(F)(F)F ZINC000444064343 567787578 /nfs/dbraw/zinc/78/75/78/567787578.db2.gz HKOOBDVXMXYFMK-UHFFFAOYSA-N -1 3 396.328 3.007 20 30 GGEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000444078743 567791053 /nfs/dbraw/zinc/79/10/53/567791053.db2.gz PATWVPUBSSWYEZ-UHFFFAOYSA-N -1 3 376.306 3.334 20 30 GGEDHM C=CC[C@H]1N(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCC1(C)C ZINC000444646374 567810538 /nfs/dbraw/zinc/81/05/38/567810538.db2.gz SLUHUWGZKUEUJE-GFCCVEGCSA-N -1 3 390.958 3.273 20 30 GGEDHM Cn1nnc2cc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc21 ZINC000103798989 570888894 /nfs/dbraw/zinc/88/88/94/570888894.db2.gz KHSHYFOFTBHHGL-LLVKDONJSA-N -1 3 388.214 3.236 20 30 GGEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000012756538 571008448 /nfs/dbraw/zinc/00/84/48/571008448.db2.gz MTOBGXBZZVADNR-UHFFFAOYSA-N -1 3 376.376 3.338 20 30 GGEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000012756538 571008449 /nfs/dbraw/zinc/00/84/49/571008449.db2.gz MTOBGXBZZVADNR-UHFFFAOYSA-N -1 3 376.376 3.338 20 30 GGEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000012756538 571008450 /nfs/dbraw/zinc/00/84/50/571008450.db2.gz MTOBGXBZZVADNR-UHFFFAOYSA-N -1 3 376.376 3.338 20 30 GGEDHM C[C@]1(c2ccc(C#N)cc2)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000012783031 571036313 /nfs/dbraw/zinc/03/63/13/571036313.db2.gz KKCYQFNVHGNBPL-GOSISDBHSA-N -1 3 395.287 3.221 20 30 GGEDHM CC[C@@H](C#N)Oc1cc(CNc2nc(C)cc(C)c2-c2nnn[n-]2)ccc1OC ZINC000736308728 598829752 /nfs/dbraw/zinc/82/97/52/598829752.db2.gz HISHBAGKPNDYKT-HNNXBMFYSA-N -1 3 393.451 3.180 20 30 GGEDHM CC[C@@H](C#N)Oc1cc(CNc2nc(C)cc(C)c2-c2nn[n-]n2)ccc1OC ZINC000736308728 598829754 /nfs/dbraw/zinc/82/97/54/598829754.db2.gz HISHBAGKPNDYKT-HNNXBMFYSA-N -1 3 393.451 3.180 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](C)Oc1ccccc1 ZINC000735420994 598879323 /nfs/dbraw/zinc/87/93/23/598879323.db2.gz WOFNZSNFTZCTRX-MRXNPFEDSA-N -1 3 392.463 3.032 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)Oc1ccccc1 ZINC000735420994 598879325 /nfs/dbraw/zinc/87/93/25/598879325.db2.gz WOFNZSNFTZCTRX-MRXNPFEDSA-N -1 3 392.463 3.032 20 30 GGEDHM FC(F)Oc1ccc(Cl)cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822733137 607252705 /nfs/dbraw/zinc/25/27/05/607252705.db2.gz QXSUMIOTZWNREQ-UHFFFAOYSA-N -1 3 378.770 3.245 20 30 GGEDHM FC(F)Oc1ccc(Cl)cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822733137 607252706 /nfs/dbraw/zinc/25/27/06/607252706.db2.gz QXSUMIOTZWNREQ-UHFFFAOYSA-N -1 3 378.770 3.245 20 30 GGEDHM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736328022 598914758 /nfs/dbraw/zinc/91/47/58/598914758.db2.gz NIDFEJUGJOGCSK-ZDUSSCGKSA-N -1 3 376.420 3.269 20 30 GGEDHM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736328022 598914760 /nfs/dbraw/zinc/91/47/60/598914760.db2.gz NIDFEJUGJOGCSK-ZDUSSCGKSA-N -1 3 376.420 3.269 20 30 GGEDHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737317849 598920385 /nfs/dbraw/zinc/92/03/85/598920385.db2.gz ORMNOTZJRZHUNS-UHFFFAOYSA-N -1 3 376.420 3.188 20 30 GGEDHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737317849 598920387 /nfs/dbraw/zinc/92/03/87/598920387.db2.gz ORMNOTZJRZHUNS-UHFFFAOYSA-N -1 3 376.420 3.188 20 30 GGEDHM N#Cc1cc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)ccc1-c1nnn[n-]1 ZINC000737703549 598920402 /nfs/dbraw/zinc/92/04/02/598920402.db2.gz CHTXHIGDKSUUTJ-UHFFFAOYSA-N -1 3 383.415 3.305 20 30 GGEDHM N#Cc1cc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)ccc1-c1nn[n-]n1 ZINC000737703549 598920403 /nfs/dbraw/zinc/92/04/03/598920403.db2.gz CHTXHIGDKSUUTJ-UHFFFAOYSA-N -1 3 383.415 3.305 20 30 GGEDHM Cc1ccc(-c2nc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cs2)o1 ZINC000737288996 598921378 /nfs/dbraw/zinc/92/13/78/598921378.db2.gz RMSVPMYNPARNHD-UHFFFAOYSA-N -1 3 377.389 3.016 20 30 GGEDHM Cc1ccc(-c2nc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cs2)o1 ZINC000737288996 598921380 /nfs/dbraw/zinc/92/13/80/598921380.db2.gz RMSVPMYNPARNHD-UHFFFAOYSA-N -1 3 377.389 3.016 20 30 GGEDHM Cc1cc(Br)ccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737229961 598927924 /nfs/dbraw/zinc/92/79/24/598927924.db2.gz AXKOWJFDUPUOBH-UHFFFAOYSA-N -1 3 383.209 3.062 20 30 GGEDHM Cc1cc(Br)ccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737229961 598927925 /nfs/dbraw/zinc/92/79/25/598927925.db2.gz AXKOWJFDUPUOBH-UHFFFAOYSA-N -1 3 383.209 3.062 20 30 GGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)s1 ZINC000819772343 607252993 /nfs/dbraw/zinc/25/29/93/607252993.db2.gz DDCLWNQOUXFCKG-UHFFFAOYSA-N -1 3 377.271 3.205 20 30 GGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)s1 ZINC000819772343 607252994 /nfs/dbraw/zinc/25/29/94/607252994.db2.gz DDCLWNQOUXFCKG-UHFFFAOYSA-N -1 3 377.271 3.205 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000735420255 598998234 /nfs/dbraw/zinc/99/82/34/598998234.db2.gz NRGZNWOJNIOBNL-UHFFFAOYSA-N -1 3 390.422 3.244 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000735420255 598998235 /nfs/dbraw/zinc/99/82/35/598998235.db2.gz NRGZNWOJNIOBNL-UHFFFAOYSA-N -1 3 390.422 3.244 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000735418930 599071325 /nfs/dbraw/zinc/07/13/25/599071325.db2.gz LTTGEKZYMAXULT-SJLPKXTDSA-N -1 3 395.413 3.463 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000735418930 599071328 /nfs/dbraw/zinc/07/13/28/599071328.db2.gz LTTGEKZYMAXULT-SJLPKXTDSA-N -1 3 395.413 3.463 20 30 GGEDHM Cc1cn2c(/C=C3/CCc4cc(-c5nn[n-]n5)ccc4C3=O)c(C)nc2s1 ZINC000822388971 599111800 /nfs/dbraw/zinc/11/18/00/599111800.db2.gz HQJXGFBPDIZZMU-JYRVWZFOSA-N -1 3 376.445 3.405 20 30 GGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CC/C1=C/c1c(Cl)nc2sccn12 ZINC000823497918 599112674 /nfs/dbraw/zinc/11/26/74/599112674.db2.gz ARARXMREWKZHEE-NTMALXAHSA-N -1 3 382.836 3.442 20 30 GGEDHM COc1cc2c(cc1C=C1CCc3cc(-c4nnn[n-]4)ccc3C1=O)O[C@@H](C)C2 ZINC000821728363 599113817 /nfs/dbraw/zinc/11/38/17/599113817.db2.gz VGAWPEYLDWAEJP-CJAAZZPWSA-N -1 3 388.427 3.411 20 30 GGEDHM COc1cc2c(cc1C=C1CCc3cc(-c4nn[n-]n4)ccc3C1=O)O[C@@H](C)C2 ZINC000821728363 599113820 /nfs/dbraw/zinc/11/38/20/599113820.db2.gz VGAWPEYLDWAEJP-CJAAZZPWSA-N -1 3 388.427 3.411 20 30 GGEDHM O=C(C=Cc1cc2c(cc1OC(F)F)OCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000737799761 599155698 /nfs/dbraw/zinc/15/56/98/599155698.db2.gz WJLWARFHPHTMQC-SNAWJCMRSA-N -1 3 386.314 3.093 20 30 GGEDHM O=C(C=Cc1cc2c(cc1OC(F)F)OCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000737799761 599155701 /nfs/dbraw/zinc/15/57/01/599155701.db2.gz WJLWARFHPHTMQC-SNAWJCMRSA-N -1 3 386.314 3.093 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(OCC(F)F)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201312 599156275 /nfs/dbraw/zinc/15/62/75/599156275.db2.gz CBSPRLCFTZAEIG-TWGQIWQCSA-N -1 3 399.401 3.463 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(OCC(F)F)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201312 599156279 /nfs/dbraw/zinc/15/62/79/599156279.db2.gz CBSPRLCFTZAEIG-TWGQIWQCSA-N -1 3 399.401 3.463 20 30 GGEDHM COc1ccc(/C=C/C(=O)c2c(Cl)nc3sccn32)cc1-c1nn[n-]n1 ZINC000737080507 599156685 /nfs/dbraw/zinc/15/66/85/599156685.db2.gz BYFMEWHIXHKTIL-DUXPYHPUSA-N -1 3 386.824 3.134 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(N(C)C)cc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202210 599157534 /nfs/dbraw/zinc/15/75/34/599157534.db2.gz LKWBEUFKSBNLFF-MLPAPPSSSA-N -1 3 399.458 3.323 20 30 GGEDHM COc1ccc(C=C2Oc3ccc(Br)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737084766 599155870 /nfs/dbraw/zinc/15/58/70/599155870.db2.gz VNMPOHZHRPLFEB-CHHVJCJISA-N -1 3 399.204 3.254 20 30 GGEDHM COc1ccc(C=C2Oc3ccc(Br)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737084766 599155872 /nfs/dbraw/zinc/15/58/72/599155872.db2.gz VNMPOHZHRPLFEB-CHHVJCJISA-N -1 3 399.204 3.254 20 30 GGEDHM N#Cc1ccc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(F)c1 ZINC000737722268 599170000 /nfs/dbraw/zinc/17/00/00/599170000.db2.gz GXNVLIXDHCEHGX-UHFFFAOYSA-N -1 3 379.380 3.220 20 30 GGEDHM N#Cc1ccc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(F)c1 ZINC000737722268 599170003 /nfs/dbraw/zinc/17/00/03/599170003.db2.gz GXNVLIXDHCEHGX-UHFFFAOYSA-N -1 3 379.380 3.220 20 30 GGEDHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736237311 599190787 /nfs/dbraw/zinc/19/07/87/599190787.db2.gz PDLQWWAOPXEWEC-SKDZVZGDSA-N -1 3 382.468 3.154 20 30 GGEDHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736237311 599190791 /nfs/dbraw/zinc/19/07/91/599190791.db2.gz PDLQWWAOPXEWEC-SKDZVZGDSA-N -1 3 382.468 3.154 20 30 GGEDHM C[C@H](CC#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735963522 599199198 /nfs/dbraw/zinc/19/91/98/599199198.db2.gz GLDOMCWXYXORPV-LLVKDONJSA-N -1 3 382.811 3.344 20 30 GGEDHM C[C@H](CC#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735963522 599199199 /nfs/dbraw/zinc/19/91/99/599199199.db2.gz GLDOMCWXYXORPV-LLVKDONJSA-N -1 3 382.811 3.344 20 30 GGEDHM N#C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)C1CC1 ZINC000737673940 599203475 /nfs/dbraw/zinc/20/34/75/599203475.db2.gz FDNCHBPIYCVVSW-OAHLLOKOSA-N -1 3 394.822 3.344 20 30 GGEDHM C=CCc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc(OC)c1OC ZINC000819759548 607270369 /nfs/dbraw/zinc/27/03/69/607270369.db2.gz ZPBVDJGKFAKCJT-UHFFFAOYSA-N -1 3 379.420 3.173 20 30 GGEDHM C=CCc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc(OC)c1OC ZINC000819759548 607270370 /nfs/dbraw/zinc/27/03/70/607270370.db2.gz ZPBVDJGKFAKCJT-UHFFFAOYSA-N -1 3 379.420 3.173 20 30 GGEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000820841881 607281993 /nfs/dbraw/zinc/28/19/93/607281993.db2.gz GZTNBYOJMHAQNP-OAHLLOKOSA-N -1 3 391.435 3.178 20 30 GGEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000820841881 607281994 /nfs/dbraw/zinc/28/19/94/607281994.db2.gz GZTNBYOJMHAQNP-OAHLLOKOSA-N -1 3 391.435 3.178 20 30 GGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819742846 607282776 /nfs/dbraw/zinc/28/27/76/607282776.db2.gz ASHDLRFRTKTHBB-UHFFFAOYSA-N -1 3 378.436 3.404 20 30 GGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819742846 607282777 /nfs/dbraw/zinc/28/27/77/607282777.db2.gz ASHDLRFRTKTHBB-UHFFFAOYSA-N -1 3 378.436 3.404 20 30 GGEDHM Cc1c(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cccc1-c1nnn[n-]1 ZINC000822059453 607295683 /nfs/dbraw/zinc/29/56/83/607295683.db2.gz BLCULGZNIMCXQA-SFHVURJKSA-N -1 3 376.420 3.089 20 30 GGEDHM Cc1c(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cccc1-c1nn[n-]n1 ZINC000822059453 607295684 /nfs/dbraw/zinc/29/56/84/607295684.db2.gz BLCULGZNIMCXQA-SFHVURJKSA-N -1 3 376.420 3.089 20 30 GGEDHM CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000821161179 607299692 /nfs/dbraw/zinc/29/96/92/607299692.db2.gz VXKBCCJGYNHYIN-LLVKDONJSA-N -1 3 381.827 3.010 20 30 GGEDHM CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000821161179 607299693 /nfs/dbraw/zinc/29/96/93/607299693.db2.gz VXKBCCJGYNHYIN-LLVKDONJSA-N -1 3 381.827 3.010 20 30 GGEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820155980 599263610 /nfs/dbraw/zinc/26/36/10/599263610.db2.gz XMRXNMUWIQKTES-CYBMUJFWSA-N -1 3 391.435 3.408 20 30 GGEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820155980 599263613 /nfs/dbraw/zinc/26/36/13/599263613.db2.gz XMRXNMUWIQKTES-CYBMUJFWSA-N -1 3 391.435 3.408 20 30 GGEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000820151447 599263767 /nfs/dbraw/zinc/26/37/67/599263767.db2.gz HVHZNNKVBMKOHV-CYBMUJFWSA-N -1 3 391.435 3.408 20 30 GGEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000820151447 599263769 /nfs/dbraw/zinc/26/37/69/599263769.db2.gz HVHZNNKVBMKOHV-CYBMUJFWSA-N -1 3 391.435 3.408 20 30 GGEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000819701375 599266651 /nfs/dbraw/zinc/26/66/51/599266651.db2.gz FBECJGJDODGECH-UHFFFAOYSA-N -1 3 396.382 3.061 20 30 GGEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000819701375 599266654 /nfs/dbraw/zinc/26/66/54/599266654.db2.gz FBECJGJDODGECH-UHFFFAOYSA-N -1 3 396.382 3.061 20 30 GGEDHM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1F ZINC000737081799 598314416 /nfs/dbraw/zinc/31/44/16/598314416.db2.gz CBGIGTYWISFFIZ-UHFFFAOYSA-N -1 3 380.305 3.479 20 30 GGEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1F ZINC000737081799 598314418 /nfs/dbraw/zinc/31/44/18/598314418.db2.gz CBGIGTYWISFFIZ-UHFFFAOYSA-N -1 3 380.305 3.479 20 30 GGEDHM O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823397515 607353258 /nfs/dbraw/zinc/35/32/58/607353258.db2.gz WSLVAWRGDHHDGH-UHFFFAOYSA-N -1 3 394.334 3.035 20 30 GGEDHM O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823397515 607353259 /nfs/dbraw/zinc/35/32/59/607353259.db2.gz WSLVAWRGDHHDGH-UHFFFAOYSA-N -1 3 394.334 3.035 20 30 GGEDHM Cc1c(C(=O)C=Cc2cnc(-c3ccccc3)nc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202563 598378454 /nfs/dbraw/zinc/37/84/54/598378454.db2.gz NNSQSWXWNUJGPX-KTKRTIGZSA-N -1 3 397.442 3.276 20 30 GGEDHM Cc1c(C(=O)C=Cc2cnc(-c3ccccc3)nc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202563 598378456 /nfs/dbraw/zinc/37/84/56/598378456.db2.gz NNSQSWXWNUJGPX-KTKRTIGZSA-N -1 3 397.442 3.276 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(OC(F)F)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204269 598379119 /nfs/dbraw/zinc/37/91/19/598379119.db2.gz YSIDTKGFFKOCSK-TWGQIWQCSA-N -1 3 385.374 3.420 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(OC(F)F)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204269 598379120 /nfs/dbraw/zinc/37/91/20/598379120.db2.gz YSIDTKGFFKOCSK-TWGQIWQCSA-N -1 3 385.374 3.420 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000735418592 598392135 /nfs/dbraw/zinc/39/21/35/598392135.db2.gz HKDYIWLVFHZNHG-IBGZPJMESA-N -1 3 392.438 3.391 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000735418592 598392137 /nfs/dbraw/zinc/39/21/37/598392137.db2.gz HKDYIWLVFHZNHG-IBGZPJMESA-N -1 3 392.438 3.391 20 30 GGEDHM CCCCCCCCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736449220 598434499 /nfs/dbraw/zinc/43/44/99/598434499.db2.gz RFDFAQQASGFGRY-UHFFFAOYSA-N -1 3 396.499 3.115 20 30 GGEDHM CCCCCCCCCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736449220 598434501 /nfs/dbraw/zinc/43/45/01/598434501.db2.gz RFDFAQQASGFGRY-UHFFFAOYSA-N -1 3 396.499 3.115 20 30 GGEDHM CCCCCCCCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736449277 598448100 /nfs/dbraw/zinc/44/81/00/598448100.db2.gz TYEYAOUYPKRFQH-UHFFFAOYSA-N -1 3 385.516 3.097 20 30 GGEDHM CCCCCCCCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736449277 598448101 /nfs/dbraw/zinc/44/81/01/598448101.db2.gz TYEYAOUYPKRFQH-UHFFFAOYSA-N -1 3 385.516 3.097 20 30 GGEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nc1 ZINC000737712753 598480216 /nfs/dbraw/zinc/48/02/16/598480216.db2.gz SIDZTGYNZXOYJY-UHFFFAOYSA-N -1 3 382.383 3.157 20 30 GGEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nc1 ZINC000737712753 598480218 /nfs/dbraw/zinc/48/02/18/598480218.db2.gz SIDZTGYNZXOYJY-UHFFFAOYSA-N -1 3 382.383 3.157 20 30 GGEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1SCCC#N ZINC000736190006 598494279 /nfs/dbraw/zinc/49/42/79/598494279.db2.gz VTGPUQLMKJTFDD-CYBMUJFWSA-N -1 3 394.460 3.278 20 30 GGEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1SCCC#N ZINC000736190006 598494282 /nfs/dbraw/zinc/49/42/82/598494282.db2.gz VTGPUQLMKJTFDD-CYBMUJFWSA-N -1 3 394.460 3.278 20 30 GGEDHM C=C1CCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000735401996 598512918 /nfs/dbraw/zinc/51/29/18/598512918.db2.gz CYXKOCIPCDMDMD-UHFFFAOYSA-N -1 3 375.432 3.238 20 30 GGEDHM C=C1CCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000735401996 598512919 /nfs/dbraw/zinc/51/29/19/598512919.db2.gz CYXKOCIPCDMDMD-UHFFFAOYSA-N -1 3 375.432 3.238 20 30 GGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735507046 598513968 /nfs/dbraw/zinc/51/39/68/598513968.db2.gz ZBNFQRKEYDSAFQ-ZDUSSCGKSA-N -1 3 393.476 3.440 20 30 GGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735507046 598513969 /nfs/dbraw/zinc/51/39/69/598513969.db2.gz ZBNFQRKEYDSAFQ-ZDUSSCGKSA-N -1 3 393.476 3.440 20 30 GGEDHM C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115915 598561668 /nfs/dbraw/zinc/56/16/68/598561668.db2.gz KZTJDCLSCFSMMV-JTQLQIEISA-N -1 3 399.361 3.222 20 30 GGEDHM C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115915 598561670 /nfs/dbraw/zinc/56/16/70/598561670.db2.gz KZTJDCLSCFSMMV-JTQLQIEISA-N -1 3 399.361 3.222 20 30 GGEDHM N#CCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737687616 598565541 /nfs/dbraw/zinc/56/55/41/598565541.db2.gz KQWDVUVMGDFARG-UHFFFAOYSA-N -1 3 377.408 3.474 20 30 GGEDHM N#CCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737687616 598565543 /nfs/dbraw/zinc/56/55/43/598565543.db2.gz KQWDVUVMGDFARG-UHFFFAOYSA-N -1 3 377.408 3.474 20 30 GGEDHM C=CCn1c(C)cc(C(=O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1C ZINC000735443426 598567376 /nfs/dbraw/zinc/56/73/76/598567376.db2.gz VAZFVFOVGUTPAY-UHFFFAOYSA-N -1 3 387.447 3.217 20 30 GGEDHM C=CCn1c(C)cc(C(=O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1C ZINC000735443426 598567378 /nfs/dbraw/zinc/56/73/78/598567378.db2.gz VAZFVFOVGUTPAY-UHFFFAOYSA-N -1 3 387.447 3.217 20 30 GGEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000737674278 598589953 /nfs/dbraw/zinc/58/99/53/598589953.db2.gz IGSAFKAFSMRBKP-HLRDLLSLSA-N -1 3 398.348 3.280 20 30 GGEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000737674278 598589955 /nfs/dbraw/zinc/58/99/55/598589955.db2.gz IGSAFKAFSMRBKP-HLRDLLSLSA-N -1 3 398.348 3.280 20 30 GGEDHM CCCCCCC[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736447719 598638727 /nfs/dbraw/zinc/63/87/27/598638727.db2.gz SZBPPOIEYWUOQA-CYBMUJFWSA-N -1 3 390.463 3.057 20 30 GGEDHM CCCCCCC[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736447719 598638728 /nfs/dbraw/zinc/63/87/28/598638728.db2.gz SZBPPOIEYWUOQA-CYBMUJFWSA-N -1 3 390.463 3.057 20 30 GGEDHM N#Cc1ccccc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737727923 598645014 /nfs/dbraw/zinc/64/50/14/598645014.db2.gz UMZSXXACPVCCKU-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM N#Cc1ccccc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737727923 598645015 /nfs/dbraw/zinc/64/50/15/598645015.db2.gz UMZSXXACPVCCKU-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM N#Cc1ccc(OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000737722409 598645260 /nfs/dbraw/zinc/64/52/60/598645260.db2.gz UWRSFFTWONMLDL-UHFFFAOYSA-N -1 3 384.355 3.145 20 30 GGEDHM N#Cc1ccc(OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000737722409 598645261 /nfs/dbraw/zinc/64/52/61/598645261.db2.gz UWRSFFTWONMLDL-UHFFFAOYSA-N -1 3 384.355 3.145 20 30 GGEDHM N#Cc1ccccc1N1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737727046 598652152 /nfs/dbraw/zinc/65/21/52/598652152.db2.gz COZLWEDFYAEPSK-UHFFFAOYSA-N -1 3 379.855 3.108 20 30 GGEDHM N#Cc1ccccc1N1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737727046 598652153 /nfs/dbraw/zinc/65/21/53/598652153.db2.gz COZLWEDFYAEPSK-UHFFFAOYSA-N -1 3 379.855 3.108 20 30 GGEDHM Fc1ccc(CON=Cc2ccccc2Br)c(-c2nnn[n-]2)c1 ZINC000737647441 598674892 /nfs/dbraw/zinc/67/48/92/598674892.db2.gz DVHAHMYSNNPGKJ-UHFFFAOYSA-N -1 3 376.189 3.319 20 30 GGEDHM Fc1ccc(CON=Cc2ccccc2Br)c(-c2nn[n-]n2)c1 ZINC000737647441 598674894 /nfs/dbraw/zinc/67/48/94/598674894.db2.gz DVHAHMYSNNPGKJ-UHFFFAOYSA-N -1 3 376.189 3.319 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000735390091 598736745 /nfs/dbraw/zinc/73/67/45/598736745.db2.gz OEQLAYVARYJDQE-UHFFFAOYSA-N -1 3 396.410 3.074 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000735390091 598736747 /nfs/dbraw/zinc/73/67/47/598736747.db2.gz OEQLAYVARYJDQE-UHFFFAOYSA-N -1 3 396.410 3.074 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn(-c2ccccc2C)c1 ZINC000735421389 598753466 /nfs/dbraw/zinc/75/34/66/598753466.db2.gz XYRAUNOBRYLQAE-UHFFFAOYSA-N -1 3 399.458 3.189 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnn(-c2ccccc2C)c1 ZINC000735421389 598753467 /nfs/dbraw/zinc/75/34/67/598753467.db2.gz XYRAUNOBRYLQAE-UHFFFAOYSA-N -1 3 399.458 3.189 20 30 GGEDHM N#Cc1cc(F)c(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000737703710 598755960 /nfs/dbraw/zinc/75/59/60/598755960.db2.gz DZDMCXWOHBWXJL-UHFFFAOYSA-N -1 3 382.374 3.064 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000735420747 598783471 /nfs/dbraw/zinc/78/34/71/598783471.db2.gz RWTMIOXNNDWRFZ-AWEZNQCLSA-N -1 3 378.436 3.031 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000735420747 598783473 /nfs/dbraw/zinc/78/34/73/598783473.db2.gz RWTMIOXNNDWRFZ-AWEZNQCLSA-N -1 3 378.436 3.031 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CC)Nc1ccccc1 ZINC000735418919 598811301 /nfs/dbraw/zinc/81/13/01/598811301.db2.gz LRHOFAKQDJDCRM-LJQANCHMSA-N -1 3 376.464 3.272 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CC)Nc1ccccc1 ZINC000735418919 598811302 /nfs/dbraw/zinc/81/13/02/598811302.db2.gz LRHOFAKQDJDCRM-LJQANCHMSA-N -1 3 376.464 3.272 20 30 GGEDHM c1nc2ccc(-c3nnn[n-]3)cn2c1CN=Nc1nc(-c2ccccc2)cs1 ZINC000735399193 599457638 /nfs/dbraw/zinc/45/76/38/599457638.db2.gz JHGIFGWPRXDMDZ-UHFFFAOYSA-N -1 3 387.432 3.084 20 30 GGEDHM c1nc2ccc(-c3nn[n-]n3)cn2c1CN=Nc1nc(-c2ccccc2)cs1 ZINC000735399193 599457640 /nfs/dbraw/zinc/45/76/40/599457640.db2.gz JHGIFGWPRXDMDZ-UHFFFAOYSA-N -1 3 387.432 3.084 20 30 GGEDHM COc1cc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)ccc1SC ZINC000737034951 599462721 /nfs/dbraw/zinc/46/27/21/599462721.db2.gz NOLAYHMBEGZEHE-WAYWQWQTSA-N -1 3 392.444 3.141 20 30 GGEDHM COc1cc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)ccc1SC ZINC000737034951 599462724 /nfs/dbraw/zinc/46/27/24/599462724.db2.gz NOLAYHMBEGZEHE-WAYWQWQTSA-N -1 3 392.444 3.141 20 30 GGEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737467413 599464018 /nfs/dbraw/zinc/46/40/18/599464018.db2.gz DNCQQBMGILHQEB-VOTSOKGWSA-N -1 3 393.476 3.473 20 30 GGEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737467413 599464021 /nfs/dbraw/zinc/46/40/21/599464021.db2.gz DNCQQBMGILHQEB-VOTSOKGWSA-N -1 3 393.476 3.473 20 30 GGEDHM C=CCCCN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735412801 599497849 /nfs/dbraw/zinc/49/78/49/599497849.db2.gz LBIHQHWDKGUAJR-UHFFFAOYSA-N -1 3 379.424 3.484 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000820315781 599533530 /nfs/dbraw/zinc/53/35/30/599533530.db2.gz PJFIWAZRRAMLOX-AUUYWEPGSA-N -1 3 390.447 3.019 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000820315781 599533532 /nfs/dbraw/zinc/53/35/32/599533532.db2.gz PJFIWAZRRAMLOX-AUUYWEPGSA-N -1 3 390.447 3.019 20 30 GGEDHM C=CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccc1F ZINC000819745597 599565910 /nfs/dbraw/zinc/56/59/10/599565910.db2.gz LLJVKHIHTZPJRK-UHFFFAOYSA-N -1 3 391.410 3.244 20 30 GGEDHM C=CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1ccccc1F ZINC000819745597 599565913 /nfs/dbraw/zinc/56/59/13/599565913.db2.gz LLJVKHIHTZPJRK-UHFFFAOYSA-N -1 3 391.410 3.244 20 30 GGEDHM CC(=NN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1cnccn1 ZINC000819773522 599663725 /nfs/dbraw/zinc/66/37/25/599663725.db2.gz SQVGLJCXAILHHB-UHFFFAOYSA-N -1 3 398.430 3.079 20 30 GGEDHM CC(=NN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1cnccn1 ZINC000819773522 599663726 /nfs/dbraw/zinc/66/37/26/599663726.db2.gz SQVGLJCXAILHHB-UHFFFAOYSA-N -1 3 398.430 3.079 20 30 GGEDHM CN(CCCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000737415253 599911829 /nfs/dbraw/zinc/91/18/29/599911829.db2.gz IDNLWGRWPRBVNJ-LBPRGKRZSA-N -1 3 385.392 3.039 20 30 GGEDHM N#CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000739086594 599928562 /nfs/dbraw/zinc/92/85/62/599928562.db2.gz BEJDQHPCWDMAEO-INIZCTEOSA-N -1 3 375.222 3.267 20 30 GGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000826250961 607428788 /nfs/dbraw/zinc/42/87/88/607428788.db2.gz ASXHTFKKGFRHIL-JTQLQIEISA-N -1 3 378.461 3.485 20 30 GGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000826250961 607428789 /nfs/dbraw/zinc/42/87/89/607428789.db2.gz ASXHTFKKGFRHIL-JTQLQIEISA-N -1 3 378.461 3.485 20 30 GGEDHM CN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccc(C#N)cc1 ZINC000825830202 607437431 /nfs/dbraw/zinc/43/74/31/607437431.db2.gz OBVVZEWFYGRGOG-UHFFFAOYSA-N -1 3 397.398 3.202 20 30 GGEDHM CN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccc(C#N)cc1 ZINC000825830202 607437434 /nfs/dbraw/zinc/43/74/34/607437434.db2.gz OBVVZEWFYGRGOG-UHFFFAOYSA-N -1 3 397.398 3.202 20 30 GGEDHM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(CCC(=O)[O-])C(C)C)c1C#N ZINC000738252544 600395251 /nfs/dbraw/zinc/39/52/51/600395251.db2.gz DZBYTNOQPCDGQE-UHFFFAOYSA-N -1 3 396.491 3.149 20 30 GGEDHM COc1cccc(OC)c1OC1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738109522 600565569 /nfs/dbraw/zinc/56/55/69/600565569.db2.gz RVRREXOMRLKQLW-FQEVSTJZSA-N -1 3 396.443 3.245 20 30 GGEDHM N#Cc1ccc([C@@H](NCc2ccc(NC(=O)c3ccncc3)cc2)C(=O)[O-])cc1 ZINC000739108189 600597210 /nfs/dbraw/zinc/59/72/10/600597210.db2.gz ULNIJVBXQJDVFL-HXUWFJFHSA-N -1 3 386.411 3.121 20 30 GGEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Br ZINC000738008452 600597561 /nfs/dbraw/zinc/59/75/61/600597561.db2.gz KJBFMWYUTDDABB-MRXNPFEDSA-N -1 3 375.222 3.245 20 30 GGEDHM CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2NC1=O ZINC000829170578 600695099 /nfs/dbraw/zinc/69/50/99/600695099.db2.gz WHECUXKBIHLMDN-LWLIDHTLSA-N -1 3 379.416 3.144 20 30 GGEDHM C=C(Cl)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000823883024 607469141 /nfs/dbraw/zinc/46/91/41/607469141.db2.gz IUQQPXAWYJQZJM-UHFFFAOYSA-N -1 3 381.827 3.208 20 30 GGEDHM C=C(Cl)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000823883024 607469142 /nfs/dbraw/zinc/46/91/42/607469142.db2.gz IUQQPXAWYJQZJM-UHFFFAOYSA-N -1 3 381.827 3.208 20 30 GGEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832000137 601236507 /nfs/dbraw/zinc/23/65/07/601236507.db2.gz JXNDHUQHOZRARJ-RWMBFGLXSA-N -1 3 392.839 3.195 20 30 GGEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000827717072 601300456 /nfs/dbraw/zinc/30/04/56/601300456.db2.gz DFMRNQLYXODYBB-ORAYPTAESA-N -1 3 378.432 3.319 20 30 GGEDHM CCOc1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(F)F ZINC000830045179 601301669 /nfs/dbraw/zinc/30/16/69/601301669.db2.gz XIGWZEHVQFYFSG-KRWDZBQOSA-N -1 3 376.359 3.474 20 30 GGEDHM COc1ccc(C(=O)C2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832152622 601310543 /nfs/dbraw/zinc/31/05/43/601310543.db2.gz HWPPHQPJKRWQAV-FQEVSTJZSA-N -1 3 378.428 3.287 20 30 GGEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000833074112 601322278 /nfs/dbraw/zinc/32/22/78/601322278.db2.gz PBPYVINPOZNGPD-IBGZPJMESA-N -1 3 381.388 3.136 20 30 GGEDHM C(=NOCc1cccnc1)c1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823868208 607532062 /nfs/dbraw/zinc/53/20/62/607532062.db2.gz RAOZXMGTZYDSSV-UHFFFAOYSA-N -1 3 386.415 3.391 20 30 GGEDHM C(=NOCc1cccnc1)c1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823868208 607532064 /nfs/dbraw/zinc/53/20/64/607532064.db2.gz RAOZXMGTZYDSSV-UHFFFAOYSA-N -1 3 386.415 3.391 20 30 GGEDHM COc1ccc(CSCCCOc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826207887 607534239 /nfs/dbraw/zinc/53/42/39/607534239.db2.gz JISCZXVERALWGC-UHFFFAOYSA-N -1 3 381.461 3.449 20 30 GGEDHM COc1ccc(CSCCCOc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826207887 607534241 /nfs/dbraw/zinc/53/42/41/607534241.db2.gz JISCZXVERALWGC-UHFFFAOYSA-N -1 3 381.461 3.449 20 30 GGEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC#Cc1ccccc1Cl ZINC000826334959 607547837 /nfs/dbraw/zinc/54/78/37/607547837.db2.gz RDKJAGBSHLGNFD-UHFFFAOYSA-N -1 3 375.823 3.139 20 30 GGEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC#Cc1ccccc1Cl ZINC000826334959 607547839 /nfs/dbraw/zinc/54/78/39/607547839.db2.gz RDKJAGBSHLGNFD-UHFFFAOYSA-N -1 3 375.823 3.139 20 30 GGEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000824148240 607672806 /nfs/dbraw/zinc/67/28/06/607672806.db2.gz PQEDUVARMMSSMV-UHFFFAOYSA-N -1 3 390.451 3.106 20 30 GGEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000824148240 607672809 /nfs/dbraw/zinc/67/28/09/607672809.db2.gz PQEDUVARMMSSMV-UHFFFAOYSA-N -1 3 390.451 3.106 20 30 GGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000826245981 607686523 /nfs/dbraw/zinc/68/65/23/607686523.db2.gz NWUYWEZQXDMHBH-AWEZNQCLSA-N -1 3 387.230 3.477 20 30 GGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000826245981 607686524 /nfs/dbraw/zinc/68/65/24/607686524.db2.gz NWUYWEZQXDMHBH-AWEZNQCLSA-N -1 3 387.230 3.477 20 30 GGEDHM COc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1OCCCC#N ZINC000832314773 604466348 /nfs/dbraw/zinc/46/63/48/604466348.db2.gz OSXACKCHKFGWDU-LJQANCHMSA-N -1 3 380.444 3.389 20 30 GGEDHM N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826382787 607702827 /nfs/dbraw/zinc/70/28/27/607702827.db2.gz VBLWKIHFKCDMGP-UHFFFAOYSA-N -1 3 399.414 3.092 20 30 GGEDHM N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826382787 607702828 /nfs/dbraw/zinc/70/28/28/607702828.db2.gz VBLWKIHFKCDMGP-UHFFFAOYSA-N -1 3 399.414 3.092 20 30 GGEDHM C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824498418 607707087 /nfs/dbraw/zinc/70/70/87/607707087.db2.gz GZHZDEIXEBPROS-KSSFIOAISA-N -1 3 375.436 3.272 20 30 GGEDHM C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824498418 607707089 /nfs/dbraw/zinc/70/70/89/607707089.db2.gz GZHZDEIXEBPROS-KSSFIOAISA-N -1 3 375.436 3.272 20 30 GGEDHM C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498350 607710178 /nfs/dbraw/zinc/71/01/78/607710178.db2.gz FLOUANALYDPYRM-KSSFIOAISA-N -1 3 375.436 3.272 20 30 GGEDHM C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498350 607710180 /nfs/dbraw/zinc/71/01/80/607710180.db2.gz FLOUANALYDPYRM-KSSFIOAISA-N -1 3 375.436 3.272 20 30 GGEDHM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826271873 607723979 /nfs/dbraw/zinc/72/39/79/607723979.db2.gz LDBUAZLHCKLFGL-UHFFFAOYSA-N -1 3 399.414 3.206 20 30 GGEDHM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826271873 607723981 /nfs/dbraw/zinc/72/39/81/607723981.db2.gz LDBUAZLHCKLFGL-UHFFFAOYSA-N -1 3 399.414 3.206 20 30 GGEDHM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833402130 604939483 /nfs/dbraw/zinc/93/94/83/604939483.db2.gz BRKCREJEULDVTD-HOTGVXAUSA-N -1 3 389.471 3.284 20 30 GGEDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000833413447 605180321 /nfs/dbraw/zinc/18/03/21/605180321.db2.gz NBAOURGAENSLLP-HXUWFJFHSA-N -1 3 379.460 3.375 20 30 GGEDHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000833413445 605180489 /nfs/dbraw/zinc/18/04/89/605180489.db2.gz NBAOURGAENSLLP-FQEVSTJZSA-N -1 3 379.460 3.375 20 30 GGEDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3cccc(C(=O)[O-])c3C#N)C[C@@H]21 ZINC000833439707 605428384 /nfs/dbraw/zinc/42/83/84/605428384.db2.gz WVIYYYAIXODEAQ-ZYSHUDEJSA-N -1 3 399.491 3.382 20 30 GGEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)c1ccc(OCC(=O)[O-])cc1 ZINC000833690662 605437816 /nfs/dbraw/zinc/43/78/16/605437816.db2.gz ACSVWRKSGNPDAR-OAHLLOKOSA-N -1 3 395.440 3.072 20 30 GGEDHM CCC(CC)CN(CCC#N)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000820892881 606112358 /nfs/dbraw/zinc/11/23/58/606112358.db2.gz GHHGSNTZFIDGDS-UHFFFAOYSA-N -1 3 389.529 3.135 20 30 GGEDHM CCC(CC)CN(CCC#N)CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000820892881 606112360 /nfs/dbraw/zinc/11/23/60/606112360.db2.gz GHHGSNTZFIDGDS-UHFFFAOYSA-N -1 3 389.529 3.135 20 30 GGEDHM CC(C)[C@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820016873 606168492 /nfs/dbraw/zinc/16/84/92/606168492.db2.gz PPJIIEHJXGHFQK-SFHVURJKSA-N -1 3 377.404 3.151 20 30 GGEDHM CC(C)[C@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820016873 606168493 /nfs/dbraw/zinc/16/84/93/606168493.db2.gz PPJIIEHJXGHFQK-SFHVURJKSA-N -1 3 377.404 3.151 20 30 GGEDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000823109075 606192192 /nfs/dbraw/zinc/19/21/92/606192192.db2.gz XLWGWGMVXXZIGU-UHFFFAOYSA-N -1 3 386.333 3.023 20 30 GGEDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000823109075 606192194 /nfs/dbraw/zinc/19/21/94/606192194.db2.gz XLWGWGMVXXZIGU-UHFFFAOYSA-N -1 3 386.333 3.023 20 30 GGEDHM C(=NNCc1ccc(-c2ccccc2)cc1)c1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000819718497 606204977 /nfs/dbraw/zinc/20/49/77/606204977.db2.gz JZFMECGKLMUTFU-UHFFFAOYSA-N -1 3 394.442 3.305 20 30 GGEDHM C(=NNCc1ccc(-c2ccccc2)cc1)c1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000819718497 606204979 /nfs/dbraw/zinc/20/49/79/606204979.db2.gz JZFMECGKLMUTFU-UHFFFAOYSA-N -1 3 394.442 3.305 20 30 GGEDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)c1cc(C#N)cn1C ZINC000822211604 606236424 /nfs/dbraw/zinc/23/64/24/606236424.db2.gz HEXWJBMRLOKCML-UHFFFAOYSA-N -1 3 399.414 3.430 20 30 GGEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1cc(C#N)cn1C ZINC000822211604 606236426 /nfs/dbraw/zinc/23/64/26/606236426.db2.gz HEXWJBMRLOKCML-UHFFFAOYSA-N -1 3 399.414 3.430 20 30 GGEDHM FC(F)(F)c1nc2ccccc2c(N=NCc2ccc(-c3nnn[n-]3)s2)n1 ZINC000822728323 606369259 /nfs/dbraw/zinc/36/92/59/606369259.db2.gz GXTKJEJJMZVSHP-UHFFFAOYSA-N -1 3 390.354 3.336 20 30 GGEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2ccc(Br)cc21 ZINC000823503061 606389745 /nfs/dbraw/zinc/38/97/45/606389745.db2.gz ASMJNDXHHGEBFF-VMPITWQZSA-N -1 3 389.234 3.349 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cnn1-c1ccc(C#N)cc1 ZINC000822014871 606392422 /nfs/dbraw/zinc/39/24/22/606392422.db2.gz ANDSAOFQNXNSQQ-VURMDHGXSA-N -1 3 387.428 3.190 20 30 GGEDHM CCCCCCC[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821049551 606398538 /nfs/dbraw/zinc/39/85/38/606398538.db2.gz LGEIWIAPBCDKHO-CYBMUJFWSA-N -1 3 390.463 3.057 20 30 GGEDHM CCCCCCC[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821049551 606398539 /nfs/dbraw/zinc/39/85/39/606398539.db2.gz LGEIWIAPBCDKHO-CYBMUJFWSA-N -1 3 390.463 3.057 20 30 GGEDHM N#C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000822801686 606557331 /nfs/dbraw/zinc/55/73/31/606557331.db2.gz MJVMKSNZIVXZNR-AWEZNQCLSA-N -1 3 387.230 3.097 20 30 GGEDHM N#C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000822801686 606557332 /nfs/dbraw/zinc/55/73/32/606557332.db2.gz MJVMKSNZIVXZNR-AWEZNQCLSA-N -1 3 387.230 3.097 20 30 GGEDHM C=C(C)CN(CC)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819722716 606597654 /nfs/dbraw/zinc/59/76/54/606597654.db2.gz PCFUFWBBUTWVDU-UHFFFAOYSA-N -1 3 397.451 3.126 20 30 GGEDHM C=C(C)CN(CC)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819722716 606597655 /nfs/dbraw/zinc/59/76/55/606597655.db2.gz PCFUFWBBUTWVDU-UHFFFAOYSA-N -1 3 397.451 3.126 20 30 GGEDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1OC(F)F ZINC000819766016 606603411 /nfs/dbraw/zinc/60/34/11/606603411.db2.gz UISSFRPKGDUBQB-FLIBITNWSA-N -1 3 396.357 3.382 20 30 GGEDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1OC(F)F ZINC000819766016 606603412 /nfs/dbraw/zinc/60/34/12/606603412.db2.gz UISSFRPKGDUBQB-FLIBITNWSA-N -1 3 396.357 3.382 20 30 GGEDHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N(C)CCC#N ZINC000822212006 606642365 /nfs/dbraw/zinc/64/23/65/606642365.db2.gz YGJUQZCHLCBOAT-UHFFFAOYSA-N -1 3 391.435 3.132 20 30 GGEDHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N(C)CCC#N ZINC000822212006 606642366 /nfs/dbraw/zinc/64/23/66/606642366.db2.gz YGJUQZCHLCBOAT-UHFFFAOYSA-N -1 3 391.435 3.132 20 30 GGEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)[C@H](C)CC#N)cc1 ZINC000822135893 606790938 /nfs/dbraw/zinc/79/09/38/606790938.db2.gz GMKBKPLVTGEJRL-CQSZACIVSA-N -1 3 376.420 3.342 20 30 GGEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)[C@H](C)CC#N)cc1 ZINC000822135893 606790940 /nfs/dbraw/zinc/79/09/40/606790940.db2.gz GMKBKPLVTGEJRL-CQSZACIVSA-N -1 3 376.420 3.342 20 30 GGEDHM N#CC1(OC(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCC1 ZINC000822801981 606801890 /nfs/dbraw/zinc/80/18/90/606801890.db2.gz SPUVYBZRECVYAF-UHFFFAOYSA-N -1 3 375.388 3.049 20 30 GGEDHM N#CC1(OC(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCC1 ZINC000822801981 606801891 /nfs/dbraw/zinc/80/18/91/606801891.db2.gz SPUVYBZRECVYAF-UHFFFAOYSA-N -1 3 375.388 3.049 20 30 GGEDHM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2C[C@H](C)N(Cc3ccccc3)C2)o1 ZINC000820196822 606860416 /nfs/dbraw/zinc/86/04/16/606860416.db2.gz DGFSQPPBIYHVET-ZDUSSCGKSA-N -1 3 380.456 3.040 20 30 GGEDHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C1(C#N)CC(C)C1 ZINC000822211909 606864896 /nfs/dbraw/zinc/86/48/96/606864896.db2.gz STAPMXSKSJFFFO-UHFFFAOYSA-N -1 3 389.419 3.241 20 30 GGEDHM N#Cc1ccc(F)c(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000822830238 606868656 /nfs/dbraw/zinc/86/86/56/606868656.db2.gz YJNYELASECUGOO-UHFFFAOYSA-N -1 3 391.284 3.253 20 30 GGEDHM N#Cc1ccc(F)c(COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000822830238 606868658 /nfs/dbraw/zinc/86/86/58/606868658.db2.gz YJNYELASECUGOO-UHFFFAOYSA-N -1 3 391.284 3.253 20 30 GGEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820031144 606996027 /nfs/dbraw/zinc/99/60/27/606996027.db2.gz AJIROIFEVXFIMP-SFHVURJKSA-N -1 3 395.394 3.024 20 30 GGEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820031144 606996028 /nfs/dbraw/zinc/99/60/28/606996028.db2.gz AJIROIFEVXFIMP-SFHVURJKSA-N -1 3 395.394 3.024 20 30 GGEDHM C=CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1ccncc1 ZINC000819766161 607006140 /nfs/dbraw/zinc/00/61/40/607006140.db2.gz VQRYORIQZASDJL-UHFFFAOYSA-N -1 3 394.439 3.138 20 30 GGEDHM C=CCn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1ccncc1 ZINC000819766161 607006142 /nfs/dbraw/zinc/00/61/42/607006142.db2.gz VQRYORIQZASDJL-UHFFFAOYSA-N -1 3 394.439 3.138 20 30 GGEDHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000820555449 607015135 /nfs/dbraw/zinc/01/51/35/607015135.db2.gz LGEDFJISAVVAOO-SNVBAGLBSA-N -1 3 396.501 3.408 20 30 GGEDHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000820555449 607015136 /nfs/dbraw/zinc/01/51/36/607015136.db2.gz LGEDFJISAVVAOO-SNVBAGLBSA-N -1 3 396.501 3.408 20 30 GGEDHM C=CCn1c(SCc2cc(-c3nnn[n-]3)ccc2F)nnc1-c1ccccn1 ZINC000819764540 607019425 /nfs/dbraw/zinc/01/94/25/607019425.db2.gz IWOBYFJKQZCQGS-UHFFFAOYSA-N -1 3 394.439 3.138 20 30 GGEDHM C=CCn1c(SCc2cc(-c3nn[n-]n3)ccc2F)nnc1-c1ccccn1 ZINC000819764540 607019427 /nfs/dbraw/zinc/01/94/27/607019427.db2.gz IWOBYFJKQZCQGS-UHFFFAOYSA-N -1 3 394.439 3.138 20 30 GGEDHM N#Cc1cnc(Oc2ccc(Br)cc2-c2nnn[n-]2)c(Cl)c1 ZINC000822842686 607046413 /nfs/dbraw/zinc/04/64/13/607046413.db2.gz UFRVRIONFWYLRU-UHFFFAOYSA-N -1 3 377.589 3.342 20 30 GGEDHM N#Cc1cnc(Oc2ccc(Br)cc2-c2nn[n-]n2)c(Cl)c1 ZINC000822842686 607046415 /nfs/dbraw/zinc/04/64/15/607046415.db2.gz UFRVRIONFWYLRU-UHFFFAOYSA-N -1 3 377.589 3.342 20 30 GGEDHM CCCn1nc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1C ZINC000821147729 607111209 /nfs/dbraw/zinc/11/12/09/607111209.db2.gz IKXNBCMVHSYSRV-HJWRWDBZSA-N -1 3 379.468 3.042 20 30 GGEDHM CCCn1nc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1C ZINC000821147729 607111210 /nfs/dbraw/zinc/11/12/10/607111210.db2.gz IKXNBCMVHSYSRV-HJWRWDBZSA-N -1 3 379.468 3.042 20 30 GGEDHM Cc1sc2ncnc(N=NCc3c[nH]c4ccc(-c5nnn[n-]5)cc34)c2c1C ZINC000822563934 607145872 /nfs/dbraw/zinc/14/58/72/607145872.db2.gz QLYGSZPISBBBKU-UHFFFAOYSA-N -1 3 389.448 3.416 20 30 GGEDHM Cc1sc2ncnc(N=NCc3c[nH]c4ccc(-c5nn[n-]n5)cc34)c2c1C ZINC000822563934 607145874 /nfs/dbraw/zinc/14/58/74/607145874.db2.gz QLYGSZPISBBBKU-UHFFFAOYSA-N -1 3 389.448 3.416 20 30 GGEDHM COc1ccc(C=CC(=O)c2cnn(Cc3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000821786239 607150857 /nfs/dbraw/zinc/15/08/57/607150857.db2.gz BZXYORTXNLMBNF-CLFYSBASSA-N -1 3 386.415 3.016 20 30 GGEDHM COc1ccc(C=CC(=O)c2cnn(Cc3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000821786239 607150858 /nfs/dbraw/zinc/15/08/58/607150858.db2.gz BZXYORTXNLMBNF-CLFYSBASSA-N -1 3 386.415 3.016 20 30 GGEDHM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000822924224 607171818 /nfs/dbraw/zinc/17/18/18/607171818.db2.gz ZFBIWZOYGBKUFP-FPLPWBNLSA-N -1 3 378.342 3.431 20 30 GGEDHM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000822924224 607171819 /nfs/dbraw/zinc/17/18/19/607171819.db2.gz ZFBIWZOYGBKUFP-FPLPWBNLSA-N -1 3 378.342 3.431 20 30 GGEDHM Cc1cccc(-c2cncc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2)c1 ZINC000822283752 607238216 /nfs/dbraw/zinc/23/82/16/607238216.db2.gz CAXLRIABUIHYIV-UHFFFAOYSA-N -1 3 381.399 3.361 20 30 GGEDHM Cc1cccc(-c2cncc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2)c1 ZINC000822283752 607238217 /nfs/dbraw/zinc/23/82/17/607238217.db2.gz CAXLRIABUIHYIV-UHFFFAOYSA-N -1 3 381.399 3.361 20 30 GGEDHM CCOC(=O)Nc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000825545583 607784582 /nfs/dbraw/zinc/78/45/82/607784582.db2.gz TYAOCDGLKCCPFQ-LBPRGKRZSA-N -1 3 377.408 3.480 20 30 GGEDHM CCOC(=O)Nc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000825545583 607784583 /nfs/dbraw/zinc/78/45/83/607784583.db2.gz TYAOCDGLKCCPFQ-LBPRGKRZSA-N -1 3 377.408 3.480 20 30 GGEDHM C[C@@H](OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(C)(C)C#N ZINC000824723511 607807058 /nfs/dbraw/zinc/80/70/58/607807058.db2.gz RKPZAFIKHBMGTE-GFCCVEGCSA-N -1 3 381.392 3.134 20 30 GGEDHM COc1cc(Cl)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826179745 607816306 /nfs/dbraw/zinc/81/63/06/607816306.db2.gz CGEGVCXTNFLNHE-UHFFFAOYSA-N -1 3 377.235 3.306 20 30 GGEDHM COc1cc(Cl)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826179745 607816307 /nfs/dbraw/zinc/81/63/07/607816307.db2.gz CGEGVCXTNFLNHE-UHFFFAOYSA-N -1 3 377.235 3.306 20 30 GGEDHM Cc1nn(-c2ccc(Cl)cc2)cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826331573 607890521 /nfs/dbraw/zinc/89/05/21/607890521.db2.gz OMHPASIZEFQHKY-UHFFFAOYSA-N -1 3 392.854 3.138 20 30 GGEDHM Cc1nn(-c2ccc(Cl)cc2)cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826331573 607890522 /nfs/dbraw/zinc/89/05/22/607890522.db2.gz OMHPASIZEFQHKY-UHFFFAOYSA-N -1 3 392.854 3.138 20 30 GGEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C(C)(C)C)C2 ZINC000823856783 607920997 /nfs/dbraw/zinc/92/09/97/607920997.db2.gz YGJBJFIRINZFPG-GFCCVEGCSA-N -1 3 387.509 3.058 20 30 GGEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)(C)C)C2 ZINC000823856783 607920998 /nfs/dbraw/zinc/92/09/98/607920998.db2.gz YGJBJFIRINZFPG-GFCCVEGCSA-N -1 3 387.509 3.058 20 30 GGEDHM CCN(Cc1cccc(C(=O)OC)c1C#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435269 607921416 /nfs/dbraw/zinc/92/14/16/607921416.db2.gz RQLFJFGNMURFIJ-CQSZACIVSA-N -1 3 390.447 3.108 20 30 GGEDHM C#CC[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000823837322 607959706 /nfs/dbraw/zinc/95/97/06/607959706.db2.gz BLKZYNNEXBRSNL-FQEVSTJZSA-N -1 3 386.459 3.305 20 30 GGEDHM C#CC[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000823837322 607959707 /nfs/dbraw/zinc/95/97/07/607959707.db2.gz BLKZYNNEXBRSNL-FQEVSTJZSA-N -1 3 386.459 3.305 20 30 GGEDHM C#CC[C@H](NC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823837648 607959952 /nfs/dbraw/zinc/95/99/52/607959952.db2.gz FFIOJOBOOPBQFE-FQEVSTJZSA-N -1 3 386.459 3.329 20 30 GGEDHM C#CC[C@H](NC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823837648 607959953 /nfs/dbraw/zinc/95/99/53/607959953.db2.gz FFIOJOBOOPBQFE-FQEVSTJZSA-N -1 3 386.459 3.329 20 30 GGEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000826304774 608052140 /nfs/dbraw/zinc/05/21/40/608052140.db2.gz XQQCWVNCYXLMRJ-IBGZPJMESA-N -1 3 397.442 3.173 20 30 GGEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000826304774 608052141 /nfs/dbraw/zinc/05/21/41/608052141.db2.gz XQQCWVNCYXLMRJ-IBGZPJMESA-N -1 3 397.442 3.173 20 30 GGEDHM C=CCOc1cccc(CNc2cc(-c3nnn[n-]3)ccc2OCCOC)c1 ZINC000823932149 608135195 /nfs/dbraw/zinc/13/51/95/608135195.db2.gz QBTUJFIUVGBUFP-UHFFFAOYSA-N -1 3 381.436 3.069 20 30 GGEDHM C=CCOc1cccc(CNc2cc(-c3nn[n-]n3)ccc2OCCOC)c1 ZINC000823932149 608135196 /nfs/dbraw/zinc/13/51/96/608135196.db2.gz QBTUJFIUVGBUFP-UHFFFAOYSA-N -1 3 381.436 3.069 20 30 GGEDHM C#CCCCCC(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000823837529 608292450 /nfs/dbraw/zinc/29/24/50/608292450.db2.gz DRZGSSFYSVFQQO-UHFFFAOYSA-N -1 3 376.420 3.495 20 30 GGEDHM C=CCCO[C@@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823899101 608328528 /nfs/dbraw/zinc/32/85/28/608328528.db2.gz LMGZIYPTYJQOQQ-HNNXBMFYSA-N -1 3 377.448 3.131 20 30 GGEDHM C=CCCO[C@@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823899101 608328530 /nfs/dbraw/zinc/32/85/30/608328530.db2.gz LMGZIYPTYJQOQQ-HNNXBMFYSA-N -1 3 377.448 3.131 20 30 GGEDHM C#C[C@H](Cc1ccccc1)OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823839104 608332075 /nfs/dbraw/zinc/33/20/75/608332075.db2.gz ZMUPUODMHDDXIR-LJQANCHMSA-N -1 3 390.443 3.204 20 30 GGEDHM C#C[C@H](Cc1ccccc1)OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823839104 608332077 /nfs/dbraw/zinc/33/20/77/608332077.db2.gz ZMUPUODMHDDXIR-LJQANCHMSA-N -1 3 390.443 3.204 20 30 GGEDHM CC(C)(C)OCc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824119335 608341532 /nfs/dbraw/zinc/34/15/32/608341532.db2.gz FSRLOTKZQKIFFX-UHFFFAOYSA-N -1 3 376.420 3.306 20 30 GGEDHM CC(C)(C)OCc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824119335 608341534 /nfs/dbraw/zinc/34/15/34/608341534.db2.gz FSRLOTKZQKIFFX-UHFFFAOYSA-N -1 3 376.420 3.306 20 30 GGEDHM O=C1c2ccc(Br)cc2OCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475915 608387539 /nfs/dbraw/zinc/38/75/39/608387539.db2.gz WBNPLWASPUTXDG-GHXNOFRVSA-N -1 3 383.205 3.288 20 30 GGEDHM O=C1c2ccc(Br)cc2OCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475915 608387541 /nfs/dbraw/zinc/38/75/41/608387541.db2.gz WBNPLWASPUTXDG-GHXNOFRVSA-N -1 3 383.205 3.288 20 30 GGEDHM N#Cc1ccc(C(F)(F)F)nc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826384787 608442668 /nfs/dbraw/zinc/44/26/68/608442668.db2.gz JVEUVTYKVSRFCA-UHFFFAOYSA-N -1 3 397.364 3.446 20 30 GGEDHM N#Cc1ccc(C(F)(F)F)nc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826384787 608442669 /nfs/dbraw/zinc/44/26/69/608442669.db2.gz JVEUVTYKVSRFCA-UHFFFAOYSA-N -1 3 397.364 3.446 20 30 GGEDHM N#CCc1ccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826382718 608471397 /nfs/dbraw/zinc/47/13/97/608471397.db2.gz RQCDHQFCJZRCPP-UHFFFAOYSA-N -1 3 385.431 3.254 20 30 GGEDHM N#CCc1ccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826382718 608471398 /nfs/dbraw/zinc/47/13/98/608471398.db2.gz RQCDHQFCJZRCPP-UHFFFAOYSA-N -1 3 385.431 3.254 20 30 GGEDHM FC(F)SCc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)o1 ZINC000826370477 608536502 /nfs/dbraw/zinc/53/65/02/608536502.db2.gz VCXVZWATCAWNQA-UHFFFAOYSA-N -1 3 385.787 3.410 20 30 GGEDHM FC(F)SCc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)o1 ZINC000826370477 608536504 /nfs/dbraw/zinc/53/65/04/608536504.db2.gz VCXVZWATCAWNQA-UHFFFAOYSA-N -1 3 385.787 3.410 20 30 GGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC(C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000826350169 608536555 /nfs/dbraw/zinc/53/65/55/608536555.db2.gz KUNBKEFXJQOASR-LBPRGKRZSA-N -1 3 383.843 3.158 20 30 GGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC(C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000826350169 608536556 /nfs/dbraw/zinc/53/65/56/608536556.db2.gz KUNBKEFXJQOASR-LBPRGKRZSA-N -1 3 383.843 3.158 20 30 GGEDHM Fc1cccc(N2CCCC2)c1C=[NH+][N-]c1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826377198 608539661 /nfs/dbraw/zinc/53/96/61/608539661.db2.gz IOZRXIQWNVGPHX-UHFFFAOYSA-N -1 3 386.822 3.100 20 30 GGEDHM Fc1cccc(N2CCCC2)c1C=[NH+][N-]c1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826377198 608539663 /nfs/dbraw/zinc/53/96/63/608539663.db2.gz IOZRXIQWNVGPHX-UHFFFAOYSA-N -1 3 386.822 3.100 20 30 GGEDHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824206675 608832561 /nfs/dbraw/zinc/83/25/61/608832561.db2.gz GKUPNWMAZFOHGR-QGZVFWFLSA-N -1 3 396.838 3.434 20 30 GGEDHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824206675 608832562 /nfs/dbraw/zinc/83/25/62/608832562.db2.gz GKUPNWMAZFOHGR-QGZVFWFLSA-N -1 3 396.838 3.434 20 30 GGEDHM O=C(C=Cc1cnc(-c2ccncc2)s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826402934 609134680 /nfs/dbraw/zinc/13/46/80/609134680.db2.gz GFPOXQGECUCVOV-RQOWECAXSA-N -1 3 378.392 3.420 20 30 GGEDHM O=C(C=Cc1cnc(-c2ccncc2)s1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826402934 609134681 /nfs/dbraw/zinc/13/46/81/609134681.db2.gz GFPOXQGECUCVOV-RQOWECAXSA-N -1 3 378.392 3.420 20 30 GGEDHM N#CC1(c2ccc(C(=O)Nc3sc4c(c3-c3nnn[n-]3)CCC4)cc2)CC1 ZINC000826380422 609143550 /nfs/dbraw/zinc/14/35/50/609143550.db2.gz ZVGPWASJGYEDBG-UHFFFAOYSA-N -1 3 376.445 3.224 20 30 GGEDHM N#CC1(c2ccc(C(=O)Nc3sc4c(c3-c3nn[n-]n3)CCC4)cc2)CC1 ZINC000826380422 609143552 /nfs/dbraw/zinc/14/35/52/609143552.db2.gz ZVGPWASJGYEDBG-UHFFFAOYSA-N -1 3 376.445 3.224 20 30 GGEDHM C=CCOCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000823925828 609156452 /nfs/dbraw/zinc/15/64/52/609156452.db2.gz OGFTWOYRRQFSTH-UHFFFAOYSA-N -1 3 394.435 3.292 20 30 GGEDHM C=CCOCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000823925828 609156453 /nfs/dbraw/zinc/15/64/53/609156453.db2.gz OGFTWOYRRQFSTH-UHFFFAOYSA-N -1 3 394.435 3.292 20 30 GGEDHM C=CCOCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823925375 609157656 /nfs/dbraw/zinc/15/76/56/609157656.db2.gz JGGXUAZKJHJKFN-UHFFFAOYSA-N -1 3 398.398 3.122 20 30 GGEDHM C=CCOCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823925375 609157657 /nfs/dbraw/zinc/15/76/57/609157657.db2.gz JGGXUAZKJHJKFN-UHFFFAOYSA-N -1 3 398.398 3.122 20 30 GGEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824035064 609158880 /nfs/dbraw/zinc/15/88/80/609158880.db2.gz SKSKWRYOPCCRTJ-SNVBAGLBSA-N -1 3 383.799 3.455 20 30 GGEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824035064 609158882 /nfs/dbraw/zinc/15/88/82/609158882.db2.gz SKSKWRYOPCCRTJ-SNVBAGLBSA-N -1 3 383.799 3.455 20 30 GGEDHM C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824034790 609164232 /nfs/dbraw/zinc/16/42/32/609164232.db2.gz PFXQFCSVAMELOL-OLZOCXBDSA-N -1 3 377.408 3.040 20 30 GGEDHM C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824034790 609164233 /nfs/dbraw/zinc/16/42/33/609164233.db2.gz PFXQFCSVAMELOL-OLZOCXBDSA-N -1 3 377.408 3.040 20 30 GGEDHM N#Cc1cccc(-c2c[nH]c(CNc3cc(-c4nnn[n-]4)c4ccccc4n3)n2)c1 ZINC000826386841 609167119 /nfs/dbraw/zinc/16/71/19/609167119.db2.gz UYYNANKGNFVBND-UHFFFAOYSA-N -1 3 393.414 3.289 20 30 GGEDHM N#Cc1cccc(-c2c[nH]c(CNc3cc(-c4nn[n-]n4)c4ccccc4n3)n2)c1 ZINC000826386841 609167120 /nfs/dbraw/zinc/16/71/20/609167120.db2.gz UYYNANKGNFVBND-UHFFFAOYSA-N -1 3 393.414 3.289 20 30 GGEDHM N#Cc1cccc(-c2c[nH]c(CNc3cc(Cl)ccc3-c3nnn[n-]3)n2)c1 ZINC000826386816 609167193 /nfs/dbraw/zinc/16/71/93/609167193.db2.gz UEEIFGNNAGGYMG-UHFFFAOYSA-N -1 3 376.811 3.394 20 30 GGEDHM N#Cc1cccc(-c2c[nH]c(CNc3cc(Cl)ccc3-c3nn[n-]n3)n2)c1 ZINC000826386816 609167194 /nfs/dbraw/zinc/16/71/94/609167194.db2.gz UEEIFGNNAGGYMG-UHFFFAOYSA-N -1 3 376.811 3.394 20 30 GGEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cc(C#N)cs2)c1-c1nnn[n-]1 ZINC000826234224 609168115 /nfs/dbraw/zinc/16/81/15/609168115.db2.gz MYKXRNKBIXOLQJ-UHFFFAOYSA-N -1 3 389.444 3.460 20 30 GGEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cc(C#N)cs2)c1-c1nn[n-]n1 ZINC000826234224 609168116 /nfs/dbraw/zinc/16/81/16/609168116.db2.gz MYKXRNKBIXOLQJ-UHFFFAOYSA-N -1 3 389.444 3.460 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccccc1SC ZINC000823910027 609179776 /nfs/dbraw/zinc/17/97/76/609179776.db2.gz WKEAKHRQAXHJIP-UHFFFAOYSA-N -1 3 379.489 3.346 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccccc1SC ZINC000823910027 609179778 /nfs/dbraw/zinc/17/97/78/609179778.db2.gz WKEAKHRQAXHJIP-UHFFFAOYSA-N -1 3 379.489 3.346 20 30 GGEDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nn1-c1cc(C)cc(C)c1 ZINC000826263555 609187868 /nfs/dbraw/zinc/18/78/68/609187868.db2.gz HFBMNBVZUKYEMR-UHFFFAOYSA-N -1 3 398.430 3.102 20 30 GGEDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nn1-c1cc(C)cc(C)c1 ZINC000826263555 609187870 /nfs/dbraw/zinc/18/78/70/609187870.db2.gz HFBMNBVZUKYEMR-UHFFFAOYSA-N -1 3 398.430 3.102 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(-c2ccc(C#N)cc2)n1 ZINC000826359226 609272365 /nfs/dbraw/zinc/27/23/65/609272365.db2.gz AIVNZZVCWQHNDO-CLFYSBASSA-N -1 3 399.389 3.174 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(-c2ccc(C#N)cc2)n1 ZINC000826359226 609272366 /nfs/dbraw/zinc/27/23/66/609272366.db2.gz AIVNZZVCWQHNDO-CLFYSBASSA-N -1 3 399.389 3.174 20 30 GGEDHM Cn1cc(C=NNc2cc(F)c(F)c(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360416 609306457 /nfs/dbraw/zinc/30/64/57/609306457.db2.gz JNZNWWGLUBNIGJ-UHFFFAOYSA-N -1 3 398.352 3.131 20 30 GGEDHM Cn1cc(C=NNc2cc(F)c(F)c(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360416 609306459 /nfs/dbraw/zinc/30/64/59/609306459.db2.gz JNZNWWGLUBNIGJ-UHFFFAOYSA-N -1 3 398.352 3.131 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccc(C#N)s2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359596 609309894 /nfs/dbraw/zinc/30/98/94/609309894.db2.gz LRUJKPVJLMEMTO-VURMDHGXSA-N -1 3 387.428 3.096 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccc(C#N)s2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359596 609309895 /nfs/dbraw/zinc/30/98/95/609309895.db2.gz LRUJKPVJLMEMTO-VURMDHGXSA-N -1 3 387.428 3.096 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccc3c(c2)CCO3)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360024 609310183 /nfs/dbraw/zinc/31/01/83/609310183.db2.gz VQEGOCQHVIHOLE-VURMDHGXSA-N -1 3 398.426 3.098 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccc3c(c2)CCO3)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360024 609310186 /nfs/dbraw/zinc/31/01/86/609310186.db2.gz VQEGOCQHVIHOLE-VURMDHGXSA-N -1 3 398.426 3.098 20 30 GGEDHM C=CCCC[C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823894141 609357481 /nfs/dbraw/zinc/35/74/81/609357481.db2.gz IOOUGILAGGGSDY-GFCCVEGCSA-N -1 3 384.419 3.058 20 30 GGEDHM CC(C)CCN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824249144 609363355 /nfs/dbraw/zinc/36/33/55/609363355.db2.gz IGDAIIQOIAVQBU-UHFFFAOYSA-N -1 3 377.290 3.391 20 30 GGEDHM CC(C)CCN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824249144 609363356 /nfs/dbraw/zinc/36/33/56/609363356.db2.gz IGDAIIQOIAVQBU-UHFFFAOYSA-N -1 3 377.290 3.391 20 30 GGEDHM N#Cc1ccc(N2CCC[C@@H](Sc3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000826385545 609418999 /nfs/dbraw/zinc/41/89/99/609418999.db2.gz QKKRGKYNGBOXHO-QGZVFWFLSA-N -1 3 376.445 3.026 20 30 GGEDHM N#Cc1ccc(N2CCC[C@@H](Sc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000826385545 609419001 /nfs/dbraw/zinc/41/90/01/609419001.db2.gz QKKRGKYNGBOXHO-QGZVFWFLSA-N -1 3 376.445 3.026 20 30 GGEDHM N#Cc1ccc(N2CCC[C@H](Sc3ccccc3-c3nnn[n-]3)C2=O)cc1 ZINC000826385205 609421630 /nfs/dbraw/zinc/42/16/30/609421630.db2.gz BIDMAQXKQSSDSC-KRWDZBQOSA-N -1 3 376.445 3.026 20 30 GGEDHM N#Cc1ccc(N2CCC[C@H](Sc3ccccc3-c3nn[n-]n3)C2=O)cc1 ZINC000826385205 609421632 /nfs/dbraw/zinc/42/16/32/609421632.db2.gz BIDMAQXKQSSDSC-KRWDZBQOSA-N -1 3 376.445 3.026 20 30 GGEDHM CC(C)c1nn(C)c(Cl)c1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824364902 609474968 /nfs/dbraw/zinc/47/49/68/609474968.db2.gz VAJJHKRHQZCEFS-UHFFFAOYSA-N -1 3 379.255 3.476 20 30 GGEDHM CC(C)c1nn(C)c(Cl)c1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824364902 609474970 /nfs/dbraw/zinc/47/49/70/609474970.db2.gz VAJJHKRHQZCEFS-UHFFFAOYSA-N -1 3 379.255 3.476 20 30 GGEDHM N#Cc1ccc(-n2ccc(NCc3cccc(-c4nnn[n-]4)c3F)n2)c(Cl)c1 ZINC000826384146 609482468 /nfs/dbraw/zinc/48/24/68/609482468.db2.gz IQFZVFXDZFSZNF-UHFFFAOYSA-N -1 3 394.801 3.329 20 30 GGEDHM N#Cc1ccc(-n2ccc(NCc3cccc(-c4nn[n-]n4)c3F)n2)c(Cl)c1 ZINC000826384146 609482470 /nfs/dbraw/zinc/48/24/70/609482470.db2.gz IQFZVFXDZFSZNF-UHFFFAOYSA-N -1 3 394.801 3.329 20 30 GGEDHM Cc1c(Cl)cnc(N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826237730 609563695 /nfs/dbraw/zinc/56/36/95/609563695.db2.gz JNXDXBTZNJHQIG-GOEBONIOSA-N -1 3 379.855 3.500 20 30 GGEDHM Cc1c(Cl)cnc(N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826237730 609563698 /nfs/dbraw/zinc/56/36/98/609563698.db2.gz JNXDXBTZNJHQIG-GOEBONIOSA-N -1 3 379.855 3.500 20 30 GGEDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(CNc2ccc(C#N)cn2)cc1 ZINC000824648043 609593727 /nfs/dbraw/zinc/59/37/27/609593727.db2.gz CZZBZCIXKGSYMG-AWEZNQCLSA-N -1 3 397.446 3.314 20 30 GGEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(CNc2ccc(C#N)cn2)cc1 ZINC000824648043 609593728 /nfs/dbraw/zinc/59/37/28/609593728.db2.gz CZZBZCIXKGSYMG-AWEZNQCLSA-N -1 3 397.446 3.314 20 30 GGEDHM Cc1[nH]c2ccccc2c1C(=O)COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000007673954 1398726509 /nfs/dbraw/zinc/72/65/09/1398726509.db2.gz PSXDRRQWNINZJT-UHFFFAOYSA-N -1 3 391.427 3.012 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1coc(-c2cccs2)n1 ZINC000007674095 1398726607 /nfs/dbraw/zinc/72/66/07/1398726607.db2.gz BHGIQYWPIJBJDC-UHFFFAOYSA-N -1 3 383.429 3.256 20 30 GGEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1N1CCCC1 ZINC000011325940 1398970399 /nfs/dbraw/zinc/97/03/99/1398970399.db2.gz AOQFMMKENUNETD-UHFFFAOYSA-N -1 3 378.476 3.343 20 30 GGEDHM CCCC(=O)Nc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000055550229 1406997530 /nfs/dbraw/zinc/99/75/30/1406997530.db2.gz JBNPBZNIQJHTAY-UHFFFAOYSA-N -1 3 380.448 3.173 20 30 GGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1 ZINC000055567483 1407005842 /nfs/dbraw/zinc/00/58/42/1407005842.db2.gz SAQPXXVBJUFWHD-UHFFFAOYSA-N -1 3 399.516 3.312 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(OCCCC#N)c1 ZINC000055569443 1407006221 /nfs/dbraw/zinc/00/62/21/1407006221.db2.gz VDIHMFQQKPZTHL-UHFFFAOYSA-N -1 3 378.432 3.117 20 30 GGEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1 ZINC000055580915 1407011009 /nfs/dbraw/zinc/01/10/09/1407011009.db2.gz QUQZSHPKKQWFDO-UHFFFAOYSA-N -1 3 375.450 3.112 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000016301916 1399229244 /nfs/dbraw/zinc/22/92/44/1399229244.db2.gz RSRSLGJVBSMZSO-UHFFFAOYSA-N -1 3 377.366 3.131 20 30 GGEDHM CCOc1cc2c(cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)O[C@@H](C)C2 ZINC000016303220 1399229782 /nfs/dbraw/zinc/22/97/82/1399229782.db2.gz SRJNLTVCZYCWGU-LBPRGKRZSA-N -1 3 395.459 3.157 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000016723098 1399258396 /nfs/dbraw/zinc/25/83/96/1399258396.db2.gz RVNQHBURZIUPNB-UHFFFAOYSA-N -1 3 385.493 3.334 20 30 GGEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1OCC(F)(F)F ZINC000055595636 1407018909 /nfs/dbraw/zinc/01/89/09/1407018909.db2.gz ARZWICBLGNFXFN-UHFFFAOYSA-N -1 3 398.362 3.235 20 30 GGEDHM CC(C)NS(=O)(=O)Cc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000028693888 1400186488 /nfs/dbraw/zinc/18/64/88/1400186488.db2.gz FDAASGMUPKJQJW-RGVLZGJSSA-N -1 3 380.897 3.493 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1F ZINC000029005434 1400224013 /nfs/dbraw/zinc/22/40/13/1400224013.db2.gz FGSMVCJJSMSDCE-UHFFFAOYSA-N -1 3 398.843 3.204 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000056149011 1407227711 /nfs/dbraw/zinc/22/77/11/1407227711.db2.gz VGVGXXKQKZKHNM-IBGZPJMESA-N -1 3 393.487 3.004 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000056288009 1407280939 /nfs/dbraw/zinc/28/09/39/1407280939.db2.gz GOXRKAGXLVGASI-UHFFFAOYSA-N -1 3 396.447 3.141 20 30 GGEDHM Cc1ncc(-c2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2)o1 ZINC000043965904 1403854293 /nfs/dbraw/zinc/85/42/93/1403854293.db2.gz PKTQGPATSMQLHY-UHFFFAOYSA-N -1 3 376.416 3.398 20 30 GGEDHM COc1ccc(OC(F)F)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000044587734 1403958010 /nfs/dbraw/zinc/95/80/10/1403958010.db2.gz CNBMGAMPABIVLC-UHFFFAOYSA-N -1 3 391.374 3.045 20 30 GGEDHM CCOC(=O)Nc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000044606578 1403962012 /nfs/dbraw/zinc/96/20/12/1403962012.db2.gz XTUNALRXHNLJAN-UHFFFAOYSA-N -1 3 382.420 3.003 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000044619932 1403964567 /nfs/dbraw/zinc/96/45/67/1403964567.db2.gz JXYRTKZLDAIBMA-GFCCVEGCSA-N -1 3 389.402 3.275 20 30 GGEDHM CCCCOc1cccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000044798868 1404004332 /nfs/dbraw/zinc/00/43/32/1404004332.db2.gz OMRGGNBZPGBQBQ-UHFFFAOYSA-N -1 3 381.476 3.291 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000045239010 1404080553 /nfs/dbraw/zinc/08/05/53/1404080553.db2.gz HNYWHEDQNCWOLC-OAHLLOKOSA-N -1 3 381.476 3.461 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)ccc1F ZINC000045341539 1404101658 /nfs/dbraw/zinc/10/16/58/1404101658.db2.gz ANZOYDNGZGNYMY-CYBMUJFWSA-N -1 3 394.443 3.262 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1F ZINC000045348945 1404104242 /nfs/dbraw/zinc/10/42/42/1404104242.db2.gz MSBRMIZALFJYRT-GOSISDBHSA-N -1 3 388.464 3.267 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccccc2F)ccc1F ZINC000045397120 1404113055 /nfs/dbraw/zinc/11/30/55/1404113055.db2.gz YAWDMVDORPVFMX-ZDUSSCGKSA-N -1 3 394.443 3.262 20 30 GGEDHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)cc1S(=O)(=O)N1CCCCC1 ZINC000046440018 1404415723 /nfs/dbraw/zinc/41/57/23/1404415723.db2.gz TUOZWGKCQCKZEL-KRWDZBQOSA-N -1 3 383.473 3.055 20 30 GGEDHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C([O-])=C(C#N)c3ccccn3)c2)C1 ZINC000046439927 1404415915 /nfs/dbraw/zinc/41/59/15/1404415915.db2.gz PSICLSKWIMTNHQ-FCEWJHQRSA-N -1 3 397.500 3.238 20 30 GGEDHM CCCOCc1ccccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000046535706 1404468707 /nfs/dbraw/zinc/46/87/07/1404468707.db2.gz OCDSEQNAEPFANG-UHFFFAOYSA-N -1 3 381.476 3.039 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000046620134 1404515006 /nfs/dbraw/zinc/51/50/06/1404515006.db2.gz OBBOYLYJJNUCBV-UHFFFAOYSA-N -1 3 389.415 3.017 20 30 GGEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000047342827 1404811606 /nfs/dbraw/zinc/81/16/06/1404811606.db2.gz GPXXNFVWQZQCMH-UHFFFAOYSA-N -1 3 387.403 3.140 20 30 GGEDHM CCN(C[C@@H](C)C#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000047534197 1404860298 /nfs/dbraw/zinc/86/02/98/1404860298.db2.gz ZLIMIYOUWFACJD-AWEZNQCLSA-N -1 3 389.452 3.248 20 30 GGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)c2)n1 ZINC000049302547 1405363513 /nfs/dbraw/zinc/36/35/13/1405363513.db2.gz CWRWAKDWCRYCFC-AWEZNQCLSA-N -1 3 388.427 3.277 20 30 GGEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049392287 1405375109 /nfs/dbraw/zinc/37/51/09/1405375109.db2.gz WLKQYSHBNCVDMG-KRWDZBQOSA-N -1 3 388.431 3.475 20 30 GGEDHM N#CC(=C([O-])c1ccc(-n2cccc2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393262 1405376056 /nfs/dbraw/zinc/37/60/56/1405376056.db2.gz GPGSKLKEXWMIQC-SFHVURJKSA-N -1 3 395.426 3.478 20 30 GGEDHM C=CCOc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000057368497 1407597866 /nfs/dbraw/zinc/59/78/66/1407597866.db2.gz NXITTXWBCROLLZ-UHFFFAOYSA-N -1 3 390.436 3.084 20 30 GGEDHM COCCCCN(Cc1ccccc1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000057417745 1407611829 /nfs/dbraw/zinc/61/18/29/1407611829.db2.gz FJFFAZUHXRLBQY-UHFFFAOYSA-N -1 3 395.503 3.251 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000060957570 1408056718 /nfs/dbraw/zinc/05/67/18/1408056718.db2.gz XEPWCYSSOFXVSE-JOCHJYFZSA-N -1 3 386.455 3.097 20 30 GGEDHM Cn1cc(CN=Nc2cc(F)c(F)cc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360314 1428290684 /nfs/dbraw/zinc/29/06/84/1428290684.db2.gz FYDAJKSFOFYLDR-UHFFFAOYSA-N -1 3 398.352 3.131 20 30 GGEDHM N#CC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000061585941 1408151504 /nfs/dbraw/zinc/15/15/04/1408151504.db2.gz HSMNEEJAGIQGDV-UHFFFAOYSA-N -1 3 387.436 3.002 20 30 GGEDHM COc1ccc(C2(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCCC2)cc1 ZINC000064314452 1408532634 /nfs/dbraw/zinc/53/26/34/1408532634.db2.gz OGBMLOVJYSCDPJ-UHFFFAOYSA-N -1 3 393.487 3.390 20 30 GGEDHM N#Cc1c([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)sc2c1CCCC2 ZINC000066269575 1408800828 /nfs/dbraw/zinc/80/08/28/1408800828.db2.gz JKNXJEYGJVTSRE-UHFFFAOYSA-N -1 3 385.401 3.430 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000066397125 1408830628 /nfs/dbraw/zinc/83/06/28/1408830628.db2.gz WZKIRWJLSMPUHI-HXUWFJFHSA-N -1 3 390.487 3.475 20 30 GGEDHM CCN(CC)c1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000066841384 1408926551 /nfs/dbraw/zinc/92/65/51/1408926551.db2.gz XAPAQOPHHJERMY-UHFFFAOYSA-N -1 3 398.482 3.098 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000066955688 1408963136 /nfs/dbraw/zinc/96/31/36/1408963136.db2.gz MTPYUEZVHRDQPO-CQSZACIVSA-N -1 3 398.488 3.338 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccccc1OCC(F)(F)F ZINC000067644764 1409194456 /nfs/dbraw/zinc/19/44/56/1409194456.db2.gz XNERUPIMOLEHQZ-UHFFFAOYSA-N -1 3 394.349 3.343 20 30 GGEDHM Cc1ccc(-n2cnnc2SCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000067660178 1409200718 /nfs/dbraw/zinc/20/07/18/1409200718.db2.gz JQNPBBNSRRQLEP-UHFFFAOYSA-N -1 3 383.359 3.093 20 30 GGEDHM Cc1ccc(-n2cnnc2SCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000067660178 1409200723 /nfs/dbraw/zinc/20/07/23/1409200723.db2.gz JQNPBBNSRRQLEP-UHFFFAOYSA-N -1 3 383.359 3.093 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000176622376 1428382864 /nfs/dbraw/zinc/38/28/64/1428382864.db2.gz DICVSSIKDQRCIB-UHFFFAOYSA-N -1 3 376.416 3.453 20 30 GGEDHM N#Cc1cccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000176628687 1428384980 /nfs/dbraw/zinc/38/49/80/1428384980.db2.gz KHZQMLYCPPIOSN-UHFFFAOYSA-N -1 3 383.835 3.408 20 30 GGEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3nccc3C)cc2)n1 ZINC000067895598 1409250821 /nfs/dbraw/zinc/25/08/21/1409250821.db2.gz DIAWBZBKZYLXGW-OAHLLOKOSA-N -1 3 380.429 3.304 20 30 GGEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000068757867 1409486402 /nfs/dbraw/zinc/48/64/02/1409486402.db2.gz NODLZJMUVVBFPV-UHFFFAOYSA-N -1 3 381.358 3.266 20 30 GGEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000068757867 1409486404 /nfs/dbraw/zinc/48/64/04/1409486404.db2.gz NODLZJMUVVBFPV-UHFFFAOYSA-N -1 3 381.358 3.266 20 30 GGEDHM C=CCSc1ccccc1NC(=O)CN[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823937392 1428430155 /nfs/dbraw/zinc/43/01/55/1428430155.db2.gz VUOGDWVEVFVFCB-CQSZACIVSA-N -1 3 394.504 3.434 20 30 GGEDHM C=C(C)COc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1OC ZINC000091811253 1410083697 /nfs/dbraw/zinc/08/36/97/1410083697.db2.gz HVWDDTAXDDEUHJ-UHFFFAOYSA-N -1 3 396.487 3.314 20 30 GGEDHM C[C@H](Sc1ncccc1C([O-])=C(C#N)c1ccccn1)C(=O)N1CCCC1 ZINC000102118649 1410565676 /nfs/dbraw/zinc/56/56/76/1410565676.db2.gz SGQJUSFQGPFZGA-HOCLYGCPSA-N -1 3 380.473 3.070 20 30 GGEDHM C[C@@H](Sc1ncccc1C([O-])=C(C#N)c1ccccn1)C(=O)N1CCCC1 ZINC000102118665 1410566409 /nfs/dbraw/zinc/56/64/09/1410566409.db2.gz SGQJUSFQGPFZGA-GDBMZVCRSA-N -1 3 380.473 3.070 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nc(Cl)ccc1Cl ZINC000102155635 1410571480 /nfs/dbraw/zinc/57/14/80/1410571480.db2.gz SMNPJFIFHCHWRR-UHFFFAOYSA-N -1 3 380.231 3.241 20 30 GGEDHM N#Cc1cccc(OCc2ccoc2C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000102889662 1410804281 /nfs/dbraw/zinc/80/42/81/1410804281.db2.gz YOJPOUOVUKWLQK-UHFFFAOYSA-N -1 3 377.282 3.119 20 30 GGEDHM N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000102889662 1410804282 /nfs/dbraw/zinc/80/42/82/1410804282.db2.gz YOJPOUOVUKWLQK-UHFFFAOYSA-N -1 3 377.282 3.119 20 30 GGEDHM CCCN(CCC)C(=O)c1cccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1 ZINC000103330870 1410849531 /nfs/dbraw/zinc/84/95/31/1410849531.db2.gz HQQXGENWCSKJBB-GOSISDBHSA-N -1 3 392.459 3.305 20 30 GGEDHM CC[C@H](/N=C/c1cc(Br)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000103716748 1410871671 /nfs/dbraw/zinc/87/16/71/1410871671.db2.gz VPFGQORLGNUMHO-RPJLVFAOSA-N -1 3 397.294 3.372 20 30 GGEDHM C[C@@H]1Oc2c(cccc2C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)NC1=O ZINC000103796660 1410875324 /nfs/dbraw/zinc/87/53/24/1410875324.db2.gz UIQAXPYRVQZPAZ-CABZTGNLSA-N -1 3 375.306 3.310 20 30 GGEDHM CS(=O)(=O)c1ccc(OCC/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000105935585 1411130682 /nfs/dbraw/zinc/13/06/82/1411130682.db2.gz BZXWVECDYIAJLI-WOJGMQOQSA-N -1 3 398.278 3.056 20 30 GGEDHM Cc1ccc(-n2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c3c2CCC3)c(C)c1 ZINC000106985693 1411333874 /nfs/dbraw/zinc/33/38/74/1411333874.db2.gz QIMUDPAPGFQCNR-QGZVFWFLSA-N -1 3 399.454 3.334 20 30 GGEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000108237625 1411457364 /nfs/dbraw/zinc/45/73/64/1411457364.db2.gz XKUHHBYIGOYCTF-LLVKDONJSA-N -1 3 382.445 3.339 20 30 GGEDHM Cc1ccc(-n2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c3c2CCCC3)cc1 ZINC000108624809 1411559655 /nfs/dbraw/zinc/55/96/55/1411559655.db2.gz CGZMRJAYBNZGDE-SFHVURJKSA-N -1 3 399.454 3.416 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1ccc(F)c(Cl)c1 ZINC000108937857 1411646675 /nfs/dbraw/zinc/64/66/75/1411646675.db2.gz CVDGRFRRBJJHNN-AWEZNQCLSA-N -1 3 397.797 3.329 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc2ncccc21 ZINC000109038643 1411668704 /nfs/dbraw/zinc/66/87/04/1411668704.db2.gz FPMWLLCDMHZXIV-QGZVFWFLSA-N -1 3 396.410 3.085 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc2cccnc21 ZINC000109184604 1411706015 /nfs/dbraw/zinc/70/60/15/1411706015.db2.gz NYGMVCGOGDOIOC-KRWDZBQOSA-N -1 3 396.410 3.085 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(F)(F)F)c1ccccc1 ZINC000109722476 1411806196 /nfs/dbraw/zinc/80/61/96/1411806196.db2.gz JARHPLJQAGBYJK-UHFFFAOYSA-N -1 3 377.366 3.392 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Cl)nc(N2CCCC2)c1 ZINC000112759004 1412213356 /nfs/dbraw/zinc/21/33/56/1412213356.db2.gz VDJQCTGAUWCDRH-CQSZACIVSA-N -1 3 398.850 3.305 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCSC[C@H]1c1ccccc1 ZINC000115235538 1412617681 /nfs/dbraw/zinc/61/76/81/1412617681.db2.gz BOXIHMNTRJSOSX-IBGZPJMESA-N -1 3 381.501 3.113 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)C(C)C)ccc1F ZINC000116827369 1412934314 /nfs/dbraw/zinc/93/43/14/1412934314.db2.gz KBYRSIPWONLRFI-LJQANCHMSA-N -1 3 390.480 3.417 20 30 GGEDHM C=CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000116854648 1412942427 /nfs/dbraw/zinc/94/24/27/1412942427.db2.gz JUOUMCHDRSPXPL-OAHLLOKOSA-N -1 3 388.489 3.499 20 30 GGEDHM C=CC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000116854645 1412942694 /nfs/dbraw/zinc/94/26/94/1412942694.db2.gz JUOUMCHDRSPXPL-HNNXBMFYSA-N -1 3 388.489 3.499 20 30 GGEDHM C=CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000116856345 1412943365 /nfs/dbraw/zinc/94/33/65/1412943365.db2.gz BVQHKCGPNYRQGO-HNNXBMFYSA-N -1 3 388.489 3.499 20 30 GGEDHM C=CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000116856347 1412943704 /nfs/dbraw/zinc/94/37/04/1412943704.db2.gz BVQHKCGPNYRQGO-OAHLLOKOSA-N -1 3 388.489 3.499 20 30 GGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000116905986 1412953598 /nfs/dbraw/zinc/95/35/98/1412953598.db2.gz PBKVUWSQJHKIRE-MRVPVSSYSA-N -1 3 396.690 3.132 20 30 GGEDHM CCOC(=O)c1ccccc1N(CC)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000118621070 1413198694 /nfs/dbraw/zinc/19/86/94/1413198694.db2.gz VBSJIIOJXRFXBO-UHFFFAOYSA-N -1 3 395.459 3.026 20 30 GGEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118878327 1413257150 /nfs/dbraw/zinc/25/71/50/1413257150.db2.gz COTOIUIVWXNRIM-UHFFFAOYSA-N -1 3 380.473 3.192 20 30 GGEDHM CCc1nc2c(s1)[C@@H](N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2 ZINC000119062754 1413321976 /nfs/dbraw/zinc/32/19/76/1413321976.db2.gz CQTZYSLRGIEQIO-KRWDZBQOSA-N -1 3 398.532 3.351 20 30 GGEDHM CCc1cc2c(CSc3nc(N)c(C#N)cc3C#N)cc(=O)oc2cc1[O-] ZINC000119398712 1413434672 /nfs/dbraw/zinc/43/46/72/1413434672.db2.gz WMFXHBSVJVFGQV-UHFFFAOYSA-N -1 3 378.413 3.074 20 30 GGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000119593134 1413497399 /nfs/dbraw/zinc/49/73/99/1413497399.db2.gz INFXHAIQMPEUPU-KRWDZBQOSA-N -1 3 389.371 3.050 20 30 GGEDHM CCc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1Cl ZINC000119771915 1413563507 /nfs/dbraw/zinc/56/35/07/1413563507.db2.gz HXYZIMCOGSRWIS-AWEZNQCLSA-N -1 3 393.834 3.444 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)Cc1nc2ccccc2s1 ZINC000120439584 1413818291 /nfs/dbraw/zinc/81/82/91/1413818291.db2.gz PBUWSDFIPASVFD-GFCCVEGCSA-N -1 3 394.500 3.153 20 30 GGEDHM Cc1c2cc(F)ccc2oc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000120720317 1413884676 /nfs/dbraw/zinc/88/46/76/1413884676.db2.gz UPWRWINKHAMRTG-UHFFFAOYSA-N -1 3 381.407 3.306 20 30 GGEDHM C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccccc1 ZINC000121169395 1414031565 /nfs/dbraw/zinc/03/15/65/1414031565.db2.gz JKMBBNBTJVZIOP-UHFFFAOYSA-N -1 3 376.453 3.345 20 30 GGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(OC)cc3)n2)cc1 ZINC000121302127 1414076916 /nfs/dbraw/zinc/07/69/16/1414076916.db2.gz LHYKIWKIICCDAU-IBGZPJMESA-N -1 3 388.427 3.404 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000121385321 1414103905 /nfs/dbraw/zinc/10/39/05/1414103905.db2.gz AEZPSMRWJKLVCK-GHTZIAJQSA-N -1 3 377.488 3.324 20 30 GGEDHM C=CCNC(=O)c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000121536994 1414166686 /nfs/dbraw/zinc/16/66/86/1414166686.db2.gz YPJJDGLUQONIMM-UHFFFAOYSA-N -1 3 379.391 3.144 20 30 GGEDHM C=CCN(CC=C)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000122286453 1414412391 /nfs/dbraw/zinc/41/23/91/1414412391.db2.gz RPBHXYBWOHOQNR-HMMYKYKNSA-N -1 3 387.439 3.224 20 30 GGEDHM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000122438761 1414460603 /nfs/dbraw/zinc/46/06/03/1414460603.db2.gz DRZSYGYHPKGECQ-KRWDZBQOSA-N -1 3 389.452 3.295 20 30 GGEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000122882392 1414588387 /nfs/dbraw/zinc/58/83/87/1414588387.db2.gz ZXPLWXDTPBHGOV-QUCCMNQESA-N -1 3 397.438 3.319 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(OC2CCCCC2)CC1 ZINC000123359531 1414706074 /nfs/dbraw/zinc/70/60/74/1414706074.db2.gz CDHJIBKJUDRMHN-UHFFFAOYSA-N -1 3 385.508 3.136 20 30 GGEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1OCc1cnn(C)c1 ZINC000123795583 1414825307 /nfs/dbraw/zinc/82/53/07/1414825307.db2.gz MIPBJNDWYDFSKM-HNNXBMFYSA-N -1 3 382.445 3.263 20 30 GGEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)nc2)oc1-c1ccc(Cl)cc1 ZINC000123938056 1414853126 /nfs/dbraw/zinc/85/31/26/1414853126.db2.gz ZDCLWRLDWWJAHR-UHFFFAOYSA-N -1 3 388.836 3.049 20 30 GGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000124009005 1414868486 /nfs/dbraw/zinc/86/84/86/1414868486.db2.gz MUROPYKCBQUEGB-HNNXBMFYSA-N -1 3 399.332 3.247 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000124588512 1415000585 /nfs/dbraw/zinc/00/05/85/1415000585.db2.gz LNVDDCNMNLCPGP-LBPRGKRZSA-N -1 3 375.831 3.466 20 30 GGEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCN3S(C)(=O)=O)n1 ZINC000177771578 1428854553 /nfs/dbraw/zinc/85/45/53/1428854553.db2.gz VNYZYJUDCSUVHN-AWEZNQCLSA-N -1 3 389.502 3.079 20 30 GGEDHM Cc1ccc(C(=O)N[C@@H](C)C#N)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000125075370 1415104539 /nfs/dbraw/zinc/10/45/39/1415104539.db2.gz NNTJOKZUBMMOKA-NSHDSACASA-N -1 3 395.843 3.230 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1cccc(Cl)c1 ZINC000125243994 1415139093 /nfs/dbraw/zinc/13/90/93/1415139093.db2.gz VCVZPFCRFVOMCK-HNNXBMFYSA-N -1 3 379.807 3.190 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nnn1-c1cccc(Cl)c1 ZINC000125522681 1415220192 /nfs/dbraw/zinc/22/01/92/1415220192.db2.gz ZTPKHIPFSQZZQT-QGZVFWFLSA-N -1 3 393.834 3.499 20 30 GGEDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000126107390 1415359918 /nfs/dbraw/zinc/35/99/18/1415359918.db2.gz HQQREUMMIARIMI-UHFFFAOYSA-N -1 3 387.383 3.168 20 30 GGEDHM Cc1ccccc1-n1nc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c2c1CCC2 ZINC000126313666 1415415620 /nfs/dbraw/zinc/41/56/20/1415415620.db2.gz BBOMPATYCMFNOY-MRXNPFEDSA-N -1 3 385.427 3.026 20 30 GGEDHM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000178010563 1428933705 /nfs/dbraw/zinc/93/37/05/1428933705.db2.gz HAONPYAFFGCHRE-UHFFFAOYSA-N -1 3 384.399 3.414 20 30 GGEDHM CC#CCNC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000126647500 1415516572 /nfs/dbraw/zinc/51/65/72/1415516572.db2.gz LKPWISWGBREMKQ-LLVKDONJSA-N -1 3 391.320 3.213 20 30 GGEDHM CC[C@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)Oc1cccc(C)c1 ZINC000178033527 1428947126 /nfs/dbraw/zinc/94/71/26/1428947126.db2.gz IVMLVIFHLMFXIN-QGZVFWFLSA-N -1 3 381.476 3.078 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)Cc2ccc(C)s2)ccc1F ZINC000126978633 1415623434 /nfs/dbraw/zinc/62/34/34/1415623434.db2.gz NDVVSZMGAKWBCS-LBPRGKRZSA-N -1 3 396.509 3.021 20 30 GGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000127177355 1415679275 /nfs/dbraw/zinc/67/92/75/1415679275.db2.gz XWASQTHJRQEIOT-GOSISDBHSA-N -1 3 394.818 3.495 20 30 GGEDHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000127318359 1415735283 /nfs/dbraw/zinc/73/52/83/1415735283.db2.gz ULZLRXSJPZZCQN-UHFFFAOYSA-N -1 3 387.530 3.216 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3Cl)n2)cc1 ZINC000127673416 1415830413 /nfs/dbraw/zinc/83/04/13/1415830413.db2.gz OIGNGWMTBAZSHL-OAHLLOKOSA-N -1 3 394.818 3.495 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2cccc3ncccc32)ccc1F ZINC000128697332 1416045377 /nfs/dbraw/zinc/04/53/77/1416045377.db2.gz JWKCECIHZPWWQO-UHFFFAOYSA-N -1 3 399.447 3.115 20 30 GGEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cnn(-c2ccccc2)n1 ZINC000128783380 1416068049 /nfs/dbraw/zinc/06/80/49/1416068049.db2.gz YGGLAAJECSOEST-GOSISDBHSA-N -1 3 381.395 3.382 20 30 GGEDHM N#Cc1cccc(OCc2ccoc2C(=O)[N-]c2nc3ccc(F)cn3n2)c1 ZINC000129685943 1416248461 /nfs/dbraw/zinc/24/84/61/1416248461.db2.gz MLHVKWLUKQYDTH-UHFFFAOYSA-N -1 3 377.335 3.164 20 30 GGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc(N)c([N+](=O)[O-])c1 ZINC000129688102 1416248621 /nfs/dbraw/zinc/24/86/21/1416248621.db2.gz FFTBJEPEACWGBT-SNVBAGLBSA-N -1 3 393.186 3.445 20 30 GGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc(N)c([N+](=O)[O-])c1 ZINC000129688292 1416248647 /nfs/dbraw/zinc/24/86/47/1416248647.db2.gz FFTBJEPEACWGBT-JTQLQIEISA-N -1 3 393.186 3.445 20 30 GGEDHM N#CCCn1cc(C(=O)Nc2cccc([O-])c2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129722208 1416253805 /nfs/dbraw/zinc/25/38/05/1416253805.db2.gz FVGYPDIMQKMCTO-UHFFFAOYSA-N -1 3 395.350 3.469 20 30 GGEDHM COC(=O)c1cc(S(=O)(=O)[N-]C2(C#N)CCCCC2)c(Cl)cc1Cl ZINC000132223236 1416719919 /nfs/dbraw/zinc/71/99/19/1416719919.db2.gz AFONVWUBSDQCOF-UHFFFAOYSA-N -1 3 391.276 3.285 20 30 GGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3)nc2C)c1 ZINC000132347773 1416742216 /nfs/dbraw/zinc/74/22/16/1416742216.db2.gz ZLTJLAZKFHUYOO-GOSISDBHSA-N -1 3 386.411 3.422 20 30 GGEDHM COc1cc(/C=C/C(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc(Cl)c1[O-] ZINC000132704648 1416806161 /nfs/dbraw/zinc/80/61/61/1416806161.db2.gz BXMMWJGGNPEZTR-HWKANZROSA-N -1 3 384.812 3.493 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000135264858 1417199172 /nfs/dbraw/zinc/19/91/72/1417199172.db2.gz PSSBUKDAVYHZCU-CXAGYDPISA-N -1 3 381.451 3.340 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(C)n3C)n2)cc1 ZINC000136682357 1417338755 /nfs/dbraw/zinc/33/87/55/1417338755.db2.gz AWQCDDDPUKIYGH-OAHLLOKOSA-N -1 3 394.456 3.427 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000138715422 1417435295 /nfs/dbraw/zinc/43/52/95/1417435295.db2.gz DDASIIPONRONFN-OAHLLOKOSA-N -1 3 392.390 3.371 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(OC(C)(C)C)cc1 ZINC000146112128 1417710424 /nfs/dbraw/zinc/71/04/24/1417710424.db2.gz JXPFXUORDJEGEV-UHFFFAOYSA-N -1 3 381.476 3.290 20 30 GGEDHM N#CCCn1cc(C([O-])=C(C#N)c2ccccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000146863400 1417732834 /nfs/dbraw/zinc/73/28/34/1417732834.db2.gz KZEGJQHUPYBONS-MRXNPFEDSA-N -1 3 386.371 3.257 20 30 GGEDHM N#CC(=C([O-])c1cncc(-c2ccc3c(c2)CCO3)c1)c1nnc2n1CCCCC2 ZINC000151735096 1418074619 /nfs/dbraw/zinc/07/46/19/1418074619.db2.gz QEZOQJXRHNVRST-IBGZPJMESA-N -1 3 399.454 3.491 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000151764914 1418081666 /nfs/dbraw/zinc/08/16/66/1418081666.db2.gz NACQAWMOWAKUKH-UHFFFAOYSA-N -1 3 377.488 3.376 20 30 GGEDHM CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000152218271 1418176063 /nfs/dbraw/zinc/17/60/63/1418176063.db2.gz WKNFSAXDFGQXLU-SFHVURJKSA-N -1 3 392.503 3.053 20 30 GGEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000179504218 1429400093 /nfs/dbraw/zinc/40/00/93/1429400093.db2.gz LWVSWDTXVASCJN-YUNKPMOVSA-N -1 3 382.420 3.143 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc(F)c2F)ccc1F ZINC000152743654 1422233271 /nfs/dbraw/zinc/23/32/71/1422233271.db2.gz GIRCENVMUCRLPY-LLVKDONJSA-N -1 3 398.406 3.059 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3cccc(F)c32)ccc1F ZINC000153727037 1422724923 /nfs/dbraw/zinc/72/49/23/1422724923.db2.gz ZVMNBWWYMHCHSF-UHFFFAOYSA-N -1 3 392.427 3.022 20 30 GGEDHM Cc1c([O-])ccc2c(CN3CCN([C@H](C#N)c4ccccc4)CC3)cc(=O)oc12 ZINC000153857533 1422800079 /nfs/dbraw/zinc/80/00/79/1422800079.db2.gz YBHUCGLKMNDCSX-HXUWFJFHSA-N -1 3 389.455 3.190 20 30 GGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1 ZINC000153958598 1422816959 /nfs/dbraw/zinc/81/69/59/1422816959.db2.gz ZRCKTSURBKAGDQ-UHFFFAOYSA-N -1 3 387.530 3.216 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000156122128 1423682494 /nfs/dbraw/zinc/68/24/94/1423682494.db2.gz GYOPGKOIWFYQPF-UHFFFAOYSA-N -1 3 394.456 3.264 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(OC(F)F)cc1 ZINC000156355167 1423794834 /nfs/dbraw/zinc/79/48/34/1423794834.db2.gz QIGZPIFFBYCOTP-JTQLQIEISA-N -1 3 397.359 3.107 20 30 GGEDHM CCOc1cc(Cl)ccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000158755177 1424335025 /nfs/dbraw/zinc/33/50/25/1424335025.db2.gz IAJLBOSWMRMJFC-UHFFFAOYSA-N -1 3 387.867 3.165 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000159271549 1424466648 /nfs/dbraw/zinc/46/66/48/1424466648.db2.gz NCHPNYOMFBVYDV-UWJYYQICSA-N -1 3 393.487 3.080 20 30 GGEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3ccc([O-])c(F)c3)C2)c(F)c1 ZINC000159533768 1424511139 /nfs/dbraw/zinc/51/11/39/1424511139.db2.gz RTMFXBYPUVMDAI-HNNXBMFYSA-N -1 3 386.402 3.010 20 30 GGEDHM Cn1cc(C#N)c([N-]C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)n1 ZINC000160972524 1424648754 /nfs/dbraw/zinc/64/87/54/1424648754.db2.gz ANEBYSIGLUKCAE-UHFFFAOYSA-N -1 3 392.202 3.418 20 30 GGEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)c1 ZINC000162200786 1424825787 /nfs/dbraw/zinc/82/57/87/1424825787.db2.gz FKBNWRQCVIYCKP-KRWDZBQOSA-N -1 3 387.461 3.363 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(OCC(F)(F)F)c1 ZINC000170739559 1425324047 /nfs/dbraw/zinc/32/40/47/1425324047.db2.gz HLRNNIXKFNAERA-UHFFFAOYSA-N -1 3 394.349 3.343 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc2onc(CC)c2c1 ZINC000171266284 1425583274 /nfs/dbraw/zinc/58/32/74/1425583274.db2.gz ICGJTPYQUMTOKR-AWEZNQCLSA-N -1 3 378.388 3.145 20 30 GGEDHM Cc1cccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3)nn2)c1 ZINC000171328848 1425619945 /nfs/dbraw/zinc/61/99/45/1425619945.db2.gz WDOZONLWNLPINN-MRXNPFEDSA-N -1 3 379.807 3.190 20 30 GGEDHM Cc1cccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3)nn2)c1 ZINC000171328852 1425620159 /nfs/dbraw/zinc/62/01/59/1425620159.db2.gz WDOZONLWNLPINN-INIZCTEOSA-N -1 3 379.807 3.190 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCN(C)c2ccc(Cl)cc21 ZINC000173547196 1426720276 /nfs/dbraw/zinc/72/02/76/1426720276.db2.gz OCZPPHKWJYARNZ-UHFFFAOYSA-N -1 3 398.894 3.323 20 30 GGEDHM CCC(CC)CN(CCC#N)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000173553096 1426725981 /nfs/dbraw/zinc/72/59/81/1426725981.db2.gz PSYAWOQJARJUGE-UHFFFAOYSA-N -1 3 390.509 3.232 20 30 GGEDHM CCN(C(=O)CCNC(=O)c1ccc(C)cc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000173826109 1426861737 /nfs/dbraw/zinc/86/17/37/1426861737.db2.gz BPMAYXSPZWNALX-MRXNPFEDSA-N -1 3 379.460 3.302 20 30 GGEDHM Cc1nn(-c2ccc(Cl)cc2)cc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000174011123 1426942588 /nfs/dbraw/zinc/94/25/88/1426942588.db2.gz FILCTIPYKNDCJR-OAHLLOKOSA-N -1 3 379.807 3.190 20 30 GGEDHM Cc1ccccc1[C@@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@H](C)CO1 ZINC000174418821 1427149359 /nfs/dbraw/zinc/14/93/59/1427149359.db2.gz KWSJGGVRTHWQKZ-VFNWGFHPSA-N -1 3 393.487 3.093 20 30 GGEDHM C=CCN(CCc1ccco1)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000823909678 1427502366 /nfs/dbraw/zinc/50/23/66/1427502366.db2.gz MYLYREWPPGJJLZ-UHFFFAOYSA-N -1 3 389.463 3.185 20 30 GGEDHM C=CCN(CCc1ccco1)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000823909678 1427502370 /nfs/dbraw/zinc/50/23/70/1427502370.db2.gz MYLYREWPPGJJLZ-UHFFFAOYSA-N -1 3 389.463 3.185 20 30 GGEDHM COc1ccccc1C[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)C ZINC000175033048 1427510195 /nfs/dbraw/zinc/51/01/95/1427510195.db2.gz SKEPKZHVQLKQNF-FQEVSTJZSA-N -1 3 395.503 3.188 20 30 GGEDHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C#Cc1ccccc1 ZINC000175131970 1427562148 /nfs/dbraw/zinc/56/21/48/1427562148.db2.gz NJKUIWNDDRMGHS-UHFFFAOYSA-N -1 3 382.363 3.067 20 30 GGEDHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)c(Cl)cc1Cl ZINC000175225806 1427612828 /nfs/dbraw/zinc/61/28/28/1427612828.db2.gz RIODNIYDAIHMIP-UHFFFAOYSA-N -1 3 399.255 3.130 20 30 GGEDHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c(Cl)cc1Cl ZINC000175240891 1427621755 /nfs/dbraw/zinc/62/17/55/1427621755.db2.gz AFYRRCKFSWGPGY-UHFFFAOYSA-N -1 3 399.255 3.130 20 30 GGEDHM CCO[C@H]1C[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(CC)CC ZINC000175241751 1427622612 /nfs/dbraw/zinc/62/26/12/1427622612.db2.gz OMXUVKHEPCKZBJ-OALUTQOASA-N -1 3 387.524 3.238 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819745644 1427798588 /nfs/dbraw/zinc/79/85/88/1427798588.db2.gz NJYZRJWQZXFCFG-LSDHHAIUSA-N -1 3 396.520 3.182 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819745644 1427798593 /nfs/dbraw/zinc/79/85/93/1427798593.db2.gz NJYZRJWQZXFCFG-LSDHHAIUSA-N -1 3 396.520 3.182 20 30 GGEDHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000176057536 1428056918 /nfs/dbraw/zinc/05/69/18/1428056918.db2.gz VZCAOZODAYPIIE-UHFFFAOYSA-N -1 3 388.398 3.186 20 30 GGEDHM C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823937391 1428068709 /nfs/dbraw/zinc/06/87/09/1428068709.db2.gz VUOGDWVEVFVFCB-AWEZNQCLSA-N -1 3 394.504 3.434 20 30 GGEDHM C[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000820413767 1428139543 /nfs/dbraw/zinc/13/95/43/1428139543.db2.gz VSJPFGNHIWMYPL-NWDGAFQWSA-N -1 3 395.854 3.070 20 30 GGEDHM C[C@@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000820413767 1428139546 /nfs/dbraw/zinc/13/95/46/1428139546.db2.gz VSJPFGNHIWMYPL-NWDGAFQWSA-N -1 3 395.854 3.070 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1CC(=O)c1cccs1 ZINC000176213496 1428171777 /nfs/dbraw/zinc/17/17/77/1428171777.db2.gz KCNKYPFVNSJFDN-OAHLLOKOSA-N -1 3 397.500 3.122 20 30 GGEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000181258775 1430257688 /nfs/dbraw/zinc/25/76/88/1430257688.db2.gz BEOMLXGPDRBKRJ-MRXNPFEDSA-N -1 3 380.448 3.450 20 30 GGEDHM N#CC(=C([O-])c1cnc(OCC2CC2)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000181500469 1430311423 /nfs/dbraw/zinc/31/14/23/1430311423.db2.gz XNPYBTFDSMEVBP-CQSZACIVSA-N -1 3 385.855 3.332 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000182437182 1430467721 /nfs/dbraw/zinc/46/77/21/1430467721.db2.gz GZOXWLZXUQFAHO-QUCCMNQESA-N -1 3 399.878 3.096 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1N1CCCCC1 ZINC000183130911 1430623499 /nfs/dbraw/zinc/62/34/99/1430623499.db2.gz OBHQDACVECAJDW-UHFFFAOYSA-N -1 3 392.503 3.103 20 30 GGEDHM N#Cc1cccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000183144816 1430627916 /nfs/dbraw/zinc/62/79/16/1430627916.db2.gz DEJNGZXKDBVPIJ-JOCHJYFZSA-N -1 3 399.450 3.441 20 30 GGEDHM C=CCSCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183503732 1430729820 /nfs/dbraw/zinc/72/98/20/1430729820.db2.gz WAILRIQFJYQLDJ-LJQANCHMSA-N -1 3 384.501 3.289 20 30 GGEDHM C=C(C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)c(F)c1 ZINC000184847260 1431001769 /nfs/dbraw/zinc/00/17/69/1431001769.db2.gz GBCRBNDMXVTZDL-QGZVFWFLSA-N -1 3 396.415 3.089 20 30 GGEDHM C=C(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)c(F)c1 ZINC000184847243 1431001899 /nfs/dbraw/zinc/00/18/99/1431001899.db2.gz GBCRBNDMXVTZDL-KRWDZBQOSA-N -1 3 396.415 3.089 20 30 GGEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c(F)c1 ZINC000184891681 1431014380 /nfs/dbraw/zinc/01/43/80/1431014380.db2.gz NYSCYPIQTACWGL-CYBMUJFWSA-N -1 3 394.399 3.053 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184939362 1431026811 /nfs/dbraw/zinc/02/68/11/1431026811.db2.gz XUYYRCPNCWGXJU-AWEZNQCLSA-N -1 3 385.414 3.090 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000186241093 1431360201 /nfs/dbraw/zinc/36/02/01/1431360201.db2.gz BQWTVMJQSPRAJR-LJQANCHMSA-N -1 3 399.878 3.050 20 30 GGEDHM CC[C@H](CC#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000187999348 1431834963 /nfs/dbraw/zinc/83/49/63/1431834963.db2.gz DRZJOFVMHYRQSL-CQSZACIVSA-N -1 3 376.409 3.476 20 30 GGEDHM CC[C@@H](CC#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000187999322 1431835031 /nfs/dbraw/zinc/83/50/31/1431835031.db2.gz DRZJOFVMHYRQSL-AWEZNQCLSA-N -1 3 376.409 3.476 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC=Cc3ccccc32)ccc1F ZINC000188243782 1431865157 /nfs/dbraw/zinc/86/51/57/1431865157.db2.gz LPFDRMZTZLNLTF-UHFFFAOYSA-N -1 3 386.448 3.354 20 30 GGEDHM N#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1[O-] ZINC000188409435 1431881910 /nfs/dbraw/zinc/88/19/10/1431881910.db2.gz ROQVNZDOWVJAES-QGZVFWFLSA-N -1 3 389.377 3.287 20 30 GGEDHM N#Cc1ccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1[O-] ZINC000188952730 1432015859 /nfs/dbraw/zinc/01/58/59/1432015859.db2.gz MVWIWDMSSRVRIF-IBGZPJMESA-N -1 3 387.443 3.160 20 30 GGEDHM CC(C)(C)n1cc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)nn1 ZINC000189883229 1432262289 /nfs/dbraw/zinc/26/22/89/1432262289.db2.gz ATGLBNLPRZXBHB-UHFFFAOYSA-N -1 3 399.505 3.301 20 30 GGEDHM CCCN1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c2cc(F)ccc21 ZINC000189972980 1432294101 /nfs/dbraw/zinc/29/41/01/1432294101.db2.gz PVKWYPYEOHWUDO-UHFFFAOYSA-N -1 3 396.466 3.198 20 30 GGEDHM Cc1ccc(F)c(-c2cc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)n[nH]2)c1 ZINC000190104361 1432320560 /nfs/dbraw/zinc/32/05/60/1432320560.db2.gz MDHVCTGOLNZCNJ-UHFFFAOYSA-N -1 3 393.422 3.272 20 30 GGEDHM N#CC(=C([O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cnc2ccccc2n1 ZINC000190955701 1432537400 /nfs/dbraw/zinc/53/74/00/1432537400.db2.gz DNUYZSZUYPDMNJ-CQSZACIVSA-N -1 3 384.355 3.214 20 30 GGEDHM CC(C)Cn1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c2ccccc2c1=O ZINC000190999255 1432546838 /nfs/dbraw/zinc/54/68/38/1432546838.db2.gz QSVXHNWTKILBKL-KRWDZBQOSA-N -1 3 397.438 3.486 20 30 GGEDHM CC(C)Cn1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c2ccccc2c1=O ZINC000190999274 1432546890 /nfs/dbraw/zinc/54/68/90/1432546890.db2.gz QSVXHNWTKILBKL-QGZVFWFLSA-N -1 3 397.438 3.486 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000192173842 1432811860 /nfs/dbraw/zinc/81/18/60/1432811860.db2.gz WDBVZMMJHOKGEG-UHFFFAOYSA-N -1 3 383.423 3.363 20 30 GGEDHM Cc1nc2c(cnn2C(C)C)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000193261188 1432969772 /nfs/dbraw/zinc/96/97/72/1432969772.db2.gz NALVIZJVFXMGFK-INIZCTEOSA-N -1 3 377.452 3.129 20 30 GGEDHM Cc1nc(-c2ncccn2)sc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000193376622 1432987466 /nfs/dbraw/zinc/98/74/66/1432987466.db2.gz SZPWHGPYEDKWNC-AWEZNQCLSA-N -1 3 377.429 3.178 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)nc1C ZINC000193377888 1432987739 /nfs/dbraw/zinc/98/77/39/1432987739.db2.gz NNPRNQUIKURSJV-LBPRGKRZSA-N -1 3 377.322 3.379 20 30 GGEDHM Cc1ccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3)nn2)cc1 ZINC000193403212 1432991808 /nfs/dbraw/zinc/99/18/08/1432991808.db2.gz RYUIGEAQTJTEIJ-INIZCTEOSA-N -1 3 379.807 3.190 20 30 GGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000193443499 1433000018 /nfs/dbraw/zinc/00/00/18/1433000018.db2.gz DWDDYQSYWZJEJU-CYBMUJFWSA-N -1 3 399.332 3.247 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(Cc2ccccc2)c1C ZINC000193471038 1433004613 /nfs/dbraw/zinc/00/46/13/1433004613.db2.gz LDNVRRBAVCJDIS-QGZVFWFLSA-N -1 3 388.427 3.210 20 30 GGEDHM C=CCN(CC=C)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000193929602 1433086918 /nfs/dbraw/zinc/08/69/18/1433086918.db2.gz UUXVUHDIZHSJSO-UHFFFAOYSA-N -1 3 389.304 3.248 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)Cc2nc(-c3cccs3)n[n-]2)cc1C(F)(F)F ZINC000195059161 1433286606 /nfs/dbraw/zinc/28/66/06/1433286606.db2.gz KCTLYKBECPXNLH-UHFFFAOYSA-N -1 3 398.391 3.398 20 30 GGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCC(C)(C)CCC#N)ccc1F ZINC000195085878 1433290764 /nfs/dbraw/zinc/29/07/64/1433290764.db2.gz VHIFUSWSJVYHEV-UHFFFAOYSA-N -1 3 384.473 3.389 20 30 GGEDHM C[C@H]1CCCCN1S(=O)(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000248754621 1433820141 /nfs/dbraw/zinc/82/01/41/1433820141.db2.gz IROVDCJGEOQYPZ-MAUKXSAKSA-N -1 3 383.473 3.135 20 30 GGEDHM CN1CC[C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249029866 1433832536 /nfs/dbraw/zinc/83/25/36/1433832536.db2.gz BDEIRWADBMUBLX-HNAYVOBHSA-N -1 3 387.842 3.479 20 30 GGEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1c(C)nc2sc(C)cn12 ZINC000254740771 1433871901 /nfs/dbraw/zinc/87/19/01/1433871901.db2.gz YYYDVMUSOQPOIS-UHFFFAOYSA-N -1 3 399.501 3.367 20 30 GGEDHM CNS(=O)(=O)c1cc(N=Cc2cc(Br)ccc2[O-])ccc1C ZINC000255031255 1433874609 /nfs/dbraw/zinc/87/46/09/1433874609.db2.gz ZFTFOEMTKHUIPP-UHFFFAOYSA-N -1 3 383.267 3.122 20 30 GGEDHM COc1cccc(C=Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1O ZINC000255471969 1433883175 /nfs/dbraw/zinc/88/31/75/1433883175.db2.gz QCTFSGCWEQJEHF-UHFFFAOYSA-N -1 3 380.441 3.367 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(C=Cc2ccco2)s1 ZINC000255576568 1433885795 /nfs/dbraw/zinc/88/57/95/1433885795.db2.gz WUHYYCDXALNHBG-YVMONPNESA-N -1 3 395.444 3.462 20 30 GGEDHM CC(=O)Nc1cc(Cl)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000264400318 1434107776 /nfs/dbraw/zinc/10/77/76/1434107776.db2.gz VFHLTSXQKPTAKF-UHFFFAOYSA-N -1 3 386.839 3.459 20 30 GGEDHM C=C1CCN(C(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[O-])CC1 ZINC000264509999 1434122126 /nfs/dbraw/zinc/12/21/26/1434122126.db2.gz RYGWIEVWPYETPY-UHFFFAOYSA-N -1 3 396.443 3.454 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000264788369 1434155062 /nfs/dbraw/zinc/15/50/62/1434155062.db2.gz OESGQODFBIWTKS-UHFFFAOYSA-N -1 3 396.422 3.113 20 30 GGEDHM CO[C@@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(Cl)cc1 ZINC000266141915 1434306436 /nfs/dbraw/zinc/30/64/36/1434306436.db2.gz UKQKFIONLCFEAQ-SFHVURJKSA-N -1 3 387.867 3.366 20 30 GGEDHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)o1 ZINC000267577063 1434447262 /nfs/dbraw/zinc/44/72/62/1434447262.db2.gz KMLSHNKNBQHMFW-LLVKDONJSA-N -1 3 393.490 3.000 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1c(F)cccc1OC(F)F ZINC000267615913 1434450122 /nfs/dbraw/zinc/45/01/22/1434450122.db2.gz MEBCIDKXYBSTNE-UHFFFAOYSA-N -1 3 393.365 3.265 20 30 GGEDHM Cc1oc(C(=O)[N-]c2ccccc2SCCC#N)cc1S(=O)(=O)N(C)C ZINC000267873801 1434472691 /nfs/dbraw/zinc/47/26/91/1434472691.db2.gz RGCLWATUFWTMDN-UHFFFAOYSA-N -1 3 393.490 3.096 20 30 GGEDHM C=C(C)[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)OCC ZINC000270061675 1434698191 /nfs/dbraw/zinc/69/81/91/1434698191.db2.gz PESVDGXICBWPRY-CQSZACIVSA-N -1 3 394.415 3.387 20 30 GGEDHM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000271643919 1434841267 /nfs/dbraw/zinc/84/12/67/1434841267.db2.gz GXSWFSZGROKMRC-VFNWGFHPSA-N -1 3 397.475 3.109 20 30 GGEDHM COc1ccc([C@H](OC)[C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000271643915 1434841363 /nfs/dbraw/zinc/84/13/63/1434841363.db2.gz GXSWFSZGROKMRC-QVKFZJNVSA-N -1 3 397.475 3.109 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](COc2ccccc2)C1 ZINC000272596543 1434912660 /nfs/dbraw/zinc/91/26/60/1434912660.db2.gz RRRUUNKZLDBGEN-QGZVFWFLSA-N -1 3 379.460 3.136 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273317962 1434980421 /nfs/dbraw/zinc/98/04/21/1434980421.db2.gz RKISOWBKSQQEMK-PXNSSMCTSA-N -1 3 397.450 3.384 20 30 GGEDHM Cc1nc2ccccc2n1CCCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000273365981 1434983575 /nfs/dbraw/zinc/98/35/75/1434983575.db2.gz KEHCXOGGRSHLGA-UHFFFAOYSA-N -1 3 391.475 3.073 20 30 GGEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C#N)C(C)(C)C)cs2)c1 ZINC000274035677 1435038619 /nfs/dbraw/zinc/03/86/19/1435038619.db2.gz QVHMDPRXWBBLAK-OAHLLOKOSA-N -1 3 386.477 3.006 20 30 GGEDHM COc1ccc2c(c1)[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCO2 ZINC000274163820 1435048021 /nfs/dbraw/zinc/04/80/21/1435048021.db2.gz NBDJYJOOVRXCFA-LJQANCHMSA-N -1 3 382.416 3.284 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc2cccc(Cl)c2n1C ZINC000274670886 1435084465 /nfs/dbraw/zinc/08/44/65/1435084465.db2.gz XXLUGHWVQXNKQR-UHFFFAOYSA-N -1 3 397.866 3.065 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2c(c1)OC(=O)C[C@H]2C ZINC000278451936 1435392030 /nfs/dbraw/zinc/39/20/30/1435392030.db2.gz WJZJCYVGTYJDKL-LLVKDONJSA-N -1 3 380.400 3.227 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]([C@H]1CCCOC1)C(F)(F)F ZINC000279272938 1435480281 /nfs/dbraw/zinc/48/02/81/1435480281.db2.gz UGWDYEUTEVXIOJ-LRDDRELGSA-N -1 3 386.370 3.109 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000280380129 1435648772 /nfs/dbraw/zinc/64/87/72/1435648772.db2.gz DOCVNXYCMGXIPI-UHFFFAOYSA-N -1 3 393.487 3.416 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1c(F)cc(F)c(F)c1F ZINC000281170210 1435788611 /nfs/dbraw/zinc/78/86/11/1435788611.db2.gz QEYJEAGDHOXZAB-UHFFFAOYSA-N -1 3 381.329 3.081 20 30 GGEDHM COC(=O)CN(CCCC1(C#N)CCOCC1)Cc1cc(Cl)ccc1[O-] ZINC000282039368 1435832083 /nfs/dbraw/zinc/83/20/83/1435832083.db2.gz QSRFJBGFXVRVPH-UHFFFAOYSA-N -1 3 380.872 3.121 20 30 GGEDHM C=CCc1cc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc(OC)c1O ZINC000282900782 1435865260 /nfs/dbraw/zinc/86/52/60/1435865260.db2.gz YULJPIBHHDVRJO-UHFFFAOYSA-N -1 3 392.477 3.122 20 30 GGEDHM Cc1ncc(CO)c(/C=N/c2ccc3c(c2)N(CC(F)F)C(=O)CS3)c1[O-] ZINC000283973840 1435965144 /nfs/dbraw/zinc/96/51/44/1435965144.db2.gz NSLVVRQUWJZTPH-GEVRCRHISA-N -1 3 393.415 3.042 20 30 GGEDHM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@H](C)N(Cc3ccccc3)C2)o1 ZINC000820107925 1441892545 /nfs/dbraw/zinc/89/25/45/1441892545.db2.gz DJASQKIGHKKTAX-AWEZNQCLSA-N -1 3 394.483 3.116 20 30 GGEDHM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2C[C@H](C)N(Cc3ccccc3)C2)o1 ZINC000820107925 1441892549 /nfs/dbraw/zinc/89/25/49/1441892549.db2.gz DJASQKIGHKKTAX-AWEZNQCLSA-N -1 3 394.483 3.116 20 30 GGEDHM C=CCc1cc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OC ZINC000819759315 1443415685 /nfs/dbraw/zinc/41/56/85/1443415685.db2.gz TZXPDKBMFAOHPC-CQSZACIVSA-N -1 3 379.464 3.463 20 30 GGEDHM C=CCc1cc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OC ZINC000819759315 1443415688 /nfs/dbraw/zinc/41/56/88/1443415688.db2.gz TZXPDKBMFAOHPC-CQSZACIVSA-N -1 3 379.464 3.463 20 30 GGEDHM C=CCc1cc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OC ZINC000819759314 1446217929 /nfs/dbraw/zinc/21/79/29/1446217929.db2.gz TZXPDKBMFAOHPC-AWEZNQCLSA-N -1 3 379.464 3.463 20 30 GGEDHM C=CCc1cc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OC ZINC000819759314 1446217935 /nfs/dbraw/zinc/21/79/35/1446217935.db2.gz TZXPDKBMFAOHPC-AWEZNQCLSA-N -1 3 379.464 3.463 20 30 GGEDHM C[C@@H](c1ccc(C#N)cc1)N1CCN([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736197881 1446309153 /nfs/dbraw/zinc/30/91/53/1446309153.db2.gz CPDHVZYNCQZTRA-IRXDYDNUSA-N -1 3 387.491 3.178 20 30 GGEDHM C=CCOc1cccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000823931793 1446442138 /nfs/dbraw/zinc/44/21/38/1446442138.db2.gz FGBSMJRWZOALTL-UHFFFAOYSA-N -1 3 391.475 3.475 20 30 GGEDHM C=CCOc1cccc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000823931793 1446442141 /nfs/dbraw/zinc/44/21/41/1446442141.db2.gz FGBSMJRWZOALTL-UHFFFAOYSA-N -1 3 391.475 3.475 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819745641 1449984881 /nfs/dbraw/zinc/98/48/81/1449984881.db2.gz NJYZRJWQZXFCFG-CABCVRRESA-N -1 3 396.520 3.182 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819745641 1449984884 /nfs/dbraw/zinc/98/48/84/1449984884.db2.gz NJYZRJWQZXFCFG-CABCVRRESA-N -1 3 396.520 3.182 20 30 GGEDHM N#Cc1cc(NC(=O)CCOc2ccc3ccccc3c2)ccc1-c1nnn[n-]1 ZINC000737705214 945115191 /nfs/dbraw/zinc/11/51/91/945115191.db2.gz OSFZWYXUQLNYPR-UHFFFAOYSA-N -1 3 384.399 3.299 20 30 GGEDHM N#Cc1cc(NC(=O)CCOc2ccc3ccccc3c2)ccc1-c1nn[n-]n1 ZINC000737705214 945115196 /nfs/dbraw/zinc/11/51/96/945115196.db2.gz OSFZWYXUQLNYPR-UHFFFAOYSA-N -1 3 384.399 3.299 20 30 GGEDHM C=CC[C@@]1(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCN1C(=O)OC(C)(C)C ZINC000790245294 945270646 /nfs/dbraw/zinc/27/06/46/945270646.db2.gz KSDQYDOYHKOYOD-FQEVSTJZSA-N -1 3 398.467 3.151 20 30 GGEDHM C=CC[C@@]1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCCN1C(=O)OC(C)(C)C ZINC000790245294 945270649 /nfs/dbraw/zinc/27/06/49/945270649.db2.gz KSDQYDOYHKOYOD-FQEVSTJZSA-N -1 3 398.467 3.151 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@@H](OCC)C(C)C ZINC000819743638 945279658 /nfs/dbraw/zinc/27/96/58/945279658.db2.gz MZFQCDFWJFZXRG-GOSISDBHSA-N -1 3 386.500 3.016 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@@H](OCC)C(C)C ZINC000819743638 945279666 /nfs/dbraw/zinc/27/96/66/945279666.db2.gz MZFQCDFWJFZXRG-GOSISDBHSA-N -1 3 386.500 3.016 20 30 GGEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819898351 945310945 /nfs/dbraw/zinc/31/09/45/945310945.db2.gz FIGWNKSGTUVOEG-QGZVFWFLSA-N -1 3 376.420 3.327 20 30 GGEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819898351 945310954 /nfs/dbraw/zinc/31/09/54/945310954.db2.gz FIGWNKSGTUVOEG-QGZVFWFLSA-N -1 3 376.420 3.327 20 30 GGEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819899026 945310970 /nfs/dbraw/zinc/31/09/70/945310970.db2.gz MLJOWBGWRWMYJW-GOSISDBHSA-N -1 3 390.447 3.114 20 30 GGEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819899026 945310972 /nfs/dbraw/zinc/31/09/72/945310972.db2.gz MLJOWBGWRWMYJW-GOSISDBHSA-N -1 3 390.447 3.114 20 30 GGEDHM CCc1nc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cc2nc1CC ZINC000736704890 944873524 /nfs/dbraw/zinc/87/35/24/944873524.db2.gz CTGCGSZZHXTBMP-UHFFFAOYSA-N -1 3 398.430 3.059 20 30 GGEDHM CCc1nc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc2nc1CC ZINC000736704890 944873530 /nfs/dbraw/zinc/87/35/30/944873530.db2.gz CTGCGSZZHXTBMP-UHFFFAOYSA-N -1 3 398.430 3.059 20 30 GGEDHM CCN(CCC#N)Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000821207634 945653398 /nfs/dbraw/zinc/65/33/98/945653398.db2.gz RIDBJEKCZLDPJQ-UHFFFAOYSA-N -1 3 392.463 3.190 20 30 GGEDHM CCN(CCC#N)Cc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000821207634 945653416 /nfs/dbraw/zinc/65/34/16/945653416.db2.gz RIDBJEKCZLDPJQ-UHFFFAOYSA-N -1 3 392.463 3.190 20 30 GGEDHM Cc1c(C(=O)C=Cc2cc(C#N)cs2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822015471 945919987 /nfs/dbraw/zinc/91/99/87/945919987.db2.gz KCBZNYAXVMSKBB-VOTSOKGWSA-N -1 3 387.428 3.190 20 30 GGEDHM C=CCCOCCCCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823899247 946510528 /nfs/dbraw/zinc/51/05/28/946510528.db2.gz ROISILSOEPUZQD-UHFFFAOYSA-N -1 3 381.480 3.245 20 30 GGEDHM C=CCCOCCCCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823899247 946510532 /nfs/dbraw/zinc/51/05/32/946510532.db2.gz ROISILSOEPUZQD-UHFFFAOYSA-N -1 3 381.480 3.245 20 30 GGEDHM C=CCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)C(C)C ZINC000823904010 946512316 /nfs/dbraw/zinc/51/23/16/946512316.db2.gz QYXOZNJECRIHTA-UHFFFAOYSA-N -1 3 386.847 3.134 20 30 GGEDHM C=CCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)C(C)C ZINC000823904010 946512326 /nfs/dbraw/zinc/51/23/26/946512326.db2.gz QYXOZNJECRIHTA-UHFFFAOYSA-N -1 3 386.847 3.134 20 30 GGEDHM C=CCN(Cc1ncc(Br)s1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914916 946519138 /nfs/dbraw/zinc/51/91/38/946519138.db2.gz OTSQZJZXYYLRMR-UHFFFAOYSA-N -1 3 391.298 3.274 20 30 GGEDHM C=CCN(Cc1ncc(Br)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914916 946519142 /nfs/dbraw/zinc/51/91/42/946519142.db2.gz OTSQZJZXYYLRMR-UHFFFAOYSA-N -1 3 391.298 3.274 20 30 GGEDHM CC(C)(C#N)CCOC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000824058944 946572808 /nfs/dbraw/zinc/57/28/08/946572808.db2.gz KGZSAUSYCLZZBV-UHFFFAOYSA-N -1 3 381.392 3.135 20 30 GGEDHM CC(C)(C#N)CCOC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000824058944 946572819 /nfs/dbraw/zinc/57/28/19/946572819.db2.gz KGZSAUSYCLZZBV-UHFFFAOYSA-N -1 3 381.392 3.135 20 30 GGEDHM C#C[C@@H](CC)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC001573279187 946633638 /nfs/dbraw/zinc/63/36/38/946633638.db2.gz CZYDSRPZRWICOT-AWEZNQCLSA-N -1 3 381.823 3.454 20 30 GGEDHM C#C[C@@H](CC)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC001573279187 946633643 /nfs/dbraw/zinc/63/36/43/946633643.db2.gz CZYDSRPZRWICOT-AWEZNQCLSA-N -1 3 381.823 3.454 20 30 GGEDHM CC(C)COc1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1Cl ZINC000824271128 946640727 /nfs/dbraw/zinc/64/07/27/946640727.db2.gz LDPKDRNZZSGLIY-UHFFFAOYSA-N -1 3 397.826 3.074 20 30 GGEDHM CC(C)COc1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1Cl ZINC000824271128 946640738 /nfs/dbraw/zinc/64/07/38/946640738.db2.gz LDPKDRNZZSGLIY-UHFFFAOYSA-N -1 3 397.826 3.074 20 30 GGEDHM C#C[C@@H](NCc1cc(-c2nnn[n-]2)ccc1Br)c1ccc(F)cc1 ZINC001573279486 946640998 /nfs/dbraw/zinc/64/09/98/946640998.db2.gz IBGAFSBWOOZWPU-MRXNPFEDSA-N -1 3 386.228 3.232 20 30 GGEDHM C#C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1Br)c1ccc(F)cc1 ZINC001573279486 946641008 /nfs/dbraw/zinc/64/10/08/946641008.db2.gz IBGAFSBWOOZWPU-MRXNPFEDSA-N -1 3 386.228 3.232 20 30 GGEDHM C#C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001573279912 946650629 /nfs/dbraw/zinc/65/06/29/946650629.db2.gz LSGLFYKQTBFJPW-SCLBCKFNSA-N -1 3 378.411 3.083 20 30 GGEDHM C#C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001573279912 946650635 /nfs/dbraw/zinc/65/06/35/946650635.db2.gz LSGLFYKQTBFJPW-SCLBCKFNSA-N -1 3 378.411 3.083 20 30 GGEDHM C#C[C@@H](NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(C)(C)C ZINC001573281441 946676591 /nfs/dbraw/zinc/67/65/91/946676591.db2.gz YVFGDZJZRXNAGF-LJQANCHMSA-N -1 3 389.459 3.223 20 30 GGEDHM C#C[C@@H](NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(C)(C)C ZINC001573281441 946676596 /nfs/dbraw/zinc/67/65/96/946676596.db2.gz YVFGDZJZRXNAGF-LJQANCHMSA-N -1 3 389.459 3.223 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)C[C@H](C)CC ZINC001573282220 946686615 /nfs/dbraw/zinc/68/66/15/946686615.db2.gz GWMWMMSUVRHYSO-OAHLLOKOSA-N -1 3 378.484 3.021 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)C[C@H](C)CC ZINC001573282220 946686618 /nfs/dbraw/zinc/68/66/18/946686618.db2.gz GWMWMMSUVRHYSO-OAHLLOKOSA-N -1 3 378.484 3.021 20 30 GGEDHM C#CCN(CC)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC1=CCCCC1 ZINC001573282948 946701995 /nfs/dbraw/zinc/70/19/95/946701995.db2.gz NWCFXQPDUOKRDV-UHFFFAOYSA-N -1 3 388.479 3.085 20 30 GGEDHM C#CCN(CC)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC1=CCCCC1 ZINC001573282948 946702000 /nfs/dbraw/zinc/70/20/00/946702000.db2.gz NWCFXQPDUOKRDV-UHFFFAOYSA-N -1 3 388.479 3.085 20 30 GGEDHM C#CCN(C(=O)c1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCCc2ccccc21 ZINC001573283281 946712428 /nfs/dbraw/zinc/71/24/28/946712428.db2.gz QVVULZLJTMUGOV-IBGZPJMESA-N -1 3 375.407 3.159 20 30 GGEDHM C#CCN(C(=O)c1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCCc2ccccc21 ZINC001573283281 946712438 /nfs/dbraw/zinc/71/24/38/946712438.db2.gz QVVULZLJTMUGOV-IBGZPJMESA-N -1 3 375.407 3.159 20 30 GGEDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824513927 946754386 /nfs/dbraw/zinc/75/43/86/946754386.db2.gz KHAIXYAJCQIEMT-ZDUSSCGKSA-N -1 3 383.415 3.224 20 30 GGEDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824513927 946754398 /nfs/dbraw/zinc/75/43/98/946754398.db2.gz KHAIXYAJCQIEMT-ZDUSSCGKSA-N -1 3 383.415 3.224 20 30 GGEDHM C#CCSc1ccc(COC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001573287802 946845498 /nfs/dbraw/zinc/84/54/98/946845498.db2.gz FPXHEXQJTNDUJO-UHFFFAOYSA-N -1 3 390.468 3.367 20 30 GGEDHM C#CCSc1ccc(COC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001573287802 946845508 /nfs/dbraw/zinc/84/55/08/946845508.db2.gz FPXHEXQJTNDUJO-UHFFFAOYSA-N -1 3 390.468 3.367 20 30 GGEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(-c3nnn[n-]3)n2C)c1 ZINC001573291094 946914331 /nfs/dbraw/zinc/91/43/31/946914331.db2.gz VZVKASHTDCIBQE-UHFFFAOYSA-N -1 3 388.456 3.095 20 30 GGEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(-c3nn[n-]n3)n2C)c1 ZINC001573291094 946914337 /nfs/dbraw/zinc/91/43/37/946914337.db2.gz VZVKASHTDCIBQE-UHFFFAOYSA-N -1 3 388.456 3.095 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001573293651 946962622 /nfs/dbraw/zinc/96/26/22/946962622.db2.gz FKGRJSMVVFOCNM-MAUKXSAKSA-N -1 3 390.495 3.470 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001573293651 946962631 /nfs/dbraw/zinc/96/26/31/946962631.db2.gz FKGRJSMVVFOCNM-MAUKXSAKSA-N -1 3 390.495 3.470 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)[C@H](C)CCSC ZINC001573294068 946977737 /nfs/dbraw/zinc/97/77/37/946977737.db2.gz SQUAPIBRGMNKOE-CQSZACIVSA-N -1 3 398.540 3.279 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)[C@H](C)CCSC ZINC001573294068 946977748 /nfs/dbraw/zinc/97/77/48/946977748.db2.gz SQUAPIBRGMNKOE-CQSZACIVSA-N -1 3 398.540 3.279 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001573299669 947100304 /nfs/dbraw/zinc/10/03/04/947100304.db2.gz KUFGLHDQZOZHST-YMTOWFKASA-N -1 3 382.237 3.161 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001573299669 947100312 /nfs/dbraw/zinc/10/03/12/947100312.db2.gz KUFGLHDQZOZHST-YMTOWFKASA-N -1 3 382.237 3.161 20 30 GGEDHM C=C(C)C[C@@H](Nc1cc(Br)c(-c2nnn[n-]2)cc1F)C(=O)OCC ZINC001573300701 947119296 /nfs/dbraw/zinc/11/92/96/947119296.db2.gz SMFWOKGMWITUOG-CYBMUJFWSA-N -1 3 398.236 3.078 20 30 GGEDHM C=C(C)C[C@@H](Nc1cc(Br)c(-c2nn[n-]n2)cc1F)C(=O)OCC ZINC001573300701 947119300 /nfs/dbraw/zinc/11/93/00/947119300.db2.gz SMFWOKGMWITUOG-CYBMUJFWSA-N -1 3 398.236 3.078 20 30 GGEDHM C=C(C)C[C@H](CO)NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001573300695 947119559 /nfs/dbraw/zinc/11/95/59/947119559.db2.gz SELAQOPOORSJAH-OAHLLOKOSA-N -1 3 394.435 3.108 20 30 GGEDHM C=C(C)C[C@H](CO)NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001573300695 947119567 /nfs/dbraw/zinc/11/95/67/947119567.db2.gz SELAQOPOORSJAH-OAHLLOKOSA-N -1 3 394.435 3.108 20 30 GGEDHM C=CC(C)(C)CCCNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001573306739 947174504 /nfs/dbraw/zinc/17/45/04/947174504.db2.gz MMAXVMOJYBTZIU-UHFFFAOYSA-N -1 3 388.541 3.392 20 30 GGEDHM C=CC(C)(C)CCCNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001573306739 947174510 /nfs/dbraw/zinc/17/45/10/947174510.db2.gz MMAXVMOJYBTZIU-UHFFFAOYSA-N -1 3 388.541 3.392 20 30 GGEDHM C=CC[C@H](Cc1ccccc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001573326781 947378940 /nfs/dbraw/zinc/37/89/40/947378940.db2.gz VDKMKVLFDYASRW-QGZVFWFLSA-N -1 3 379.489 3.262 20 30 GGEDHM C=CC[C@H](Cc1ccccc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001573326781 947378951 /nfs/dbraw/zinc/37/89/51/947378951.db2.gz VDKMKVLFDYASRW-QGZVFWFLSA-N -1 3 379.489 3.262 20 30 GGEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001573329558 947422708 /nfs/dbraw/zinc/42/27/08/947422708.db2.gz KYLGZNSYZFTHLI-BXUZGUMPSA-N -1 3 390.285 3.494 20 30 GGEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001573329558 947422715 /nfs/dbraw/zinc/42/27/15/947422715.db2.gz KYLGZNSYZFTHLI-BXUZGUMPSA-N -1 3 390.285 3.494 20 30 GGEDHM C=CCCC[C@H](NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001573334953 947466242 /nfs/dbraw/zinc/46/62/42/947466242.db2.gz JVMVENNAHMJPSD-IBGZPJMESA-N -1 3 397.504 3.384 20 30 GGEDHM C=CCCC[C@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001573334953 947466254 /nfs/dbraw/zinc/46/62/54/947466254.db2.gz JVMVENNAHMJPSD-IBGZPJMESA-N -1 3 397.504 3.384 20 30 GGEDHM C=CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCS[C@H](C)C1 ZINC001573335192 947474988 /nfs/dbraw/zinc/47/49/88/947474988.db2.gz NYFCLNACRIFPNB-CQSZACIVSA-N -1 3 396.524 3.033 20 30 GGEDHM C=CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCS[C@H](C)C1 ZINC001573335192 947474996 /nfs/dbraw/zinc/47/49/96/947474996.db2.gz NYFCLNACRIFPNB-CQSZACIVSA-N -1 3 396.524 3.033 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)OCc1cccc(C)c1 ZINC001573341107 947526745 /nfs/dbraw/zinc/52/67/45/947526745.db2.gz HDBDOAVLTSKVJE-QGZVFWFLSA-N -1 3 391.475 3.295 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)OCc1cccc(C)c1 ZINC001573341107 947526754 /nfs/dbraw/zinc/52/67/54/947526754.db2.gz HDBDOAVLTSKVJE-QGZVFWFLSA-N -1 3 391.475 3.295 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001573341812 947535255 /nfs/dbraw/zinc/53/52/55/947535255.db2.gz QPEHFFYNCPVSOR-LJQANCHMSA-N -1 3 377.423 3.250 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001573341812 947535261 /nfs/dbraw/zinc/53/52/61/947535261.db2.gz QPEHFFYNCPVSOR-LJQANCHMSA-N -1 3 377.423 3.250 20 30 GGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001573342230 947538609 /nfs/dbraw/zinc/53/86/09/947538609.db2.gz VSXYNASNGRGYJE-UHFFFAOYSA-N -1 3 377.448 3.321 20 30 GGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001573342230 947538621 /nfs/dbraw/zinc/53/86/21/947538621.db2.gz VSXYNASNGRGYJE-UHFFFAOYSA-N -1 3 377.448 3.321 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C=C\COc1ccccc1 ZINC001573342225 947539250 /nfs/dbraw/zinc/53/92/50/947539250.db2.gz VRVIROWOYAOMDA-GHXNOFRVSA-N -1 3 375.432 3.017 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C=C\COc1ccccc1 ZINC001573342225 947539264 /nfs/dbraw/zinc/53/92/64/947539264.db2.gz VRVIROWOYAOMDA-GHXNOFRVSA-N -1 3 375.432 3.017 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C=C/COc1ccccc1 ZINC001573342228 947539612 /nfs/dbraw/zinc/53/96/12/947539612.db2.gz VRVIROWOYAOMDA-KPKJPENVSA-N -1 3 375.432 3.017 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C=C/COc1ccccc1 ZINC001573342228 947539623 /nfs/dbraw/zinc/53/96/23/947539623.db2.gz VRVIROWOYAOMDA-KPKJPENVSA-N -1 3 375.432 3.017 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C(C)c1ccc(OC)cc1 ZINC001573342414 947542416 /nfs/dbraw/zinc/54/24/16/947542416.db2.gz XPNXGBHOVZCWLH-SSZFMOIBSA-N -1 3 389.459 3.493 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C(C)c1ccc(OC)cc1 ZINC001573342414 947542425 /nfs/dbraw/zinc/54/24/25/947542425.db2.gz XPNXGBHOVZCWLH-SSZFMOIBSA-N -1 3 389.459 3.493 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc1OC ZINC001573348966 947588858 /nfs/dbraw/zinc/58/88/58/947588858.db2.gz XKOQQOIPUFLVSE-ALCCZGGFSA-N -1 3 395.394 3.231 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc1OC ZINC001573348966 947588866 /nfs/dbraw/zinc/58/88/66/947588866.db2.gz XKOQQOIPUFLVSE-ALCCZGGFSA-N -1 3 395.394 3.231 20 30 GGEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001573348959 947589753 /nfs/dbraw/zinc/58/97/53/947589753.db2.gz XJDOYMFNSKZYFJ-RHSMWYFYSA-N -1 3 376.468 3.080 20 30 GGEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001573348959 947589774 /nfs/dbraw/zinc/58/97/74/947589774.db2.gz XJDOYMFNSKZYFJ-RHSMWYFYSA-N -1 3 376.468 3.080 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC001573350830 947603454 /nfs/dbraw/zinc/60/34/54/947603454.db2.gz IHFJXHSHDDAGMJ-CVEARBPZSA-N -1 3 393.472 3.091 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC001573350830 947603458 /nfs/dbraw/zinc/60/34/58/947603458.db2.gz IHFJXHSHDDAGMJ-CVEARBPZSA-N -1 3 393.472 3.091 20 30 GGEDHM COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826221514 947656868 /nfs/dbraw/zinc/65/68/68/947656868.db2.gz JGRPHPVDDIGKCF-VQHVLOKHSA-N -1 3 375.363 3.459 20 30 GGEDHM COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826221514 947656876 /nfs/dbraw/zinc/65/68/76/947656876.db2.gz JGRPHPVDDIGKCF-VQHVLOKHSA-N -1 3 375.363 3.459 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccccc2C#N)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826234389 947686639 /nfs/dbraw/zinc/68/66/39/947686639.db2.gz UAFDVHCFHYSSCG-FLIBITNWSA-N -1 3 381.399 3.129 20 30 GGEDHM C=CCc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc(OC)c1OC ZINC001275482764 948495430 /nfs/dbraw/zinc/49/54/30/948495430.db2.gz BTAUVPKKFXVXAY-UHFFFAOYSA-N -1 3 383.383 3.004 20 30 GGEDHM C=CCc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc(OC)c1OC ZINC001275482764 948495436 /nfs/dbraw/zinc/49/54/36/948495436.db2.gz BTAUVPKKFXVXAY-UHFFFAOYSA-N -1 3 383.383 3.004 20 30 GGEDHM CC1(c2cc(NC(=O)[C@H](C#N)Cc3ccc(-c4nn[n-]n4)cc3)no2)CCCC1 ZINC001575857435 949264390 /nfs/dbraw/zinc/26/43/90/949264390.db2.gz QTIHPRGEJVQYSV-HNNXBMFYSA-N -1 3 391.435 3.007 20 30 GGEDHM CC(C)(C)OC(=O)N1CCC[C@H](CNc2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001573854038 950338904 /nfs/dbraw/zinc/33/89/04/950338904.db2.gz XOULJLHVLWGBOP-AWEZNQCLSA-N -1 3 397.483 3.187 20 30 GGEDHM CC(C)(C)OC(=O)N1CCC[C@H](CNc2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001573854038 950338925 /nfs/dbraw/zinc/33/89/25/950338925.db2.gz XOULJLHVLWGBOP-AWEZNQCLSA-N -1 3 397.483 3.187 20 30 GGEDHM CCN(CC)[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589722966 950434777 /nfs/dbraw/zinc/43/47/77/950434777.db2.gz KTNDTRDWCVIAAA-QAPCUYQASA-N -1 3 399.413 3.209 20 30 GGEDHM CCN(CC)[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589722964 950435060 /nfs/dbraw/zinc/43/50/60/950435060.db2.gz KTNDTRDWCVIAAA-CRAIPNDOSA-N -1 3 399.413 3.209 20 30 GGEDHM CC(C)(C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc(Cl)n1 ZINC001573879725 950727533 /nfs/dbraw/zinc/72/75/33/950727533.db2.gz JDLQVSLCUNJMDB-UHFFFAOYSA-N -1 3 381.827 3.337 20 30 GGEDHM CC(C)(C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc(Cl)n1 ZINC001573879725 950727541 /nfs/dbraw/zinc/72/75/41/950727541.db2.gz JDLQVSLCUNJMDB-UHFFFAOYSA-N -1 3 381.827 3.337 20 30 GGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001573881848 950761125 /nfs/dbraw/zinc/76/11/25/950761125.db2.gz JBHJGYUYNREPNP-KRWDZBQOSA-N -1 3 378.411 3.298 20 30 GGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001573881848 950761133 /nfs/dbraw/zinc/76/11/33/950761133.db2.gz JBHJGYUYNREPNP-KRWDZBQOSA-N -1 3 378.411 3.298 20 30 GGEDHM CC1(C)C[C@H](CNc2nc3c(c(-c4nnn[n-]4)c2C#N)CCCCCC3)CCO1 ZINC001575638399 950824389 /nfs/dbraw/zinc/82/43/89/950824389.db2.gz BHWDRQFXVRVLEY-CQSZACIVSA-N -1 3 395.511 3.409 20 30 GGEDHM CC1(C)C[C@H](CNc2nc3c(c(-c4nn[n-]n4)c2C#N)CCCCCC3)CCO1 ZINC001575638399 950824412 /nfs/dbraw/zinc/82/44/12/950824412.db2.gz BHWDRQFXVRVLEY-CQSZACIVSA-N -1 3 395.511 3.409 20 30 GGEDHM CC1(C)C[C@@H](CNc2nc3c(c(-c4nnn[n-]4)c2C#N)CCCCCC3)CCO1 ZINC001575638398 950828799 /nfs/dbraw/zinc/82/87/99/950828799.db2.gz BHWDRQFXVRVLEY-AWEZNQCLSA-N -1 3 395.511 3.409 20 30 GGEDHM CC1(C)C[C@@H](CNc2nc3c(c(-c4nn[n-]n4)c2C#N)CCCCCC3)CCO1 ZINC001575638398 950828822 /nfs/dbraw/zinc/82/88/22/950828822.db2.gz BHWDRQFXVRVLEY-AWEZNQCLSA-N -1 3 395.511 3.409 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588464396 958491462 /nfs/dbraw/zinc/49/14/62/958491462.db2.gz PAJRUMAWOLSXRD-FFZOFVMBSA-N -1 3 398.528 3.451 20 30 GGEDHM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(Cc3ccc(C#N)cc3C(F)(F)F)C2)cn1 ZINC000873646204 969361012 /nfs/dbraw/zinc/36/10/12/969361012.db2.gz YMZOZBDLBMYIPW-HUUCEWRRSA-N -1 3 392.381 3.001 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001592225940 977414030 /nfs/dbraw/zinc/41/40/30/977414030.db2.gz QECFQPDZJCXGFK-GJRWTSMGSA-N -1 3 387.505 3.204 20 30 GGEDHM CC[C@@H](C#N)Oc1cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC ZINC000736848775 978362086 /nfs/dbraw/zinc/36/20/86/978362086.db2.gz NDODABBBOIURAN-PXNSSMCTSA-N -1 3 379.416 3.163 20 30 GGEDHM C=CCCC[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000910916469 982163285 /nfs/dbraw/zinc/16/32/85/982163285.db2.gz WBMUIYGOYBWTBH-VQIMIIECSA-N -1 3 398.425 3.367 20 30 GGEDHM C#C[C@H](NCc1ccccc1OCc1ccc(C(=O)[O-])cc1)C1CCOCC1 ZINC001588377979 983359970 /nfs/dbraw/zinc/35/99/70/983359970.db2.gz SZZDQNAMPPNLIZ-NRFANRHFSA-N -1 3 379.456 3.482 20 30 GGEDHM C=C(C)[C@H](NCCCN1C(=O)CS/C1=C\C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588534405 983585376 /nfs/dbraw/zinc/58/53/76/983585376.db2.gz GGHLJZYKHROMHW-VUZIPCMWSA-N -1 3 382.432 3.063 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001588831730 984316304 /nfs/dbraw/zinc/31/63/04/984316304.db2.gz MHKMGBFIJLPNTA-HTAPYJJXSA-N -1 3 398.528 3.380 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001588831733 984316543 /nfs/dbraw/zinc/31/65/43/984316543.db2.gz MHKMGBFIJLPNTA-VGSWGCGISA-N -1 3 398.528 3.380 20 30 GGEDHM C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(C(=O)[O-])oc1C ZINC001588901142 984522776 /nfs/dbraw/zinc/52/27/76/984522776.db2.gz QLIRSDUJTFDNME-UHFFFAOYSA-N -1 3 390.509 3.384 20 30 GGEDHM CCOCCCN(Cc1cc(C#N)ccc1Br)C[C@H](C)C(=O)[O-] ZINC001596914550 985927581 /nfs/dbraw/zinc/92/75/81/985927581.db2.gz ABQBCOCCQHGLEN-ZDUSSCGKSA-N -1 3 383.286 3.270 20 30 GGEDHM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)C(C)(C)CC(=O)[O-])c1C#N ZINC001599974060 986059634 /nfs/dbraw/zinc/05/96/34/986059634.db2.gz JDKOZCHQIIWRPC-UHFFFAOYSA-N -1 3 396.491 3.149 20 30 GGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001589331534 986187314 /nfs/dbraw/zinc/18/73/14/986187314.db2.gz HNUCHCBDLJWHLH-NXEZDXNNSA-N -1 3 387.505 3.062 20 30 GGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001589331535 986187745 /nfs/dbraw/zinc/18/77/45/986187745.db2.gz HNUCHCBDLJWHLH-QZNHQWIBSA-N -1 3 387.505 3.062 20 30 GGEDHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccc(N(C)CCC#N)cc1 ZINC001594568201 986369547 /nfs/dbraw/zinc/36/95/47/986369547.db2.gz JCTLPCPRJHHWFB-GOSISDBHSA-N -1 3 392.503 3.445 20 30 GGEDHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccc(N(C)CCC#N)cc1 ZINC001594568210 986370311 /nfs/dbraw/zinc/37/03/11/986370311.db2.gz JCTLPCPRJHHWFB-SFHVURJKSA-N -1 3 392.503 3.445 20 30 GGEDHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC001589627532 987521793 /nfs/dbraw/zinc/52/17/93/987521793.db2.gz FJPIWHZJRLMJPH-UHFFFAOYSA-N -1 3 391.471 3.099 20 30 GGEDHM CN(C)[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)c1cccc(C(F)(F)F)c1 ZINC001598175730 990725423 /nfs/dbraw/zinc/72/54/23/990725423.db2.gz HGCREYHCVWTHEB-INIZCTEOSA-N -1 3 378.354 3.385 20 30 GGEDHM CN(CCOCC(F)(F)C(F)F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598496882 992379012 /nfs/dbraw/zinc/37/90/12/992379012.db2.gz NHAOCLWTWOSZJI-NSHDSACASA-N -1 3 377.256 3.078 20 30 GGEDHM C[C@@H](Oc1ccccc1CN1CCCN(c2ccccc2C#N)CC1)C(=O)[O-] ZINC001593645702 995977479 /nfs/dbraw/zinc/97/74/79/995977479.db2.gz LNRAEFPCHZDBBX-QGZVFWFLSA-N -1 3 379.460 3.122 20 30 GGEDHM COc1cc(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)ccc1C#N ZINC001599416351 997519028 /nfs/dbraw/zinc/51/90/28/997519028.db2.gz UIOGEXFLGXFDST-SFHVURJKSA-N -1 3 389.249 3.419 20 30 GGEDHM C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001594292769 999129521 /nfs/dbraw/zinc/12/95/21/999129521.db2.gz UGERWSHTWPAIOQ-DDDLWCFWSA-N -1 3 397.519 3.034 20 30 GGEDHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000426758432 1126088428 /nfs/dbraw/zinc/08/84/28/1126088428.db2.gz HZZXCRYCTIZROI-LLVKDONJSA-N -1 3 399.266 3.303 20 30 GGEDHM N#Cc1c(F)cccc1CN[C@@H](Cc1ccccc1Br)C(=O)[O-] ZINC001601081885 1126221771 /nfs/dbraw/zinc/22/17/71/1126221771.db2.gz AKGVQRLLEZQZDT-INIZCTEOSA-N -1 3 377.213 3.245 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000010979757 204341938 /nfs/dbraw/zinc/34/19/38/204341938.db2.gz VYPYKFWLSCWNFZ-UHFFFAOYSA-N -1 3 393.365 3.376 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000058217398 205170290 /nfs/dbraw/zinc/17/02/90/205170290.db2.gz NQRITKQBBQQBDV-NRFANRHFSA-N -1 3 375.472 3.475 20 30 GGEDHM Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000072307251 205322302 /nfs/dbraw/zinc/32/23/02/205322302.db2.gz ASLVVDNTQJXGRJ-UNMCSNQZSA-N -1 3 393.487 3.141 20 30 GGEDHM Cc1cn2c(/C=C\C(=O)c3ccc([N-]S(C)(=O)=O)cc3)c(C)nc2s1 ZINC000096402157 525912993 /nfs/dbraw/zinc/91/29/93/525912993.db2.gz RKAQEQDUZSYXSJ-HJWRWDBZSA-N -1 3 375.475 3.280 20 30 GGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000114673285 564180521 /nfs/dbraw/zinc/18/05/21/564180521.db2.gz NWMONOTVCIDJHY-UHFFFAOYSA-N -1 3 378.837 3.482 20 30 GGEDHM C[C@H]1CCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000004880334 564208680 /nfs/dbraw/zinc/20/86/80/564208680.db2.gz TWCHSPGJMUDMBZ-VHSXEESVSA-N -1 3 395.344 3.324 20 30 GGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000116905928 564219609 /nfs/dbraw/zinc/21/96/09/564219609.db2.gz ZWIITNKWDKOVDJ-QMMMGPOBSA-N -1 3 383.105 3.455 20 30 GGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000116905930 564219698 /nfs/dbraw/zinc/21/96/98/564219698.db2.gz ZWIITNKWDKOVDJ-MRVPVSSYSA-N -1 3 383.105 3.455 20 30 GGEDHM C=CCNC(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028660677 564363943 /nfs/dbraw/zinc/36/39/43/564363943.db2.gz YSBRNRHZOAHSQA-JTQLQIEISA-N -1 3 375.475 3.341 20 30 GGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000121442787 564369639 /nfs/dbraw/zinc/36/96/39/564369639.db2.gz GBTWYJNGCYEVNC-UHFFFAOYSA-N -1 3 377.809 3.087 20 30 GGEDHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000030360052 564379964 /nfs/dbraw/zinc/37/99/64/564379964.db2.gz UCZXLRJPTHFKLP-LLVKDONJSA-N -1 3 395.278 3.369 20 30 GGEDHM CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1[O-] ZINC000031225024 564387102 /nfs/dbraw/zinc/38/71/02/564387102.db2.gz FQWQZZNTCRDSMP-UHFFFAOYSA-N -1 3 391.221 3.443 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1nc(C(F)(F)F)cs1 ZINC000123620990 564455590 /nfs/dbraw/zinc/45/55/90/564455590.db2.gz AYRQFUPWFUVKJT-UHFFFAOYSA-N -1 3 395.815 3.208 20 30 GGEDHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000123701779 564458685 /nfs/dbraw/zinc/45/86/85/564458685.db2.gz LRVHETUCFSKPQC-UHFFFAOYSA-N -1 3 385.228 3.452 20 30 GGEDHM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000123730438 564459204 /nfs/dbraw/zinc/45/92/04/564459204.db2.gz CWFQDDQTJOFXPH-UHFFFAOYSA-N -1 3 398.893 3.033 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000124232034 564476233 /nfs/dbraw/zinc/47/62/33/564476233.db2.gz YWLWOSAPMRBCRV-SNVBAGLBSA-N -1 3 375.397 3.463 20 30 GGEDHM COCCC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000125320350 564511091 /nfs/dbraw/zinc/51/10/91/564511091.db2.gz ODFWTFIYPJMLAR-UHFFFAOYSA-N -1 3 376.400 3.062 20 30 GGEDHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1[N+](=O)[O-] ZINC000125503040 564516822 /nfs/dbraw/zinc/51/68/22/564516822.db2.gz ZQYVPTSQQYMHBJ-LLVKDONJSA-N -1 3 379.825 3.468 20 30 GGEDHM CC(=O)N[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)cc1 ZINC000051265886 564563079 /nfs/dbraw/zinc/56/30/79/564563079.db2.gz HSLYSORMWLHYBW-SNVBAGLBSA-N -1 3 375.738 3.332 20 30 GGEDHM CC(=O)N[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000051265886 564563082 /nfs/dbraw/zinc/56/30/82/564563082.db2.gz HSLYSORMWLHYBW-SNVBAGLBSA-N -1 3 375.738 3.332 20 30 GGEDHM N#Cc1ccsc1C(=O)[N-]c1ncn(Cc2ccc(Br)cc2)n1 ZINC000052033566 564569233 /nfs/dbraw/zinc/56/92/33/564569233.db2.gz FBZCZTXDYCNWGG-UHFFFAOYSA-N -1 3 388.250 3.274 20 30 GGEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000127303323 564579720 /nfs/dbraw/zinc/57/97/20/564579720.db2.gz FCNDHXJNEAACKV-QMMMGPOBSA-N -1 3 396.104 3.101 20 30 GGEDHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000057119172 564660371 /nfs/dbraw/zinc/66/03/71/564660371.db2.gz SAXIEDQRPILLDG-UHFFFAOYSA-N -1 3 377.853 3.151 20 30 GGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000130446237 564680741 /nfs/dbraw/zinc/68/07/41/564680741.db2.gz BHARJGHVLLUPTD-YGRLFVJLSA-N -1 3 375.263 3.339 20 30 GGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000130476633 564683112 /nfs/dbraw/zinc/68/31/12/564683112.db2.gz VQACOQVVVSHBLP-HZMBPMFUSA-N -1 3 375.263 3.339 20 30 GGEDHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000059773690 564693679 /nfs/dbraw/zinc/69/36/79/564693679.db2.gz GBZOXMKIKBURJI-UHFFFAOYSA-N -1 3 398.271 3.368 20 30 GGEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000066856492 564776628 /nfs/dbraw/zinc/77/66/28/564776628.db2.gz VEUYFMMODUBQGJ-LBPRGKRZSA-N -1 3 395.531 3.059 20 30 GGEDHM CCN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000068241741 564813173 /nfs/dbraw/zinc/81/31/73/564813173.db2.gz DOURPJCGZMQFKR-UHFFFAOYSA-N -1 3 377.853 3.126 20 30 GGEDHM O=C(c1ccc(Cl)s1)C(C(=S)[N-]C1CCOCC1)[n+]1cccc([O-])c1 ZINC000068866405 564828770 /nfs/dbraw/zinc/82/87/70/564828770.db2.gz RCRLUEYRASHZQL-UHFFFAOYSA-O -1 3 397.929 3.102 20 30 GGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1I ZINC000070430537 564849360 /nfs/dbraw/zinc/84/93/60/564849360.db2.gz VZBMAQJNNZELDV-UHFFFAOYSA-N -1 3 398.225 3.272 20 30 GGEDHM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c(Br)c1 ZINC000137411522 564862185 /nfs/dbraw/zinc/86/21/85/564862185.db2.gz HJEPYECEHFHFBX-UHFFFAOYSA-N -1 3 381.251 3.439 20 30 GGEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000096710834 564903198 /nfs/dbraw/zinc/90/31/98/564903198.db2.gz OUINFLOHPNEDKV-JTQLQIEISA-N -1 3 396.104 3.038 20 30 GGEDHM N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153599720 565002294 /nfs/dbraw/zinc/00/22/94/565002294.db2.gz ZAMXQWRHJLMJEC-UHFFFAOYSA-N -1 3 378.837 3.375 20 30 GGEDHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000108047772 565005128 /nfs/dbraw/zinc/00/51/28/565005128.db2.gz BXQOVXSFJKVBDE-UHFFFAOYSA-N -1 3 377.853 3.151 20 30 GGEDHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000154009631 565021836 /nfs/dbraw/zinc/02/18/36/565021836.db2.gz OVLYLHMMFZPCLR-UHFFFAOYSA-N -1 3 394.294 3.496 20 30 GGEDHM N#CCCCC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000112633381 565065369 /nfs/dbraw/zinc/06/53/69/565065369.db2.gz RTTCGTBAWNVALN-UHFFFAOYSA-N -1 3 396.104 3.184 20 30 GGEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000114054037 565072109 /nfs/dbraw/zinc/07/21/09/565072109.db2.gz XDZVLULYXBAWBI-UHFFFAOYSA-N -1 3 385.228 3.452 20 30 GGEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000156420211 565085508 /nfs/dbraw/zinc/08/55/08/565085508.db2.gz VEKQWOVGQHRZBD-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000184251414 565122720 /nfs/dbraw/zinc/12/27/20/565122720.db2.gz PXIRIXPIUGKELD-UHFFFAOYSA-N -1 3 386.216 3.252 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000184251148 565122864 /nfs/dbraw/zinc/12/28/64/565122864.db2.gz WNFXIMWEZXEZMF-UHFFFAOYSA-N -1 3 386.216 3.252 20 30 GGEDHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(Cl)c1 ZINC000184270083 565124155 /nfs/dbraw/zinc/12/41/55/565124155.db2.gz ZBTMTPKRCQLPPP-UHFFFAOYSA-N -1 3 398.271 3.091 20 30 GGEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000184282364 565125445 /nfs/dbraw/zinc/12/54/45/565125445.db2.gz HRLYZEJMEQGBHS-UHFFFAOYSA-N -1 3 378.837 3.416 20 30 GGEDHM N#Cc1cc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cnc1C(F)(F)F ZINC000293374395 565163916 /nfs/dbraw/zinc/16/39/16/565163916.db2.gz MZZGTRIMZBZLKE-UHFFFAOYSA-N -1 3 381.261 3.181 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCN(c3cccs3)CC2)c1 ZINC000185132602 565180300 /nfs/dbraw/zinc/18/03/00/565180300.db2.gz PCHSGWPPIGXFRQ-UHFFFAOYSA-N -1 3 381.910 3.220 20 30 GGEDHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000185172132 565182956 /nfs/dbraw/zinc/18/29/56/565182956.db2.gz HJFAUZBPUHTFSR-CJNGLKHVSA-N -1 3 378.881 3.045 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)c1 ZINC000186083956 565238578 /nfs/dbraw/zinc/23/85/78/565238578.db2.gz FBJOBDYYETZJGP-OAHLLOKOSA-N -1 3 395.937 3.389 20 30 GGEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000186432506 565261174 /nfs/dbraw/zinc/26/11/74/565261174.db2.gz DCIKTSHMRREUBP-MRVPVSSYSA-N -1 3 381.679 3.082 20 30 GGEDHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000271643972 565262673 /nfs/dbraw/zinc/26/26/73/565262673.db2.gz GZDUZJFEPQXBBG-GXTWGEPZSA-N -1 3 376.400 3.059 20 30 GGEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)cc1Cl ZINC000161160317 565275490 /nfs/dbraw/zinc/27/54/90/565275490.db2.gz YYDLMCBRINNCTJ-OAHLLOKOSA-N -1 3 387.864 3.188 20 30 GGEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)cc1Cl ZINC000272364892 565284905 /nfs/dbraw/zinc/28/49/05/565284905.db2.gz FVCZZTWFAAIVCX-HNNXBMFYSA-N -1 3 375.853 3.044 20 30 GGEDHM O=C1[C@@H](/N=C/c2cc(Br)ccc2[O-])CCCN1Cc1ccccn1 ZINC000273322165 565316684 /nfs/dbraw/zinc/31/66/84/565316684.db2.gz GJEVHXMBLGZSKD-XYHOIZSOSA-N -1 3 388.265 3.160 20 30 GGEDHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000273542639 565325081 /nfs/dbraw/zinc/32/50/81/565325081.db2.gz UGIZYWXBTLONRJ-VIFPVBQESA-N -1 3 389.424 3.424 20 30 GGEDHM COc1ccc(CN(CCC#N)Cc2ccccn2)c(Br)c1[O-] ZINC000273697771 565331174 /nfs/dbraw/zinc/33/11/74/565331174.db2.gz CMXFZVOFINMGSK-UHFFFAOYSA-N -1 3 376.254 3.474 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000163354613 565343751 /nfs/dbraw/zinc/34/37/51/565343751.db2.gz DFZZRUYZJIGTDD-NVXWUHKLSA-N -1 3 376.865 3.410 20 30 GGEDHM Cc1nccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1Cl ZINC000165253498 565369230 /nfs/dbraw/zinc/36/92/30/565369230.db2.gz UBXNZUBRRLNWNT-UHFFFAOYSA-N -1 3 386.658 3.478 20 30 GGEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000167046801 565377270 /nfs/dbraw/zinc/37/72/70/565377270.db2.gz NAXRUMWBLUGHNA-UHFFFAOYSA-N -1 3 396.104 3.040 20 30 GGEDHM CC[C@@H](C)[N-]C(=S)C(C(=O)c1c(C)noc1C)[n+]1cccc([O-])c1Cl ZINC000274733287 565379719 /nfs/dbraw/zinc/37/97/19/565379719.db2.gz DDWKILPCPCABOM-SECBINFHSA-O -1 3 382.893 3.265 20 30 GGEDHM Cc1noc(C)c1C(=O)C(C(=S)[N-]C(C)(C)C)[n+]1cccc([O-])c1Cl ZINC000274743050 565379955 /nfs/dbraw/zinc/37/99/55/565379955.db2.gz FSYMHANHAIOLPZ-UHFFFAOYSA-O -1 3 382.893 3.265 20 30 GGEDHM C=CC[C@H](C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000188764852 565422677 /nfs/dbraw/zinc/42/26/77/565422677.db2.gz MJDZZDZJXNGUOT-AWEZNQCLSA-N -1 3 398.937 3.156 20 30 GGEDHM C=CCC[C@H](C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)c1ccccc1 ZINC000188967177 565435466 /nfs/dbraw/zinc/43/54/66/565435466.db2.gz GXKXVXAURIWJCX-INIZCTEOSA-N -1 3 378.519 3.022 20 30 GGEDHM C=CCN1CCC([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000171536598 565436009 /nfs/dbraw/zinc/43/60/09/565436009.db2.gz UYNYQIOIWALRQL-UHFFFAOYSA-N -1 3 393.734 3.031 20 30 GGEDHM C[C@H](C#N)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000171847168 565454471 /nfs/dbraw/zinc/45/44/71/565454471.db2.gz BBDBJFAYGPVNIX-GFCCVEGCSA-N -1 3 377.853 3.030 20 30 GGEDHM C=CC[C@H](NCc1cc(Br)cc(Br)c1OC)C(=O)[O-] ZINC000277157004 565479255 /nfs/dbraw/zinc/47/92/55/565479255.db2.gz CYBZZXSSYHAORT-NSHDSACASA-N -1 3 393.075 3.339 20 30 GGEDHM CC[N-]C(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cc([O-])cc(Cl)c1 ZINC000172473414 565487473 /nfs/dbraw/zinc/48/74/73/565487473.db2.gz SJPJHFBSPLBUDJ-UHFFFAOYSA-O -1 3 375.901 3.370 20 30 GGEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1Cl ZINC000301785497 565509817 /nfs/dbraw/zinc/50/98/17/565509817.db2.gz LCHRCFCNOICPGM-UHFFFAOYSA-N -1 3 376.290 3.317 20 30 GGEDHM N#Cc1ccc(Cl)cc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000301803299 565511233 /nfs/dbraw/zinc/51/12/33/565511233.db2.gz UEXLFBPNEMKQFM-UHFFFAOYSA-N -1 3 376.290 3.317 20 30 GGEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000173204812 565536308 /nfs/dbraw/zinc/53/63/08/565536308.db2.gz YWHDHBRNOIUHRN-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000278464343 565560154 /nfs/dbraw/zinc/56/01/54/565560154.db2.gz YJFUAODTGKNJQB-SECBINFHSA-N -1 3 375.397 3.214 20 30 GGEDHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1C ZINC000393199052 565568176 /nfs/dbraw/zinc/56/81/76/565568176.db2.gz FNHHJUKMQOCWJU-UHFFFAOYSA-N -1 3 381.841 3.134 20 30 GGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000191226303 565589882 /nfs/dbraw/zinc/58/98/82/565589882.db2.gz NHLKDNJKGOBHNF-UHFFFAOYSA-N -1 3 376.821 3.150 20 30 GGEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000173836379 565592194 /nfs/dbraw/zinc/59/21/94/565592194.db2.gz CTHWHKSNHYVOFP-NSHDSACASA-N -1 3 375.397 3.463 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000173836040 565592475 /nfs/dbraw/zinc/59/24/75/565592475.db2.gz TXYNHJWFBXXLLB-LLVKDONJSA-N -1 3 375.397 3.463 20 30 GGEDHM C=CCCS(=O)(=O)[N-]c1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000279088113 565594207 /nfs/dbraw/zinc/59/42/07/565594207.db2.gz MZEORLBMDONSML-UHFFFAOYSA-N -1 3 387.299 3.003 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000408113824 565596034 /nfs/dbraw/zinc/59/60/34/565596034.db2.gz ASVVQQYMIZAZFX-UHFFFAOYSA-N -1 3 379.226 3.177 20 30 GGEDHM C#CCn1ccc(CN(CC)Cc2ccc(OC)c([O-])c2Br)n1 ZINC000279407706 565611501 /nfs/dbraw/zinc/61/15/01/565611501.db2.gz NIOANGMQRXYXSG-UHFFFAOYSA-N -1 3 378.270 3.015 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Br)c(F)c1 ZINC000174239660 565623624 /nfs/dbraw/zinc/62/36/24/565623624.db2.gz XTLHJRACDXQZFN-UHFFFAOYSA-N -1 3 392.228 3.336 20 30 GGEDHM N#Cc1cccc(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)c1 ZINC000409540356 565623747 /nfs/dbraw/zinc/62/37/47/565623747.db2.gz BCARJCLRFOUGFS-UHFFFAOYSA-N -1 3 386.184 3.497 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)C(=O)[N-]c1sccc1C(=O)OCC ZINC000174702746 565653450 /nfs/dbraw/zinc/65/34/50/565653450.db2.gz YRONRIHCWZUOPQ-UHFFFAOYSA-N -1 3 378.475 3.140 20 30 GGEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)C12CCCCC2 ZINC000329280807 565662327 /nfs/dbraw/zinc/66/23/27/565662327.db2.gz MZZHZMXZRPPILI-CHWSQXEVSA-N -1 3 387.527 3.157 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192267772 565674996 /nfs/dbraw/zinc/67/49/96/565674996.db2.gz CGVVGEYYJDQMQP-KSSFIOAISA-N -1 3 376.865 3.268 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)c(Cl)c1 ZINC000192266414 565675096 /nfs/dbraw/zinc/67/50/96/565675096.db2.gz VANAJGJVASGMFM-YJBOKZPZSA-N -1 3 376.865 3.268 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192269939 565675373 /nfs/dbraw/zinc/67/53/73/565675373.db2.gz ZORXSQPBUOYMGR-KSSFIOAISA-N -1 3 376.865 3.268 20 30 GGEDHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3ccc(Cl)cc3C#N)nc21 ZINC000410319583 565677073 /nfs/dbraw/zinc/67/70/73/565677073.db2.gz WVGQXYCGDSYCRO-UHFFFAOYSA-N -1 3 375.837 3.182 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)cn1 ZINC000410398058 565682997 /nfs/dbraw/zinc/68/29/97/565682997.db2.gz NSHYCTWYCYGECY-UHFFFAOYSA-N -1 3 390.621 3.309 20 30 GGEDHM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)co1 ZINC000410927252 565701147 /nfs/dbraw/zinc/70/11/47/565701147.db2.gz KBAXRKZQBDWVHL-UHFFFAOYSA-N -1 3 381.479 3.013 20 30 GGEDHM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000330798197 565723983 /nfs/dbraw/zinc/72/39/83/565723983.db2.gz HPQPXUYGAFFKIB-LDYMZIIASA-N -1 3 397.216 3.438 20 30 GGEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332172889 565813005 /nfs/dbraw/zinc/81/30/05/565813005.db2.gz QGNOFDLFTZWWGP-AMIZOPFISA-N -1 3 394.656 3.366 20 30 GGEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000332172889 565813011 /nfs/dbraw/zinc/81/30/11/565813011.db2.gz QGNOFDLFTZWWGP-AMIZOPFISA-N -1 3 394.656 3.366 20 30 GGEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332172906 565813096 /nfs/dbraw/zinc/81/30/96/565813096.db2.gz QGNOFDLFTZWWGP-SDBXPKJASA-N -1 3 394.656 3.366 20 30 GGEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000332172906 565813102 /nfs/dbraw/zinc/81/31/02/565813102.db2.gz QGNOFDLFTZWWGP-SDBXPKJASA-N -1 3 394.656 3.366 20 30 GGEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)sc1C ZINC000177667391 565865665 /nfs/dbraw/zinc/86/56/65/565865665.db2.gz BNHNTAGUBIQPCX-UHFFFAOYSA-N -1 3 375.397 3.129 20 30 GGEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000285127277 565888939 /nfs/dbraw/zinc/88/89/39/565888939.db2.gz PTWCSFZUVHSQSS-LLVKDONJSA-N -1 3 383.720 3.026 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2Br)c(Cl)c1 ZINC000227300411 565922091 /nfs/dbraw/zinc/92/20/91/565922091.db2.gz ADVQMZVATZAMCI-UHFFFAOYSA-N -1 3 385.670 3.453 20 30 GGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000414450316 565935249 /nfs/dbraw/zinc/93/52/49/565935249.db2.gz FPKPIEQULCGNFQ-CYBMUJFWSA-N -1 3 395.319 3.210 20 30 GGEDHM Cc1cc(S(=O)(=O)[N-]c2ccccc2I)ccc1C#N ZINC000235901287 565936794 /nfs/dbraw/zinc/93/67/94/565936794.db2.gz KTQGPHOLSLQWHM-UHFFFAOYSA-N -1 3 398.225 3.272 20 30 GGEDHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000180142622 566036249 /nfs/dbraw/zinc/03/62/49/566036249.db2.gz JSEBABXDGNKKOB-XJKSGUPXSA-N -1 3 378.881 3.045 20 30 GGEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(F)c(F)c1 ZINC000180185913 566041369 /nfs/dbraw/zinc/04/13/69/566041369.db2.gz RLZZWQLHYRPKFZ-HNNXBMFYSA-N -1 3 386.807 3.156 20 30 GGEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000180187593 566042578 /nfs/dbraw/zinc/04/25/78/566042578.db2.gz ULFFNSZBVVUFGK-MRXNPFEDSA-N -1 3 386.807 3.156 20 30 GGEDHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cs1 ZINC000180239080 566046268 /nfs/dbraw/zinc/04/62/68/566046268.db2.gz JBIGANPYPOZJFR-UHFFFAOYSA-N -1 3 383.926 3.487 20 30 GGEDHM N#CC1(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCC1 ZINC000416346878 566055178 /nfs/dbraw/zinc/05/51/78/566055178.db2.gz MTRNLQQLDQPPRB-UHFFFAOYSA-N -1 3 394.656 3.368 20 30 GGEDHM N#CC1(CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CCC1 ZINC000416346878 566055181 /nfs/dbraw/zinc/05/51/81/566055181.db2.gz MTRNLQQLDQPPRB-UHFFFAOYSA-N -1 3 394.656 3.368 20 30 GGEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1 ZINC000416434557 566068399 /nfs/dbraw/zinc/06/83/99/566068399.db2.gz VDEPAPYAZGAPIT-CQSZACIVSA-N -1 3 399.310 3.091 20 30 GGEDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416445726 566069603 /nfs/dbraw/zinc/06/96/03/566069603.db2.gz MOAVKVZRRYOYJX-SECBINFHSA-N -1 3 398.282 3.008 20 30 GGEDHM C[C@H](C#N)S(=O)(=O)[N-]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000416484250 566074441 /nfs/dbraw/zinc/07/44/41/566074441.db2.gz RTFBYNOGDDIYQK-KDOFPFPSSA-N -1 3 378.881 3.429 20 30 GGEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416485359 566074536 /nfs/dbraw/zinc/07/45/36/566074536.db2.gz FGNBBJUPOUZPBO-UHFFFAOYSA-N -1 3 379.360 3.222 20 30 GGEDHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000416582900 566090468 /nfs/dbraw/zinc/09/04/68/566090468.db2.gz FDRCXAUMAZCCIK-BMIGLBTASA-N -1 3 376.400 3.059 20 30 GGEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)CC(F)(F)F ZINC000416590392 566091388 /nfs/dbraw/zinc/09/13/88/566091388.db2.gz BQBZXFJXEQTEGK-QMMMGPOBSA-N -1 3 385.205 3.188 20 30 GGEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)CC(F)(F)F ZINC000416607529 566095022 /nfs/dbraw/zinc/09/50/22/566095022.db2.gz PUOJZVVBVOJCTL-MRVPVSSYSA-N -1 3 385.205 3.188 20 30 GGEDHM N#Cc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000416664133 566101959 /nfs/dbraw/zinc/10/19/59/566101959.db2.gz RULGSVGYVRUIAZ-ZDUSSCGKSA-N -1 3 381.251 3.270 20 30 GGEDHM CCOc1cc(Br)c([N-]S(=O)(=O)[C@@H](C#N)CC)cc1OCC ZINC000416934938 566113630 /nfs/dbraw/zinc/11/36/30/566113630.db2.gz FKBLCUVCRSSGEQ-SNVBAGLBSA-N -1 3 391.287 3.290 20 30 GGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000416965480 566116263 /nfs/dbraw/zinc/11/62/63/566116263.db2.gz XPMGEYRYCXDJAG-KOSHJBKYSA-N -1 3 376.503 3.179 20 30 GGEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000266136941 566246428 /nfs/dbraw/zinc/24/64/28/566246428.db2.gz CABBCPHGYSLQFC-UHFFFAOYSA-N -1 3 375.397 3.129 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(CCCSCC)no2)ccc1F ZINC000445745608 566309497 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GGEDHM N#C[C@]1([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)CCc2ccccc2C1 ZINC000446773537 566366450 /nfs/dbraw/zinc/36/64/50/566366450.db2.gz QIFYHYNSIJBXKV-SFHVURJKSA-N -1 3 378.856 3.350 20 30 GGEDHM C=CCOc1c(Br)cc(CNC2([C@@H](C)C(=O)[O-])CC2)cc1OC ZINC000649509388 566369775 /nfs/dbraw/zinc/36/97/75/566369775.db2.gz YFJDFRMOOZGPFF-NSHDSACASA-N -1 3 384.270 3.365 20 30 GGEDHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000510395296 566379639 /nfs/dbraw/zinc/37/96/39/566379639.db2.gz MJQJJDPIVHDGIM-SWLSCSKDSA-N -1 3 381.885 3.212 20 30 GGEDHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000510432486 566382589 /nfs/dbraw/zinc/38/25/89/566382589.db2.gz TZKDOIGUYKTHOJ-DOMZBBRYSA-N -1 3 381.885 3.212 20 30 GGEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483572944 566392052 /nfs/dbraw/zinc/39/20/52/566392052.db2.gz KWRGNNLDYLTKSG-UHFFFAOYSA-N -1 3 379.795 3.436 20 30 GGEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483572944 566392055 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N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000561515013 566711899 /nfs/dbraw/zinc/71/18/99/566711899.db2.gz VSPJWBLMDFJPMG-ZDUSSCGKSA-N -1 3 395.303 3.446 20 30 GGEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000561561679 566722117 /nfs/dbraw/zinc/72/21/17/566722117.db2.gz SKIREIUENAEGLS-UHFFFAOYSA-N -1 3 379.360 3.222 20 30 GGEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000488427169 566725641 /nfs/dbraw/zinc/72/56/41/566725641.db2.gz XLJAVTIHMKSXED-GJZGRUSLSA-N -1 3 386.901 3.114 20 30 GGEDHM N#CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000541451105 566725898 /nfs/dbraw/zinc/72/58/98/566725898.db2.gz HOUGZWYPBFZNRY-UHFFFAOYSA-N -1 3 377.853 3.174 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000580825115 566726077 /nfs/dbraw/zinc/72/60/77/566726077.db2.gz NYCAMDYBYYWVDZ-UHFFFAOYSA-N -1 3 395.253 3.427 20 30 GGEDHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451004533 566732029 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GGEDHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000488791617 566748088 /nfs/dbraw/zinc/74/80/88/566748088.db2.gz LRFDYRNKHGVGPW-ZETCQYMHSA-N -1 3 383.285 3.090 20 30 GGEDHM CC(C)(C)Oc1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc1C#N ZINC000451081512 566750040 /nfs/dbraw/zinc/75/00/40/566750040.db2.gz DPTYRDXWSUEMIX-UHFFFAOYSA-N -1 3 380.388 3.056 20 30 GGEDHM CN(CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)CC(F)(F)F ZINC000488848946 566752009 /nfs/dbraw/zinc/75/20/09/566752009.db2.gz CITZNGNBBFVSAK-UHFFFAOYSA-N -1 3 396.328 3.007 20 30 GGEDHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427250043 566761131 /nfs/dbraw/zinc/76/11/31/566761131.db2.gz PNFRYRSESFBEAH-HSZRJFAPSA-N -1 3 386.857 3.030 20 30 GGEDHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000451189484 566773563 /nfs/dbraw/zinc/77/35/63/566773563.db2.gz GVGUZVHPESXNHR-CQSZACIVSA-N -1 3 379.482 3.015 20 30 GGEDHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCC#N)c(Br)c1 ZINC000542243506 566787537 /nfs/dbraw/zinc/78/75/37/566787537.db2.gz SMKWWWZTVMANLC-UHFFFAOYSA-N -1 3 396.104 3.102 20 30 GGEDHM Cc1nc(C[N-]S(=O)(=O)CC2(CC#N)CC2)oc1-c1ccc(Cl)cc1 ZINC000451294579 566791071 /nfs/dbraw/zinc/79/10/71/566791071.db2.gz IHXOQDMPMDDTRQ-UHFFFAOYSA-N -1 3 379.869 3.417 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)CCCCC1 ZINC000581589520 566791292 /nfs/dbraw/zinc/79/12/92/566791292.db2.gz BTOACAWPZWVSIS-MRXNPFEDSA-N -1 3 382.551 3.345 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000489551965 566794948 /nfs/dbraw/zinc/79/49/48/566794948.db2.gz RPZAVRWLHXNGSA-UHFFFAOYSA-N -1 3 393.387 3.386 20 30 GGEDHM C=C[C@H]1CCCCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000428034009 566812747 /nfs/dbraw/zinc/81/27/47/566812747.db2.gz CGFDWDRGQNAHCR-LBPRGKRZSA-N -1 3 391.320 3.229 20 30 GGEDHM N#CC1CCC(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489852714 566814195 /nfs/dbraw/zinc/81/41/95/566814195.db2.gz RLZZMTRRCCMKRC-UHFFFAOYSA-N -1 3 380.363 3.333 20 30 GGEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000517240133 566814582 /nfs/dbraw/zinc/81/45/82/566814582.db2.gz ZEYRRSVMBGQGBS-XHDPSFHLSA-N -1 3 382.283 3.072 20 30 GGEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2cccc(Br)c2)CCC1 ZINC000428235892 566824634 /nfs/dbraw/zinc/82/46/34/566824634.db2.gz FEWYLHSWSWYESK-UHFFFAOYSA-N -1 3 392.278 3.073 20 30 GGEDHM C=CCC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCCC1 ZINC000451506389 566829153 /nfs/dbraw/zinc/82/91/53/566829153.db2.gz VQBAIIMMIFPMOO-UHFFFAOYSA-N -1 3 388.892 3.010 20 30 GGEDHM CC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cc(F)cc(Br)c1 ZINC000428423185 566842843 /nfs/dbraw/zinc/84/28/43/566842843.db2.gz OEOKMRNXRLSSOR-ZDUSSCGKSA-N -1 3 398.257 3.284 20 30 GGEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000582301793 566848813 /nfs/dbraw/zinc/84/88/13/566848813.db2.gz WBTWRWRHTMSAAK-LBPRGKRZSA-N -1 3 379.707 3.460 20 30 GGEDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000451656253 566857820 /nfs/dbraw/zinc/85/78/20/566857820.db2.gz SQGGXXFRYGNHLY-VIFPVBQESA-N -1 3 397.312 3.480 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1OCCc2sccc21 ZINC000490528197 566861219 /nfs/dbraw/zinc/86/12/19/566861219.db2.gz OTEBUZPBSJNEKC-QLJPJBMISA-N -1 3 382.894 3.254 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1OCCc2sccc21 ZINC000490525757 566861428 /nfs/dbraw/zinc/86/14/28/566861428.db2.gz DOAKDFHCYRDVFF-MGPLVRAMSA-N -1 3 382.894 3.254 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1OCCc2sccc21 ZINC000490525759 566861906 /nfs/dbraw/zinc/86/19/06/566861906.db2.gz DOAKDFHCYRDVFF-QLJPJBMISA-N -1 3 382.894 3.254 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1OCCc2sccc21 ZINC000490579604 566866176 /nfs/dbraw/zinc/86/61/76/566866176.db2.gz NFMYFHGLRFRYSO-QLJPJBMISA-N -1 3 382.894 3.254 20 30 GGEDHM N#CC1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC000543414553 566878574 /nfs/dbraw/zinc/87/85/74/566878574.db2.gz WWZNXSIPFNBWBY-UHFFFAOYSA-N -1 3 383.189 3.050 20 30 GGEDHM COc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611016718 566883512 /nfs/dbraw/zinc/88/35/12/566883512.db2.gz AZIYWSONSZGAJQ-CQSZACIVSA-N -1 3 378.837 3.022 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000611025552 566883679 /nfs/dbraw/zinc/88/36/79/566883679.db2.gz YZTSHUAEGCKHSI-UHFFFAOYSA-N -1 3 378.734 3.247 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccccc1N1CCCC1 ZINC000611015748 566883897 /nfs/dbraw/zinc/88/38/97/566883897.db2.gz SGVHOANNCLRYBW-UHFFFAOYSA-N -1 3 375.881 3.290 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000611016934 566884272 /nfs/dbraw/zinc/88/42/72/566884272.db2.gz FRDPQQWRCRZYKV-HUUCEWRRSA-N -1 3 395.253 3.294 20 30 GGEDHM COc1cc(Br)c(S(=O)(=O)[N-][C@H](C#N)CC(C)C)cc1Cl ZINC000611113753 566890934 /nfs/dbraw/zinc/89/09/34/566890934.db2.gz IAGRWTLTJOPHLB-VIFPVBQESA-N -1 3 395.706 3.328 20 30 GGEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000611114065 566891056 /nfs/dbraw/zinc/89/10/56/566891056.db2.gz YNQAHWMMEMJTEZ-GFCCVEGCSA-N -1 3 375.288 3.064 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451831646 566891076 /nfs/dbraw/zinc/89/10/76/566891076.db2.gz ZXSMUCWBGPLQGN-SECBINFHSA-N -1 3 379.226 3.034 20 30 GGEDHM N#C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C1CCCCC1 ZINC000543644702 566896100 /nfs/dbraw/zinc/89/61/00/566896100.db2.gz ODBYNNIDECQFMW-CQSZACIVSA-N -1 3 399.310 3.135 20 30 GGEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nccs1 ZINC000543667938 566898624 /nfs/dbraw/zinc/89/86/24/566898624.db2.gz PBKNUBUMYAQBEM-VIFPVBQESA-N -1 3 375.397 3.116 20 30 GGEDHM C=C(C)CN(CC)C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000656502232 566904987 /nfs/dbraw/zinc/90/49/87/566904987.db2.gz YOBRRVZCHFZYLX-UHFFFAOYSA-N -1 3 398.834 3.062 20 30 GGEDHM COCC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCCC1 ZINC000452040738 566926132 /nfs/dbraw/zinc/92/61/32/566926132.db2.gz BIASBCWHBFMCGO-UHFFFAOYSA-N -1 3 376.400 3.062 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452075476 566929727 /nfs/dbraw/zinc/92/97/27/566929727.db2.gz BXBUNDGEMNBYGE-MRXNPFEDSA-N -1 3 396.921 3.455 20 30 GGEDHM CC(C)(C#N)CNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000611696704 566934227 /nfs/dbraw/zinc/93/42/27/566934227.db2.gz GBVAWAJYZXCLEP-UHFFFAOYSA-N -1 3 383.539 3.029 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](c1cccs1)C1(CO)CCC1 ZINC000452095904 566934718 /nfs/dbraw/zinc/93/47/18/566934718.db2.gz WPLLSVNUYSIPOB-MRXNPFEDSA-N -1 3 396.921 3.455 20 30 GGEDHM C=CC[C@@H](CC)NC(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000564010003 566935550 /nfs/dbraw/zinc/93/55/50/566935550.db2.gz AOQIVZJOBFLUCT-LLVKDONJSA-N -1 3 398.834 3.108 20 30 GGEDHM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C2 ZINC000612144169 566956656 /nfs/dbraw/zinc/95/66/56/566956656.db2.gz ZMJXLEVCJVPCOG-AWEZNQCLSA-N -1 3 376.865 3.056 20 30 GGEDHM COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C2 ZINC000612143705 566956876 /nfs/dbraw/zinc/95/68/76/566956876.db2.gz GAASPQQSKXFJJI-OAHLLOKOSA-N -1 3 376.865 3.056 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c(Cl)c1 ZINC000429877689 566962421 /nfs/dbraw/zinc/96/24/21/566962421.db2.gz CKWMNJGUEQPARW-UHFFFAOYSA-N -1 3 378.734 3.247 20 30 GGEDHM CN(Cc1ccc(C#N)cc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429968984 566970758 /nfs/dbraw/zinc/97/07/58/566970758.db2.gz NHWQRUTWZMLTKT-UHFFFAOYSA-N -1 3 384.237 3.054 20 30 GGEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)OCCc2sccc21 ZINC000564498443 566979606 /nfs/dbraw/zinc/97/96/06/566979606.db2.gz USFZEANWPWOOCH-MRXNPFEDSA-N -1 3 382.894 3.040 20 30 GGEDHM Cc1ccsc1CC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000583770856 566981431 /nfs/dbraw/zinc/98/14/31/566981431.db2.gz ZBAYRKKDVHXNQH-UHFFFAOYSA-N -1 3 385.308 3.212 20 30 GGEDHM C=CCCCCCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000583762649 566982271 /nfs/dbraw/zinc/98/22/71/566982271.db2.gz ATYLPKIIMZMZQY-UHFFFAOYSA-N -1 3 382.507 3.296 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000583860634 566991008 /nfs/dbraw/zinc/99/10/08/566991008.db2.gz RJVXBEGARSBNNG-BXUZGUMPSA-N -1 3 382.894 3.472 20 30 GGEDHM C=CCC1(C[N-]S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)CCCC1 ZINC000657008625 566997851 /nfs/dbraw/zinc/99/78/51/566997851.db2.gz YMBDETDJWMGFDQ-UHFFFAOYSA-N -1 3 382.551 3.068 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)c1 ZINC000472187428 567006226 /nfs/dbraw/zinc/00/62/26/567006226.db2.gz CPHUDZILSFIETH-UHFFFAOYSA-N -1 3 386.807 3.334 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccccc1OC(F)F ZINC000472208579 567010019 /nfs/dbraw/zinc/01/00/19/567010019.db2.gz RPRHAPMWSLKWIO-UHFFFAOYSA-N -1 3 386.807 3.334 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000584161512 567016793 /nfs/dbraw/zinc/01/67/93/567016793.db2.gz KINUIOAQBVRBCO-TZMCWYRMSA-N -1 3 382.894 3.472 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@H]3CCCCS3)no2)ccc1F ZINC000545105121 567020304 /nfs/dbraw/zinc/02/03/04/567020304.db2.gz QYLFONYDVVGFEP-CYBMUJFWSA-N -1 3 383.470 3.298 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2cnc3ncc(Br)cc3c2)nc(C)n1 ZINC000682010929 567022997 /nfs/dbraw/zinc/02/29/97/567022997.db2.gz GHYZYUXORGRXHL-CQSZACIVSA-N -1 3 382.221 3.289 20 30 GGEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(CS(C)(=O)=O)c2)s1 ZINC000430594691 567025528 /nfs/dbraw/zinc/02/55/28/567025528.db2.gz SDNPZWMDIYCKPD-AWEZNQCLSA-N -1 3 376.503 3.475 20 30 GGEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(Br)ccc1OCCC ZINC000657149154 567025728 /nfs/dbraw/zinc/02/57/28/567025728.db2.gz JMODDTSRUGVSSF-UHFFFAOYSA-N -1 3 392.315 3.109 20 30 GGEDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000613270042 567025975 /nfs/dbraw/zinc/02/59/75/567025975.db2.gz GBBMTHAIUCQNNN-UHFFFAOYSA-N -1 3 375.397 3.159 20 30 GGEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000584412097 567040640 /nfs/dbraw/zinc/04/06/40/567040640.db2.gz QXSHWOKTZXZZFI-ZDUSSCGKSA-N -1 3 377.691 3.214 20 30 GGEDHM Cc1ncc(Br)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000453009976 567041584 /nfs/dbraw/zinc/04/15/84/567041584.db2.gz ZKIIRSKMIXWYNC-UHFFFAOYSA-N -1 3 389.253 3.313 20 30 GGEDHM COC(=O)CC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCCC1 ZINC000472700869 567046001 /nfs/dbraw/zinc/04/60/01/567046001.db2.gz PDIIJGAPKPYFCT-UHFFFAOYSA-N -1 3 384.885 3.004 20 30 GGEDHM N#CC(=C([O-])c1ccc(Cl)c(I)c1)c1ccncn1 ZINC000545446327 567050568 /nfs/dbraw/zinc/05/05/68/567050568.db2.gz BBXHOSHVYMFHCV-SECBINFHSA-N -1 3 383.576 3.225 20 30 GGEDHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000584552275 567053506 /nfs/dbraw/zinc/05/35/06/567053506.db2.gz UPJXRCQXWHLRCV-QLJPJBMISA-N -1 3 393.262 3.121 20 30 GGEDHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000584552274 567053638 /nfs/dbraw/zinc/05/36/38/567053638.db2.gz UPJXRCQXWHLRCV-QFYYESIMSA-N -1 3 393.262 3.121 20 30 GGEDHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000584552273 567054232 /nfs/dbraw/zinc/05/42/32/567054232.db2.gz UPJXRCQXWHLRCV-MGPLVRAMSA-N -1 3 393.262 3.121 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2cc(Br)cc([N+](=O)[O-])c2)nc(C)n1 ZINC000431130158 567058900 /nfs/dbraw/zinc/05/89/00/567058900.db2.gz WQKOKRBFKJBMLJ-ZDUSSCGKSA-N -1 3 375.182 3.254 20 30 GGEDHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1Cl ZINC000431180396 567063575 /nfs/dbraw/zinc/06/35/75/567063575.db2.gz HALGUZOYKZBLHF-UHFFFAOYSA-N -1 3 385.228 3.452 20 30 GGEDHM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C2 ZINC000613946168 567072410 /nfs/dbraw/zinc/07/24/10/567072410.db2.gz BDCXUWBWZMLMHK-HNNXBMFYSA-N -1 3 376.865 3.056 20 30 GGEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc(SCC#N)c2)c1 ZINC000431337884 567076516 /nfs/dbraw/zinc/07/65/16/567076516.db2.gz PUVWMRKRLXXAJL-UHFFFAOYSA-N -1 3 375.475 3.235 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000522057952 567098658 /nfs/dbraw/zinc/09/86/58/567098658.db2.gz LWHLPQXMDZHANN-WBMJQRKESA-N -1 3 384.548 3.440 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000546072861 567102168 /nfs/dbraw/zinc/10/21/68/567102168.db2.gz FCQXHAQZYKAIEE-HZPDHXFCSA-N -1 3 386.876 3.312 20 30 GGEDHM CCOc1c(Br)cc(C([O-])=C(C#N)c2ccncn2)cc1OC ZINC000546152605 567108710 /nfs/dbraw/zinc/10/87/10/567108710.db2.gz CSLCJXXFURGNOK-NSHDSACASA-N -1 3 376.210 3.136 20 30 GGEDHM C=C(C[N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccccc1 ZINC000588138677 567116814 /nfs/dbraw/zinc/11/68/14/567116814.db2.gz RDNLJRWODNQSQS-UHFFFAOYSA-N -1 3 377.263 3.312 20 30 GGEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000614557953 567121572 /nfs/dbraw/zinc/12/15/72/567121572.db2.gz NEDAZGAAOOSAEK-CQSZACIVSA-N -1 3 386.901 3.116 20 30 GGEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000474061695 567129367 /nfs/dbraw/zinc/12/93/67/567129367.db2.gz DAVZWSPRECJRJQ-NSHDSACASA-N -1 3 395.278 3.369 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccccc1 ZINC000589122304 567157580 /nfs/dbraw/zinc/15/75/80/567157580.db2.gz MBAYXXGWWXRVAN-SNVBAGLBSA-N -1 3 383.242 3.499 20 30 GGEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccsc1 ZINC000523573817 567162333 /nfs/dbraw/zinc/16/23/33/567162333.db2.gz FJFYDZHXSYRKQQ-INIZCTEOSA-N -1 3 381.498 3.120 20 30 GGEDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000546884558 567168130 /nfs/dbraw/zinc/16/81/30/567168130.db2.gz NFEJFVFKIWOVQQ-SNVBAGLBSA-N -1 3 385.205 3.330 20 30 GGEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000589596512 567184779 /nfs/dbraw/zinc/18/47/79/567184779.db2.gz HEROPRRUUGXWIO-LBPRGKRZSA-N -1 3 397.216 3.438 20 30 GGEDHM CC(C)(CCC#N)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000589914908 567197089 /nfs/dbraw/zinc/19/70/89/567197089.db2.gz LDCDUHYKYYSLKH-UHFFFAOYSA-N -1 3 376.254 3.350 20 30 GGEDHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432965154 567211208 /nfs/dbraw/zinc/21/12/08/567211208.db2.gz DRDDIRXKFSUPRB-UHFFFAOYSA-N -1 3 394.294 3.496 20 30 GGEDHM N#CCCOCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000590127860 567211338 /nfs/dbraw/zinc/21/13/38/567211338.db2.gz IVRRXENYZRYSDE-UHFFFAOYSA-N -1 3 375.841 3.197 20 30 GGEDHM C=CCOCCCC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000525239480 567237442 /nfs/dbraw/zinc/23/74/42/567237442.db2.gz SHQCCTQJIDYPIS-UHFFFAOYSA-N -1 3 382.233 3.322 20 30 GGEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 ZINC000547794665 567247129 /nfs/dbraw/zinc/24/71/29/567247129.db2.gz AKQMYXSAZVMURN-INIZCTEOSA-N -1 3 398.315 3.446 20 30 GGEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1Cl ZINC000475563252 567257191 /nfs/dbraw/zinc/25/71/91/567257191.db2.gz VURLNVLEEOGECG-MRXNPFEDSA-N -1 3 398.315 3.446 20 30 GGEDHM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475570466 567257482 /nfs/dbraw/zinc/25/74/82/567257482.db2.gz SOGFYYHJPZHVHB-JTQLQIEISA-N -1 3 386.807 3.236 20 30 GGEDHM CN(CCCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000475591856 567260784 /nfs/dbraw/zinc/26/07/84/567260784.db2.gz RBTNTPFKIYMVFS-UHFFFAOYSA-N -1 3 377.897 3.407 20 30 GGEDHM CSc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000499708484 567267534 /nfs/dbraw/zinc/26/75/34/567267534.db2.gz QRRGDAFDJVPHRO-LLVKDONJSA-N -1 3 377.447 3.228 20 30 GGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000547951917 567268583 /nfs/dbraw/zinc/26/85/83/567268583.db2.gz YHXFYMAGSLLUGP-CABCVRRESA-N -1 3 386.901 3.258 20 30 GGEDHM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000499739493 567269521 /nfs/dbraw/zinc/26/95/21/567269521.db2.gz AVCZBWOLXORNCS-UHFFFAOYSA-N -1 3 378.881 3.485 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000475798487 567278407 /nfs/dbraw/zinc/27/84/07/567278407.db2.gz YJFIWAQDUJYXBW-OAHLLOKOSA-N -1 3 375.881 3.159 20 30 GGEDHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475802705 567278426 /nfs/dbraw/zinc/27/84/26/567278426.db2.gz CTBAORBACZWNPT-UHFFFAOYSA-N -1 3 381.251 3.325 20 30 GGEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1c(C)noc1C ZINC000433864780 567278581 /nfs/dbraw/zinc/27/85/81/567278581.db2.gz ZCSZXZAZJCXKPG-AWEZNQCLSA-N -1 3 398.282 3.355 20 30 GGEDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433878729 567281062 /nfs/dbraw/zinc/28/10/62/567281062.db2.gz ISBLYYLFDBSHTP-VIFPVBQESA-N -1 3 385.205 3.330 20 30 GGEDHM C=C(C)[C@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1ccc(F)c(F)c1 ZINC000476214910 567305096 /nfs/dbraw/zinc/30/50/96/567305096.db2.gz CNRZOBDKUYWIFX-HNNXBMFYSA-N -1 3 387.429 3.409 20 30 GGEDHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CCO2 ZINC000476217782 567305785 /nfs/dbraw/zinc/30/57/85/567305785.db2.gz JSAKUOJOJVAXFE-HNNXBMFYSA-N -1 3 378.837 3.022 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000568189125 567311199 /nfs/dbraw/zinc/31/11/99/567311199.db2.gz MKQUOOMCBZCCDX-NEPJUHHUSA-N -1 3 388.225 3.343 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000568189125 567311202 /nfs/dbraw/zinc/31/12/02/567311202.db2.gz MKQUOOMCBZCCDX-NEPJUHHUSA-N -1 3 388.225 3.343 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000568189125 567311208 /nfs/dbraw/zinc/31/12/08/567311208.db2.gz MKQUOOMCBZCCDX-NEPJUHHUSA-N -1 3 388.225 3.343 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000476343610 567317203 /nfs/dbraw/zinc/31/72/03/567317203.db2.gz TYUHEDWRTYIAPE-AWEZNQCLSA-N -1 3 396.299 3.422 20 30 GGEDHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(Cl)c1 ZINC000476423820 567322647 /nfs/dbraw/zinc/32/26/47/567322647.db2.gz PWPDYQMZZBRCJR-UHFFFAOYSA-N -1 3 385.272 3.395 20 30 GGEDHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476501384 567329857 /nfs/dbraw/zinc/32/98/57/567329857.db2.gz YIDGUSBCFLPKAK-APPDUMDISA-N -1 3 382.844 3.405 20 30 GGEDHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000476502175 567329992 /nfs/dbraw/zinc/32/99/92/567329992.db2.gz DTZFIJBQQVVRGZ-CYBMUJFWSA-N -1 3 378.881 3.377 20 30 GGEDHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476501385 567330053 /nfs/dbraw/zinc/33/00/53/567330053.db2.gz YIDGUSBCFLPKAK-DIFFPNOSSA-N -1 3 382.844 3.405 20 30 GGEDHM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000476506757 567330103 /nfs/dbraw/zinc/33/01/03/567330103.db2.gz MKZZRCRSYOAKIZ-RDJZCZTQSA-N -1 3 376.865 3.445 20 30 GGEDHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000476514133 567331243 /nfs/dbraw/zinc/33/12/43/567331243.db2.gz WNHKZLGXWIYLQY-UHFFFAOYSA-N -1 3 379.869 3.262 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CC2)c1 ZINC000476523532 567332689 /nfs/dbraw/zinc/33/26/89/567332689.db2.gz JFRMAHBXHAFXTH-UHFFFAOYSA-N -1 3 382.819 3.500 20 30 GGEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000592382903 567334933 /nfs/dbraw/zinc/33/49/33/567334933.db2.gz USQUCZSTPXTBDM-LBPRGKRZSA-N -1 3 379.707 3.460 20 30 GGEDHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(Cl)cc1 ZINC000500927378 567354751 /nfs/dbraw/zinc/35/47/51/567354751.db2.gz YAJICYYFEOZVQB-QGZVFWFLSA-N -1 3 382.844 3.158 20 30 GGEDHM C=C(C)CS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000435430254 567362677 /nfs/dbraw/zinc/36/26/77/567362677.db2.gz ZRXKZBQUBVSQJV-JTQLQIEISA-N -1 3 386.271 3.056 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(F)c(Br)c2)s1 ZINC000435430804 567364528 /nfs/dbraw/zinc/36/45/28/567364528.db2.gz ABIQPCOXRSKUFA-UHFFFAOYSA-N -1 3 389.271 3.042 20 30 GGEDHM CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435436594 567365704 /nfs/dbraw/zinc/36/57/04/567365704.db2.gz GGZCGIZQRXAVGI-OAHLLOKOSA-N -1 3 385.898 3.194 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000435436114 567365966 /nfs/dbraw/zinc/36/59/66/567365966.db2.gz DDFHMRLORKVYOE-MRXNPFEDSA-N -1 3 395.937 3.389 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CCOCC2)s1 ZINC000435434876 567366207 /nfs/dbraw/zinc/36/62/07/567366207.db2.gz VFQWPGOBJSIIEF-UHFFFAOYSA-N -1 3 396.921 3.300 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CCOCC2)s1 ZINC000435436133 567366877 /nfs/dbraw/zinc/36/68/77/567366877.db2.gz DJTIPLLVDOZKTI-UHFFFAOYSA-N -1 3 396.921 3.300 20 30 GGEDHM CC1CCN([C@@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)c2cccs2)CC1 ZINC000435440748 567367770 /nfs/dbraw/zinc/36/77/70/567367770.db2.gz ZJNHROQCCVEPAF-HNNXBMFYSA-N -1 3 395.575 3.433 20 30 GGEDHM CC1CCN([C@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)c2cccs2)CC1 ZINC000435440749 567368087 /nfs/dbraw/zinc/36/80/87/567368087.db2.gz ZJNHROQCCVEPAF-OAHLLOKOSA-N -1 3 395.575 3.433 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2OCC(F)(F)F)s1 ZINC000435444297 567369847 /nfs/dbraw/zinc/36/98/47/567369847.db2.gz RUTDOJNZIXTAGU-UHFFFAOYSA-N -1 3 376.381 3.039 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(C(F)(F)F)cs1 ZINC000435447823 567370025 /nfs/dbraw/zinc/37/00/25/567370025.db2.gz RLHGTJLANKYAQS-UHFFFAOYSA-N -1 3 381.426 3.309 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Br)s1 ZINC000435442935 567370208 /nfs/dbraw/zinc/37/02/08/567370208.db2.gz NPFYCPRMJCQBNZ-ZETCQYMHSA-N -1 3 377.310 3.483 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000435587489 567377214 /nfs/dbraw/zinc/37/72/14/567377214.db2.gz HBSVQJPHPWNEED-YGRLFVJLSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000435587916 567377265 /nfs/dbraw/zinc/37/72/65/567377265.db2.gz JNEZCNBDKPLBFQ-MEBBXXQBSA-N -1 3 380.293 3.262 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000435604952 567379554 /nfs/dbraw/zinc/37/95/54/567379554.db2.gz GETNLUVIHMIYDJ-YGRLFVJLSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000435604946 567379804 /nfs/dbraw/zinc/37/98/04/567379804.db2.gz GETNLUVIHMIYDJ-HZMBPMFUSA-N -1 3 394.718 3.362 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2cc(Br)c3c(c2)OCCO3)nc(C)n1 ZINC000501319004 567380691 /nfs/dbraw/zinc/38/06/91/567380691.db2.gz HECXSZOQZFQCJX-GFCCVEGCSA-N -1 3 388.221 3.117 20 30 GGEDHM Cc1oc(C#N)cc1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000435679309 567383076 /nfs/dbraw/zinc/38/30/76/567383076.db2.gz XZZUMDDXIAJWCX-UHFFFAOYSA-N -1 3 386.209 3.114 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc(C(F)(F)F)ccn2)c(Cl)c1 ZINC000549523180 567395508 /nfs/dbraw/zinc/39/55/08/567395508.db2.gz RTIIFGDSJOMFRS-UHFFFAOYSA-N -1 3 389.786 3.146 20 30 GGEDHM N#C[C@]1([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)CCc2ccccc2C1 ZINC000618606554 567401903 /nfs/dbraw/zinc/40/19/03/567401903.db2.gz JGJFTVZBVMKKTH-SFHVURJKSA-N -1 3 378.856 3.350 20 30 GGEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000618715164 567409159 /nfs/dbraw/zinc/40/91/59/567409159.db2.gz ARPDMIBDHUZCRT-CQSZACIVSA-N -1 3 377.809 3.086 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cc(C(F)(F)F)ccn1 ZINC000549914445 567418432 /nfs/dbraw/zinc/41/84/32/567418432.db2.gz BMXPDXXBJLDLSR-UHFFFAOYSA-N -1 3 389.786 3.146 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000550434942 567447062 /nfs/dbraw/zinc/44/70/62/567447062.db2.gz BRDXFSREECXTBE-UHFFFAOYSA-N -1 3 397.319 3.391 20 30 GGEDHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619463058 567456016 /nfs/dbraw/zinc/45/60/16/567456016.db2.gz YBWWFZPJKXLMAX-HSZRJFAPSA-N -1 3 382.894 3.085 20 30 GGEDHM COc1ccc(Br)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619462484 567456369 /nfs/dbraw/zinc/45/63/69/567456369.db2.gz ZRQZGQPWZKCNRX-UHFFFAOYSA-N -1 3 381.251 3.325 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CN2CCCCC2)c2ccccc2)s1 ZINC000619548611 567465324 /nfs/dbraw/zinc/46/53/24/567465324.db2.gz IQKQJQXXFCHXKC-KRWDZBQOSA-N -1 3 375.519 3.125 20 30 GGEDHM N#Cc1c[nH]c(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)c1 ZINC000551072536 567477108 /nfs/dbraw/zinc/47/71/08/567477108.db2.gz WHTRZYLWZUQQNR-UHFFFAOYSA-N -1 3 382.181 3.151 20 30 GGEDHM N#Cc1c[nH]c(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)c1 ZINC000551072536 567477116 /nfs/dbraw/zinc/47/71/16/567477116.db2.gz WHTRZYLWZUQQNR-UHFFFAOYSA-N -1 3 382.181 3.151 20 30 GGEDHM N#Cc1c[nH]c(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1 ZINC000551072536 567477125 /nfs/dbraw/zinc/47/71/25/567477125.db2.gz WHTRZYLWZUQQNR-UHFFFAOYSA-N -1 3 382.181 3.151 20 30 GGEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000570344147 567477849 /nfs/dbraw/zinc/47/78/49/567477849.db2.gz SJAYQEVBCCHVSW-CQSZACIVSA-N -1 3 393.278 3.203 20 30 GGEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551125776 567481236 /nfs/dbraw/zinc/48/12/36/567481236.db2.gz NOIPTCXKHJHTDU-UHFFFAOYSA-N -1 3 390.877 3.209 20 30 GGEDHM CN(C)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000619798367 567481625 /nfs/dbraw/zinc/48/16/25/567481625.db2.gz ZGZOPNRGTVIBFC-INIZCTEOSA-N -1 3 398.315 3.446 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1Cc2ccccc2C1 ZINC000570420907 567483469 /nfs/dbraw/zinc/48/34/69/567483469.db2.gz WGMUWZSGKDEXCO-UHFFFAOYSA-N -1 3 391.290 3.014 20 30 GGEDHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000570420438 567483488 /nfs/dbraw/zinc/48/34/88/567483488.db2.gz CVNNVKUYWKVUCP-NSHDSACASA-N -1 3 383.267 3.213 20 30 GGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl ZINC000551171100 567484449 /nfs/dbraw/zinc/48/44/49/567484449.db2.gz BRXDXSVOSLVTKB-QHCPKHFHSA-N -1 3 382.894 3.199 20 30 GGEDHM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503450393 567485562 /nfs/dbraw/zinc/48/55/62/567485562.db2.gz FCRKRCBNPICETA-JTQLQIEISA-N -1 3 386.807 3.236 20 30 GGEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000503447402 567486217 /nfs/dbraw/zinc/48/62/17/567486217.db2.gz MIGBMWMXTALWFD-OAHLLOKOSA-N -1 3 384.885 3.002 20 30 GGEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000551201386 567486538 /nfs/dbraw/zinc/48/65/38/567486538.db2.gz CVNHAKGABYDZOJ-UHFFFAOYSA-N -1 3 383.256 3.167 20 30 GGEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000551199379 567486917 /nfs/dbraw/zinc/48/69/17/567486917.db2.gz AQTXWGHOZWOMJO-UHFFFAOYSA-N -1 3 383.256 3.167 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2)c(Cl)c1 ZINC000503500623 567490074 /nfs/dbraw/zinc/49/00/74/567490074.db2.gz BUXCEYDHMCYEKX-HNNXBMFYSA-N -1 3 375.881 3.159 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000594721370 567502902 /nfs/dbraw/zinc/50/29/02/567502902.db2.gz RVJBRDDKYYVYKK-ZDUSSCGKSA-N -1 3 389.315 3.454 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000594721603 567503297 /nfs/dbraw/zinc/50/32/97/567503297.db2.gz STQPDVQYNXBNRB-AWEZNQCLSA-N -1 3 389.315 3.454 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C#N)CCC ZINC000594720357 567503670 /nfs/dbraw/zinc/50/36/70/567503670.db2.gz KGYKWJZMRURYSZ-GFCCVEGCSA-N -1 3 375.288 3.208 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C#N)CCC ZINC000594720359 567503870 /nfs/dbraw/zinc/50/38/70/567503870.db2.gz KGYKWJZMRURYSZ-LBPRGKRZSA-N -1 3 375.288 3.208 20 30 GGEDHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503773130 567504723 /nfs/dbraw/zinc/50/47/23/567504723.db2.gz MTQCPUNWCNTIMH-DIFFPNOSSA-N -1 3 382.844 3.405 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000503798434 567506201 /nfs/dbraw/zinc/50/62/01/567506201.db2.gz JSUNVLSRYGWGAP-AWEZNQCLSA-N -1 3 396.299 3.422 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000594758767 567507543 /nfs/dbraw/zinc/50/75/43/567507543.db2.gz IVGLCYNRJJMVNM-FVQBIDKESA-N -1 3 376.503 3.317 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000594758768 567507787 /nfs/dbraw/zinc/50/77/87/567507787.db2.gz IVGLCYNRJJMVNM-IMJJTQAJSA-N -1 3 376.503 3.317 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000594761026 567509180 /nfs/dbraw/zinc/50/91/80/567509180.db2.gz WIJGYPQMRAINGM-MAZHCROVSA-N -1 3 376.503 3.173 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@]1(C)CCO[C@H]1C1CC1 ZINC000594774032 567510701 /nfs/dbraw/zinc/51/07/01/567510701.db2.gz WCENXNOOHGEFIG-FUHWJXTLSA-N -1 3 376.503 3.317 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3Cl)C2)s1 ZINC000594800823 567515119 /nfs/dbraw/zinc/51/51/19/567515119.db2.gz LOAVJRPAEJPLIO-LBPRGKRZSA-N -1 3 381.910 3.078 20 30 GGEDHM C=CCCSCC[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000594815357 567515912 /nfs/dbraw/zinc/51/59/12/567515912.db2.gz RHYPCFMGJKPDLE-UHFFFAOYSA-N -1 3 380.329 3.045 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1nc(-c2cccs2)c[nH]1 ZINC000439186756 567570243 /nfs/dbraw/zinc/57/02/43/567570243.db2.gz GTYQRALOMMHDMO-UHFFFAOYSA-N -1 3 378.866 3.142 20 30 GGEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000571544904 567570542 /nfs/dbraw/zinc/57/05/42/567570542.db2.gz DSPQUYVNSGZPJA-UHFFFAOYSA-N -1 3 388.917 3.364 20 30 GGEDHM C=CCOCCCC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000439245022 567574981 /nfs/dbraw/zinc/57/49/81/567574981.db2.gz JLQJZCZAKGEKJK-UHFFFAOYSA-N -1 3 383.221 3.295 20 30 GGEDHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000552635680 567599508 /nfs/dbraw/zinc/59/95/08/567599508.db2.gz MJFHNJYRBMHISW-GTNSWQLSSA-N -1 3 382.844 3.405 20 30 GGEDHM N#C[C@@H]1CN(Cc2cccc([O-])c2Br)CCN1Cc1ccccc1 ZINC000459291752 567613343 /nfs/dbraw/zinc/61/33/43/567613343.db2.gz INCIQNDDPJDULR-QGZVFWFLSA-N -1 3 386.293 3.365 20 30 GGEDHM N#C[C@H]1CN(Cc2cccc([O-])c2Br)C[C@]12C(=O)Nc1ccccc12 ZINC000459348555 567617064 /nfs/dbraw/zinc/61/70/64/567617064.db2.gz DPEIHLVKMWBLNA-DJJJIMSYSA-N -1 3 398.260 3.000 20 30 GGEDHM C=CCN(CCC#N)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000553101997 567627155 /nfs/dbraw/zinc/62/71/55/567627155.db2.gz SLUIPSDQWIVAPQ-UHFFFAOYSA-N -1 3 394.656 3.486 20 30 GGEDHM C=CCN(CCC#N)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000553101997 567627159 /nfs/dbraw/zinc/62/71/59/567627159.db2.gz SLUIPSDQWIVAPQ-UHFFFAOYSA-N -1 3 394.656 3.486 20 30 GGEDHM CC#CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000572398610 567637053 /nfs/dbraw/zinc/63/70/53/567637053.db2.gz SUFBTCDYXUJEGZ-UHFFFAOYSA-N -1 3 376.865 3.236 20 30 GGEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(F)c1 ZINC000553264124 567639527 /nfs/dbraw/zinc/63/95/27/567639527.db2.gz CLASWPLZJIYRSA-UHFFFAOYSA-N -1 3 388.251 3.395 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000480904649 567641381 /nfs/dbraw/zinc/64/13/81/567641381.db2.gz YCMLIAZHKHLBNA-UGSOOPFHSA-N -1 3 377.897 3.181 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H](c1ccccc1)N(C)C ZINC000480904647 567641650 /nfs/dbraw/zinc/64/16/50/567641650.db2.gz YCMLIAZHKHLBNA-FZKQIMNGSA-N -1 3 377.897 3.181 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1c(F)cccc1OC(F)F ZINC000480980535 567647925 /nfs/dbraw/zinc/64/79/25/567647925.db2.gz HLDIDIBMTSAWJG-UHFFFAOYSA-N -1 3 390.770 3.431 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)c1 ZINC000480989647 567649249 /nfs/dbraw/zinc/64/92/49/567649249.db2.gz PLLDQKJVVGRTOY-UHFFFAOYSA-N -1 3 390.770 3.431 20 30 GGEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000531367787 567655477 /nfs/dbraw/zinc/65/54/77/567655477.db2.gz LBNXUONQEMWHCK-VIFPVBQESA-N -1 3 386.296 3.011 20 30 GGEDHM CCO[C@H](CC[N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)C ZINC000553487753 567658136 /nfs/dbraw/zinc/65/81/36/567658136.db2.gz GMMRMAQHQKOBBP-CQSZACIVSA-N -1 3 389.315 3.050 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000553500868 567659342 /nfs/dbraw/zinc/65/93/42/567659342.db2.gz CZFDZPFSUPBSDQ-UHFFFAOYSA-N -1 3 395.253 3.427 20 30 GGEDHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000572795919 567665384 /nfs/dbraw/zinc/66/53/84/567665384.db2.gz RXUPVMWTASSHKV-QLJPJBMISA-N -1 3 393.262 3.121 20 30 GGEDHM C[C@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccc(C#N)c1 ZINC000507221766 567668750 /nfs/dbraw/zinc/66/87/50/567668750.db2.gz OAODANGFUVEXHX-LBPRGKRZSA-N -1 3 398.315 3.494 20 30 GGEDHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000572859963 567671265 /nfs/dbraw/zinc/67/12/65/567671265.db2.gz WDOZABCBFSPWRJ-SNVBAGLBSA-N -1 3 385.308 3.292 20 30 GGEDHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000481498731 567683181 /nfs/dbraw/zinc/68/31/81/567683181.db2.gz AYUVBMFMXFMHQY-LBPRGKRZSA-N -1 3 378.416 3.043 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000573036288 567683969 /nfs/dbraw/zinc/68/39/69/567683969.db2.gz ZORXSQPBUOYMGR-RDTXWAMCSA-N -1 3 376.865 3.268 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)CCCC1 ZINC000481499347 567683859 /nfs/dbraw/zinc/68/38/59/567683859.db2.gz MGZGYJIQBDUSEM-CYBMUJFWSA-N -1 3 377.293 3.030 20 30 GGEDHM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)cn1 ZINC000553830106 567689014 /nfs/dbraw/zinc/68/90/14/567689014.db2.gz MDOQAUXXFLAUBS-NSHDSACASA-N -1 3 397.298 3.138 20 30 GGEDHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000553911833 567699060 /nfs/dbraw/zinc/69/90/60/567699060.db2.gz SGGHSGHPIGOFNE-AWEZNQCLSA-N -1 3 378.881 3.485 20 30 GGEDHM N#C[C@@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCc2ccccc2C1 ZINC000461119098 567722234 /nfs/dbraw/zinc/72/22/34/567722234.db2.gz SUAHVNHYCNUWKX-OAHLLOKOSA-N -1 3 386.420 3.496 20 30 GGEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000443007896 567722862 /nfs/dbraw/zinc/72/28/62/567722862.db2.gz QSCYUJCIHRACKS-LLVKDONJSA-N -1 3 378.837 3.038 20 30 GGEDHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443012208 567723351 /nfs/dbraw/zinc/72/33/51/567723351.db2.gz GXQODAKYFQWXMY-UHFFFAOYSA-N -1 3 379.869 3.264 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000443021643 567724852 /nfs/dbraw/zinc/72/48/52/567724852.db2.gz OLNYQCRNGTYOHT-UHFFFAOYSA-N -1 3 399.255 3.115 20 30 GGEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000508072479 567725272 /nfs/dbraw/zinc/72/52/72/567725272.db2.gz GWNLWYWGTYFAHA-INIZCTEOSA-N -1 3 388.942 3.442 20 30 GGEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000443038379 567726344 /nfs/dbraw/zinc/72/63/44/567726344.db2.gz QBMYDGGRNRHPIY-HNNXBMFYSA-N -1 3 381.885 3.166 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCOCCc1ccccc1 ZINC000443027352 567726445 /nfs/dbraw/zinc/72/64/45/567726445.db2.gz RWUPJBZJZJFUTF-UHFFFAOYSA-N -1 3 378.881 3.139 20 30 GGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000508084903 567728142 /nfs/dbraw/zinc/72/81/42/567728142.db2.gz OSUZICYLDKJDQG-GFCCVEGCSA-N -1 3 397.747 3.416 20 30 GGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000508097911 567728870 /nfs/dbraw/zinc/72/88/70/567728870.db2.gz QTIHZASSDPPGDR-LLVKDONJSA-N -1 3 383.358 3.133 20 30 GGEDHM Cc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)ccc1C#N ZINC000508095826 567729163 /nfs/dbraw/zinc/72/91/63/567729163.db2.gz LRHSGEWQWXBEAZ-UHFFFAOYSA-N -1 3 386.658 3.478 20 30 GGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000508102396 567730820 /nfs/dbraw/zinc/73/08/20/567730820.db2.gz MCQSOPSVWWKFLC-GFCCVEGCSA-N -1 3 397.747 3.416 20 30 GGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000508104734 567730829 /nfs/dbraw/zinc/73/08/29/567730829.db2.gz UJLNEUHPVRHVPP-LBPRGKRZSA-N -1 3 397.747 3.416 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(F)cc1C(F)(F)F ZINC000443107752 567732517 /nfs/dbraw/zinc/73/25/17/567732517.db2.gz LFRWJTXSOAGYQH-UHFFFAOYSA-N -1 3 376.306 3.334 20 30 GGEDHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443115496 567733949 /nfs/dbraw/zinc/73/39/49/567733949.db2.gz YLBDCPRLPVRIMG-GTNSWQLSSA-N -1 3 382.844 3.405 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2ccccc2)CCOCC1 ZINC000532775630 567734329 /nfs/dbraw/zinc/73/43/29/567734329.db2.gz NHKCFIAGJPNLNQ-UHFFFAOYSA-N -1 3 376.865 3.196 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccccc1OCC1CC1 ZINC000443234383 567742286 /nfs/dbraw/zinc/74/22/86/567742286.db2.gz PNYWQPSGCWJYGF-UHFFFAOYSA-N -1 3 376.865 3.479 20 30 GGEDHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443242073 567742785 /nfs/dbraw/zinc/74/27/85/567742785.db2.gz BNRQOXNZNMKGFB-MSOLQXFVSA-N -1 3 376.865 3.229 20 30 GGEDHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443327678 567748640 /nfs/dbraw/zinc/74/86/40/567748640.db2.gz HGTOLFYQACDAMT-UHFFFAOYSA-N -1 3 386.901 3.390 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1c[nH]c2cc(F)ccc12 ZINC000443347002 567750427 /nfs/dbraw/zinc/75/04/27/567750427.db2.gz QHKFVCRYQOLNGA-UHFFFAOYSA-N -1 3 377.828 3.353 20 30 GGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000533090486 567750818 /nfs/dbraw/zinc/75/08/18/567750818.db2.gz LSCJFALOMMFRRF-MRVPVSSYSA-N -1 3 381.679 3.082 20 30 GGEDHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000443496344 567762097 /nfs/dbraw/zinc/76/20/97/567762097.db2.gz BDCLJGUVWFTAEF-DZGCQCFKSA-N -1 3 378.881 3.045 20 30 GGEDHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000443497988 567762636 /nfs/dbraw/zinc/76/26/36/567762636.db2.gz FFZAXCLMFPZINB-XJKSGUPXSA-N -1 3 378.881 3.045 20 30 GGEDHM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000443496358 567762729 /nfs/dbraw/zinc/76/27/29/567762729.db2.gz BDCLJGUVWFTAEF-ZFWWWQNUSA-N -1 3 378.881 3.045 20 30 GGEDHM Cc1c(C#N)cccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000555064061 567765165 /nfs/dbraw/zinc/76/51/65/567765165.db2.gz HADPAKCZAKUYIY-UHFFFAOYSA-N -1 3 398.271 3.091 20 30 GGEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C1CCCCC1 ZINC000533689824 567781584 /nfs/dbraw/zinc/78/15/84/567781584.db2.gz RBUWBYASYZONEI-AWEZNQCLSA-N -1 3 375.263 3.339 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)c(F)c2)c(Cl)c1 ZINC000555418802 567783538 /nfs/dbraw/zinc/78/35/38/567783538.db2.gz OTMHBCLUSUAGKT-UHFFFAOYSA-N -1 3 390.770 3.431 20 30 GGEDHM C=CC[C@@H]1N(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCC1(C)C ZINC000444646375 567810336 /nfs/dbraw/zinc/81/03/36/567810336.db2.gz SLUHUWGZKUEUJE-LBPRGKRZSA-N -1 3 390.958 3.273 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000032913554 570918892 /nfs/dbraw/zinc/91/88/92/570918892.db2.gz JNOIKICXWXXVCW-UHFFFAOYSA-N -1 3 398.488 3.046 20 30 GGEDHM CC[C@H](C#N)Oc1cc(CNc2ccc(-c3nn[n-]n3)cc2F)ccc1OC ZINC000736308364 598829988 /nfs/dbraw/zinc/82/99/88/598829988.db2.gz CMFMNRYIZAJQDC-CQSZACIVSA-N -1 3 382.399 3.307 20 30 GGEDHM C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000735431640 598850407 /nfs/dbraw/zinc/85/04/07/598850407.db2.gz HJJSRSBZUHZLIG-UHFFFAOYSA-N -1 3 392.423 3.127 20 30 GGEDHM C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000735431640 598850409 /nfs/dbraw/zinc/85/04/09/598850409.db2.gz HJJSRSBZUHZLIG-UHFFFAOYSA-N -1 3 392.423 3.127 20 30 GGEDHM C#CCCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000735375644 598851253 /nfs/dbraw/zinc/85/12/53/598851253.db2.gz NOIYREYYLRNNES-UHFFFAOYSA-N -1 3 396.838 3.244 20 30 GGEDHM C#CCCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000735375644 598851254 /nfs/dbraw/zinc/85/12/54/598851254.db2.gz NOIYREYYLRNNES-UHFFFAOYSA-N -1 3 396.838 3.244 20 30 GGEDHM Clc1ccc(Br)cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822574792 607252630 /nfs/dbraw/zinc/25/26/30/607252630.db2.gz ZIRPUAFZOOYYBW-UHFFFAOYSA-N -1 3 391.660 3.406 20 30 GGEDHM Clc1ccc(Br)cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822574792 607252631 /nfs/dbraw/zinc/25/26/31/607252631.db2.gz ZIRPUAFZOOYYBW-UHFFFAOYSA-N -1 3 391.660 3.406 20 30 GGEDHM Fc1ccc2[nH]c3c(c2c1)C(=NNCc1ccc(-c2nnn[n-]2)cc1)CCC3 ZINC000822782722 607252717 /nfs/dbraw/zinc/25/27/17/607252717.db2.gz DDEHIHOULHJPJR-UHFFFAOYSA-N -1 3 375.411 3.317 20 30 GGEDHM Fc1ccc2[nH]c3c(c2c1)C(=NNCc1ccc(-c2nn[n-]n2)cc1)CCC3 ZINC000822782722 607252718 /nfs/dbraw/zinc/25/27/18/607252718.db2.gz DDEHIHOULHJPJR-UHFFFAOYSA-N -1 3 375.411 3.317 20 30 GGEDHM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737464655 598913666 /nfs/dbraw/zinc/91/36/66/598913666.db2.gz SWJLZEZJQPOWJR-UHFFFAOYSA-N -1 3 393.457 3.484 20 30 GGEDHM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737464655 598913669 /nfs/dbraw/zinc/91/36/69/598913669.db2.gz SWJLZEZJQPOWJR-UHFFFAOYSA-N -1 3 393.457 3.484 20 30 GGEDHM N#Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cc1-c1nnn[n-]1 ZINC000737716569 598917570 /nfs/dbraw/zinc/91/75/70/598917570.db2.gz RXBIMXIYBSYALN-UHFFFAOYSA-N -1 3 391.778 3.299 20 30 GGEDHM N#Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cc1-c1nn[n-]n1 ZINC000737716569 598917572 /nfs/dbraw/zinc/91/75/72/598917572.db2.gz RXBIMXIYBSYALN-UHFFFAOYSA-N -1 3 391.778 3.299 20 30 GGEDHM CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735734615 598917792 /nfs/dbraw/zinc/91/77/92/598917792.db2.gz HXHJCNVPHUVDGB-QGZVFWFLSA-N -1 3 378.461 3.494 20 30 GGEDHM CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735734615 598917794 /nfs/dbraw/zinc/91/77/94/598917794.db2.gz HXHJCNVPHUVDGB-QGZVFWFLSA-N -1 3 378.461 3.494 20 30 GGEDHM Cc1cc(OCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000737278529 598918428 /nfs/dbraw/zinc/91/84/28/598918428.db2.gz AOVSDGBYUDRTDR-UHFFFAOYSA-N -1 3 396.838 3.498 20 30 GGEDHM Cc1cc(OCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000737278529 598918429 /nfs/dbraw/zinc/91/84/29/598918429.db2.gz AOVSDGBYUDRTDR-UHFFFAOYSA-N -1 3 396.838 3.498 20 30 GGEDHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737343932 598921353 /nfs/dbraw/zinc/92/13/53/598921353.db2.gz YKTYMXMSVXEZGD-LLVKDONJSA-N -1 3 382.811 3.106 20 30 GGEDHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737343932 598921355 /nfs/dbraw/zinc/92/13/55/598921355.db2.gz YKTYMXMSVXEZGD-LLVKDONJSA-N -1 3 382.811 3.106 20 30 GGEDHM N#Cc1cc(NC(=O)c2c3c(nc4ccccc42)CCC3)ccc1-c1nnn[n-]1 ZINC000737708532 598921466 /nfs/dbraw/zinc/92/14/66/598921466.db2.gz GUUOSPVNJXFJIC-UHFFFAOYSA-N -1 3 381.399 3.028 20 30 GGEDHM N#Cc1cc(NC(=O)c2c3c(nc4ccccc42)CCC3)ccc1-c1nn[n-]n1 ZINC000737708532 598921467 /nfs/dbraw/zinc/92/14/67/598921467.db2.gz GUUOSPVNJXFJIC-UHFFFAOYSA-N -1 3 381.399 3.028 20 30 GGEDHM N#Cc1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)ccc1-c1nnn[n-]1 ZINC000737705611 598925907 /nfs/dbraw/zinc/92/59/07/598925907.db2.gz QMJYRTISRDLQJA-UHFFFAOYSA-N -1 3 398.348 3.427 20 30 GGEDHM N#Cc1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)ccc1-c1nn[n-]n1 ZINC000737705611 598925909 /nfs/dbraw/zinc/92/59/09/598925909.db2.gz QMJYRTISRDLQJA-UHFFFAOYSA-N -1 3 398.348 3.427 20 30 GGEDHM N#Cc1cc(NC(=O)c2cc(Cl)cc3cccnc32)ccc1-c1nnn[n-]1 ZINC000737708283 598928796 /nfs/dbraw/zinc/92/87/96/598928796.db2.gz DVMNRFSZHQEFHV-UHFFFAOYSA-N -1 3 375.779 3.192 20 30 GGEDHM N#Cc1cc(NC(=O)c2cc(Cl)cc3cccnc32)ccc1-c1nn[n-]n1 ZINC000737708283 598928798 /nfs/dbraw/zinc/92/87/98/598928798.db2.gz DVMNRFSZHQEFHV-UHFFFAOYSA-N -1 3 375.779 3.192 20 30 GGEDHM N#Cc1nnc2ccccc2c1NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737729701 598957063 /nfs/dbraw/zinc/95/70/63/598957063.db2.gz BUZJKPCMZUAJOT-UHFFFAOYSA-N -1 3 388.460 3.027 20 30 GGEDHM N#Cc1nnc2ccccc2c1NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737729701 598957064 /nfs/dbraw/zinc/95/70/64/598957064.db2.gz BUZJKPCMZUAJOT-UHFFFAOYSA-N -1 3 388.460 3.027 20 30 GGEDHM COCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000821679950 607254024 /nfs/dbraw/zinc/25/40/24/607254024.db2.gz TZLDNSPBVXHXOE-UHFFFAOYSA-N -1 3 390.369 3.026 20 30 GGEDHM COCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000821679950 607254025 /nfs/dbraw/zinc/25/40/25/607254025.db2.gz TZLDNSPBVXHXOE-UHFFFAOYSA-N -1 3 390.369 3.026 20 30 GGEDHM Cc1nn(-c2ccccc2)c(Cl)c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822486365 607254558 /nfs/dbraw/zinc/25/45/58/607254558.db2.gz HRFOJDNREHVPIN-UHFFFAOYSA-N -1 3 392.854 3.138 20 30 GGEDHM Cc1nn(-c2ccccc2)c(Cl)c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822486365 607254559 /nfs/dbraw/zinc/25/45/59/607254559.db2.gz HRFOJDNREHVPIN-UHFFFAOYSA-N -1 3 392.854 3.138 20 30 GGEDHM CCN(C[C@H](C)C#N)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736512916 599023164 /nfs/dbraw/zinc/02/31/64/599023164.db2.gz MJLOYFMYJTTZBF-OAHLLOKOSA-N -1 3 390.447 3.067 20 30 GGEDHM CCN(C[C@@H](C)C#N)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736514259 599023628 /nfs/dbraw/zinc/02/36/28/599023628.db2.gz WZTATFWFPQWNQZ-HNNXBMFYSA-N -1 3 390.447 3.067 20 30 GGEDHM CCN(C[C@@H](C)C#N)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736514259 599023630 /nfs/dbraw/zinc/02/36/30/599023630.db2.gz WZTATFWFPQWNQZ-HNNXBMFYSA-N -1 3 390.447 3.067 20 30 GGEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(OC)c1OC ZINC000821786284 599113668 /nfs/dbraw/zinc/11/36/68/599113668.db2.gz CQJBCFAGCQCJKD-ACCUITESSA-N -1 3 392.415 3.105 20 30 GGEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(OC)c1OC ZINC000821786284 599113670 /nfs/dbraw/zinc/11/36/70/599113670.db2.gz CQJBCFAGCQCJKD-ACCUITESSA-N -1 3 392.415 3.105 20 30 GGEDHM O=C1C(=Cc2nccn2Cc2ccccc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504120 599116706 /nfs/dbraw/zinc/11/67/06/599116706.db2.gz MNEAGUPTVXSNTF-GHRIWEEISA-N -1 3 382.427 3.324 20 30 GGEDHM O=C1C(=Cc2nccn2Cc2ccccc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504120 599116710 /nfs/dbraw/zinc/11/67/10/599116710.db2.gz MNEAGUPTVXSNTF-GHRIWEEISA-N -1 3 382.427 3.324 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000819743785 599145045 /nfs/dbraw/zinc/14/50/45/599145045.db2.gz PYFYZEIJMJXQMZ-LJQANCHMSA-N -1 3 391.500 3.412 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000819743785 599145048 /nfs/dbraw/zinc/14/50/48/599145048.db2.gz PYFYZEIJMJXQMZ-LJQANCHMSA-N -1 3 391.500 3.412 20 30 GGEDHM C=CC[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccncc1 ZINC000735409852 599146934 /nfs/dbraw/zinc/14/69/34/599146934.db2.gz MSQUSMFXUMNLON-IBGZPJMESA-N -1 3 389.463 3.253 20 30 GGEDHM C=CC[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccncc1 ZINC000735409852 599146938 /nfs/dbraw/zinc/14/69/38/599146938.db2.gz MSQUSMFXUMNLON-IBGZPJMESA-N -1 3 389.463 3.253 20 30 GGEDHM COc1ccccc1C=CC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737149510 599157262 /nfs/dbraw/zinc/15/72/62/599157262.db2.gz XCPCKKKSWNGWFC-XFXZXTDPSA-N -1 3 386.415 3.266 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(N(C)C)cc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202208 599157366 /nfs/dbraw/zinc/15/73/66/599157366.db2.gz LKWBEUFKSBNLFF-AWNIVKPZSA-N -1 3 399.458 3.323 20 30 GGEDHM CC(C)c1ccc(C(=O)[C@H](C)Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC000736193597 599160927 /nfs/dbraw/zinc/16/09/27/599160927.db2.gz STVJOHRXKREBJZ-NSHDSACASA-N -1 3 393.476 3.202 20 30 GGEDHM CC(C)c1ccc(C(=O)[C@H](C)Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC000736193597 599160929 /nfs/dbraw/zinc/16/09/29/599160929.db2.gz STVJOHRXKREBJZ-NSHDSACASA-N -1 3 393.476 3.202 20 30 GGEDHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736237308 599190625 /nfs/dbraw/zinc/19/06/25/599190625.db2.gz PDLQWWAOPXEWEC-MZMPZRCHSA-N -1 3 382.468 3.154 20 30 GGEDHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736237308 599190627 /nfs/dbraw/zinc/19/06/27/599190627.db2.gz PDLQWWAOPXEWEC-MZMPZRCHSA-N -1 3 382.468 3.154 20 30 GGEDHM C#CCCCNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000819693245 599192068 /nfs/dbraw/zinc/19/20/68/599192068.db2.gz PIDGHFZLCXSCGB-UHFFFAOYSA-N -1 3 377.473 3.302 20 30 GGEDHM C#CCCCNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000819693245 599192070 /nfs/dbraw/zinc/19/20/70/599192070.db2.gz PIDGHFZLCXSCGB-UHFFFAOYSA-N -1 3 377.473 3.302 20 30 GGEDHM C#CCN(CC)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735374652 599193455 /nfs/dbraw/zinc/19/34/55/599193455.db2.gz LBSXNRLLZQHROH-UHFFFAOYSA-N -1 3 381.823 3.408 20 30 GGEDHM C#CCN(CC)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735374652 599193458 /nfs/dbraw/zinc/19/34/58/599193458.db2.gz LBSXNRLLZQHROH-UHFFFAOYSA-N -1 3 381.823 3.408 20 30 GGEDHM N#Cc1cc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)ccc1-c1nnn[n-]1 ZINC000737708212 599197814 /nfs/dbraw/zinc/19/78/14/599197814.db2.gz DKOLSODFHDJIOK-UHFFFAOYSA-N -1 3 377.795 3.054 20 30 GGEDHM N#Cc1cc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)ccc1-c1nn[n-]n1 ZINC000737708212 599197816 /nfs/dbraw/zinc/19/78/16/599197816.db2.gz DKOLSODFHDJIOK-UHFFFAOYSA-N -1 3 377.795 3.054 20 30 GGEDHM Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737464793 599199764 /nfs/dbraw/zinc/19/97/64/599199764.db2.gz YCOYGNLEKQJCKO-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737464793 599199766 /nfs/dbraw/zinc/19/97/66/599199766.db2.gz YCOYGNLEKQJCKO-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM C[C@H]1CCC[C@](C#N)(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736244725 599201707 /nfs/dbraw/zinc/20/17/07/599201707.db2.gz MKWBLJNGFKCDDK-YWZLYKJASA-N -1 3 382.468 3.004 20 30 GGEDHM C[C@H]1CCC[C@](C#N)(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736244725 599201709 /nfs/dbraw/zinc/20/17/09/599201709.db2.gz MKWBLJNGFKCDDK-YWZLYKJASA-N -1 3 382.468 3.004 20 30 GGEDHM N#C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)C1CC1 ZINC000737674265 599203225 /nfs/dbraw/zinc/20/32/25/599203225.db2.gz HVOZAIWGAVCTPE-MRXNPFEDSA-N -1 3 394.822 3.344 20 30 GGEDHM N#C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)C1CC1 ZINC000737674265 599203226 /nfs/dbraw/zinc/20/32/26/599203226.db2.gz HVOZAIWGAVCTPE-MRXNPFEDSA-N -1 3 394.822 3.344 20 30 GGEDHM C=CCOc1ccc(OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819759027 599203368 /nfs/dbraw/zinc/20/33/68/599203368.db2.gz LQBXTOKPCHPYPV-IBGZPJMESA-N -1 3 391.431 3.006 20 30 GGEDHM Cc1c(NC(=O)CCCCOc2cccc(C#N)c2)cccc1-c1nnn[n-]1 ZINC000822066646 607268925 /nfs/dbraw/zinc/26/89/25/607268925.db2.gz GPQBESCNXVIUHL-UHFFFAOYSA-N -1 3 376.420 3.235 20 30 GGEDHM Cc1c(NC(=O)CCCCOc2cccc(C#N)c2)cccc1-c1nn[n-]n1 ZINC000822066646 607268926 /nfs/dbraw/zinc/26/89/26/607268926.db2.gz GPQBESCNXVIUHL-UHFFFAOYSA-N -1 3 376.420 3.235 20 30 GGEDHM COCC(=NNc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000736966731 599285584 /nfs/dbraw/zinc/28/55/84/599285584.db2.gz ZAAOMVUWTSFHDN-UHFFFAOYSA-N -1 3 376.342 3.348 20 30 GGEDHM COCC(=NNc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000736966731 599285586 /nfs/dbraw/zinc/28/55/86/599285586.db2.gz ZAAOMVUWTSFHDN-UHFFFAOYSA-N -1 3 376.342 3.348 20 30 GGEDHM C[C@H](C#N)COC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000819854913 607323121 /nfs/dbraw/zinc/32/31/21/607323121.db2.gz DBOVQDAVVSNABY-CYBMUJFWSA-N -1 3 379.445 3.475 20 30 GGEDHM C[C@H](C#N)COC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000819854913 607323122 /nfs/dbraw/zinc/32/31/22/607323122.db2.gz DBOVQDAVVSNABY-CYBMUJFWSA-N -1 3 379.445 3.475 20 30 GGEDHM C=CCNc1ncc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)s1 ZINC000819751602 607323650 /nfs/dbraw/zinc/32/36/50/607323650.db2.gz XOGWGPBORRFWKG-UHFFFAOYSA-N -1 3 397.508 3.220 20 30 GGEDHM C=CCNc1ncc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)s1 ZINC000819751602 607323651 /nfs/dbraw/zinc/32/36/51/607323651.db2.gz XOGWGPBORRFWKG-UHFFFAOYSA-N -1 3 397.508 3.220 20 30 GGEDHM C=C(C)CN(CC)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735399252 598263203 /nfs/dbraw/zinc/26/32/03/598263203.db2.gz RAAIRPFHTKDKNE-UHFFFAOYSA-N -1 3 379.424 3.484 20 30 GGEDHM C=C(C)CN(CC)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735399252 598263205 /nfs/dbraw/zinc/26/32/05/598263205.db2.gz RAAIRPFHTKDKNE-UHFFFAOYSA-N -1 3 379.424 3.484 20 30 GGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(O)ccc1O ZINC000735450845 598313292 /nfs/dbraw/zinc/31/32/92/598313292.db2.gz GAHBAGDMJLHTFO-UHFFFAOYSA-N -1 3 378.314 3.133 20 30 GGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(O)ccc1O ZINC000735450845 598313294 /nfs/dbraw/zinc/31/32/94/598313294.db2.gz GAHBAGDMJLHTFO-UHFFFAOYSA-N -1 3 378.314 3.133 20 30 GGEDHM COc1cccc(O)c1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737141598 598314338 /nfs/dbraw/zinc/31/43/38/598314338.db2.gz OLYGRICOMWAICJ-UHFFFAOYSA-N -1 3 378.314 3.046 20 30 GGEDHM COc1cccc(O)c1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737141598 598314340 /nfs/dbraw/zinc/31/43/40/598314340.db2.gz OLYGRICOMWAICJ-UHFFFAOYSA-N -1 3 378.314 3.046 20 30 GGEDHM Cc1nc2ccccn2c1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737490216 598314816 /nfs/dbraw/zinc/31/48/16/598314816.db2.gz ROYZAPNCPPFGKK-UHFFFAOYSA-N -1 3 386.341 3.288 20 30 GGEDHM Cc1nc2ccccn2c1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737490216 598314818 /nfs/dbraw/zinc/31/48/18/598314818.db2.gz ROYZAPNCPPFGKK-UHFFFAOYSA-N -1 3 386.341 3.288 20 30 GGEDHM FC(F)(F)c1cc(NN=Cc2ccc3c(c2)OCCO3)ccc1-c1nnn[n-]1 ZINC000737633849 598316195 /nfs/dbraw/zinc/31/61/95/598316195.db2.gz WZBFFRUCHBOPHJ-UHFFFAOYSA-N -1 3 390.325 3.103 20 30 GGEDHM FC(F)(F)c1cc(NN=Cc2ccc3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC000737633849 598316198 /nfs/dbraw/zinc/31/61/98/598316198.db2.gz WZBFFRUCHBOPHJ-UHFFFAOYSA-N -1 3 390.325 3.103 20 30 GGEDHM CC(C)C[C@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735757096 598332634 /nfs/dbraw/zinc/33/26/34/598332634.db2.gz SXQRQIRSKCEROX-QGZVFWFLSA-N -1 3 390.447 3.114 20 30 GGEDHM CC(C)C[C@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735757096 598332636 /nfs/dbraw/zinc/33/26/36/598332636.db2.gz SXQRQIRSKCEROX-QGZVFWFLSA-N -1 3 390.447 3.114 20 30 GGEDHM C#CCOc1ccc(NC(=O)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735380196 598513759 /nfs/dbraw/zinc/51/37/59/598513759.db2.gz DWURSNUANBEKEA-UHFFFAOYSA-N -1 3 390.447 3.323 20 30 GGEDHM C#CCOc1ccc(NC(=O)N(CCC)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380196 598513761 /nfs/dbraw/zinc/51/37/61/598513761.db2.gz DWURSNUANBEKEA-UHFFFAOYSA-N -1 3 390.447 3.323 20 30 GGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735647926 598535700 /nfs/dbraw/zinc/53/57/00/598535700.db2.gz HRLLQKQMNKDVFG-IBGZPJMESA-N -1 3 388.475 3.478 20 30 GGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735647926 598535703 /nfs/dbraw/zinc/53/57/03/598535703.db2.gz HRLLQKQMNKDVFG-IBGZPJMESA-N -1 3 388.475 3.478 20 30 GGEDHM N#Cc1ccc(OCc2ccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000737720922 598538214 /nfs/dbraw/zinc/53/82/14/598538214.db2.gz BTEUHIJSBCFHDC-UHFFFAOYSA-N -1 3 387.355 3.130 20 30 GGEDHM N#Cc1ccc(OCc2ccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000737720922 598538216 /nfs/dbraw/zinc/53/82/16/598538216.db2.gz BTEUHIJSBCFHDC-UHFFFAOYSA-N -1 3 387.355 3.130 20 30 GGEDHM Cn1cc(C(=O)C=Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)cn1 ZINC000737603401 598547147 /nfs/dbraw/zinc/54/71/47/598547147.db2.gz PVGGLBHLYPZCTR-MDZDMXLPSA-N -1 3 386.415 3.075 20 30 GGEDHM Cn1cc(C(=O)C=Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)cn1 ZINC000737603401 598547149 /nfs/dbraw/zinc/54/71/49/598547149.db2.gz PVGGLBHLYPZCTR-MDZDMXLPSA-N -1 3 386.415 3.075 20 30 GGEDHM CN1c2ccccc2C(C)(C)C1=CC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000736843809 598551595 /nfs/dbraw/zinc/55/15/95/598551595.db2.gz PGNFAZFXQDRYGD-VXLYETTFSA-N -1 3 393.422 3.265 20 30 GGEDHM CN1c2ccccc2C(C)(C)C1=CC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000736843809 598551596 /nfs/dbraw/zinc/55/15/96/598551596.db2.gz PGNFAZFXQDRYGD-VXLYETTFSA-N -1 3 393.422 3.265 20 30 GGEDHM Cc1cc(C(=O)Nc2cccc(C#N)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238765 598611064 /nfs/dbraw/zinc/61/10/64/598611064.db2.gz SGEGLHBUVXMFRF-UHFFFAOYSA-N -1 3 383.415 3.398 20 30 GGEDHM Cc1c(C(=O)C=Cc2c(Cl)nc3ccccn32)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201259 598638893 /nfs/dbraw/zinc/63/88/93/598638893.db2.gz BEXGEIQZFFWMGE-BQYQJAHWSA-N -1 3 393.838 3.120 20 30 GGEDHM Cc1c(C(=O)C=Cc2c(Cl)nc3ccccn32)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201259 598638895 /nfs/dbraw/zinc/63/88/95/598638895.db2.gz BEXGEIQZFFWMGE-BQYQJAHWSA-N -1 3 393.838 3.120 20 30 GGEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c(Cl)c1 ZINC000737082553 598639089 /nfs/dbraw/zinc/63/90/89/598639089.db2.gz XFDXWOOHCNBPHT-SOFGYWHQSA-N -1 3 383.839 3.481 20 30 GGEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c(Cl)c1 ZINC000737082553 598639091 /nfs/dbraw/zinc/63/90/91/598639091.db2.gz XFDXWOOHCNBPHT-SOFGYWHQSA-N -1 3 383.839 3.481 20 30 GGEDHM Cc1c(C(=O)C=CC=Cc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202895 598640985 /nfs/dbraw/zinc/64/09/85/598640985.db2.gz PTPZQEHFDNUHSS-NVTNGAKFSA-N -1 3 390.403 3.283 20 30 GGEDHM Cc1c(C(=O)C=CC=Cc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202895 598640987 /nfs/dbraw/zinc/64/09/87/598640987.db2.gz PTPZQEHFDNUHSS-NVTNGAKFSA-N -1 3 390.403 3.283 20 30 GGEDHM C=CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1ccco1 ZINC000735450169 598643687 /nfs/dbraw/zinc/64/36/87/598643687.db2.gz WPOJZVREJWIUOK-UHFFFAOYSA-N -1 3 383.412 3.336 20 30 GGEDHM C=CCn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1ccco1 ZINC000735450169 598643688 /nfs/dbraw/zinc/64/36/88/598643688.db2.gz WPOJZVREJWIUOK-UHFFFAOYSA-N -1 3 383.412 3.336 20 30 GGEDHM N#Cc1cccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737730195 598644748 /nfs/dbraw/zinc/64/47/48/598644748.db2.gz HGXDCDXLSSZSKT-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM N#Cc1cccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737730195 598644751 /nfs/dbraw/zinc/64/47/51/598644751.db2.gz HGXDCDXLSSZSKT-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM N#Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000737719000 598644947 /nfs/dbraw/zinc/64/49/47/598644947.db2.gz OFTYSQRODFBSMJ-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM N#Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000737719000 598644949 /nfs/dbraw/zinc/64/49/49/598644949.db2.gz OFTYSQRODFBSMJ-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736097652 598649943 /nfs/dbraw/zinc/64/99/43/598649943.db2.gz CMVMQCHXEPVHME-OAHLLOKOSA-N -1 3 390.447 3.165 20 30 GGEDHM C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736097652 598649944 /nfs/dbraw/zinc/64/99/44/598649944.db2.gz CMVMQCHXEPVHME-OAHLLOKOSA-N -1 3 390.447 3.165 20 30 GGEDHM Fc1ccc(CON=Cc2ccc(Br)cc2)c(-c2nnn[n-]2)c1 ZINC000737651485 598674871 /nfs/dbraw/zinc/67/48/71/598674871.db2.gz XGDNMZVRYCPQRE-UHFFFAOYSA-N -1 3 376.189 3.319 20 30 GGEDHM Fc1ccc(CON=Cc2ccc(Br)cc2)c(-c2nn[n-]n2)c1 ZINC000737651485 598674873 /nfs/dbraw/zinc/67/48/73/598674873.db2.gz XGDNMZVRYCPQRE-UHFFFAOYSA-N -1 3 376.189 3.319 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)cn1 ZINC000735390385 598735675 /nfs/dbraw/zinc/73/56/75/598735675.db2.gz YVESABVUMYTCBI-UHFFFAOYSA-N -1 3 378.461 3.216 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)cn1 ZINC000735390385 598735676 /nfs/dbraw/zinc/73/56/76/598735676.db2.gz YVESABVUMYTCBI-UHFFFAOYSA-N -1 3 378.461 3.216 20 30 GGEDHM C=CCN(CC(=O)OCC)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000735416695 598760236 /nfs/dbraw/zinc/76/02/36/598760236.db2.gz OWVLNHVJVPYFCJ-UHFFFAOYSA-N -1 3 377.448 3.085 20 30 GGEDHM C=CCN(CC(=O)OCC)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000735416695 598760237 /nfs/dbraw/zinc/76/02/37/598760237.db2.gz OWVLNHVJVPYFCJ-UHFFFAOYSA-N -1 3 377.448 3.085 20 30 GGEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819845275 599296543 /nfs/dbraw/zinc/29/65/43/599296543.db2.gz SULXISXNMXCLGO-GFCCVEGCSA-N -1 3 395.398 3.421 20 30 GGEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819845275 599296545 /nfs/dbraw/zinc/29/65/45/599296545.db2.gz SULXISXNMXCLGO-GFCCVEGCSA-N -1 3 395.398 3.421 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000819745732 599328830 /nfs/dbraw/zinc/32/88/30/599328830.db2.gz QLPPBJBMCSJTMG-OXQOHEQNSA-N -1 3 388.475 3.032 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000819745732 599328833 /nfs/dbraw/zinc/32/88/33/599328833.db2.gz QLPPBJBMCSJTMG-OXQOHEQNSA-N -1 3 388.475 3.032 20 30 GGEDHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000820555056 599347082 /nfs/dbraw/zinc/34/70/82/599347082.db2.gz FQAMIQZOGBUQDD-SNVBAGLBSA-N -1 3 396.501 3.408 20 30 GGEDHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000820555056 599347085 /nfs/dbraw/zinc/34/70/85/599347085.db2.gz FQAMIQZOGBUQDD-SNVBAGLBSA-N -1 3 396.501 3.408 20 30 GGEDHM COc1cccc2cc(C(=O)C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)oc21 ZINC000737143001 599460821 /nfs/dbraw/zinc/46/08/21/599460821.db2.gz OGTUJRPLOVRMBO-SREVYHEPSA-N -1 3 386.371 3.165 20 30 GGEDHM COc1cccc2cc(C(=O)C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)oc21 ZINC000737143001 599460824 /nfs/dbraw/zinc/46/08/24/599460824.db2.gz OGTUJRPLOVRMBO-SREVYHEPSA-N -1 3 386.371 3.165 20 30 GGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc(C(F)(F)F)c1 ZINC000737809394 599461689 /nfs/dbraw/zinc/46/16/89/599461689.db2.gz VXAXKIUICIUZAR-WAYWQWQTSA-N -1 3 384.321 3.429 20 30 GGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cccc(C(F)(F)F)c1 ZINC000737809394 599461691 /nfs/dbraw/zinc/46/16/91/599461691.db2.gz VXAXKIUICIUZAR-WAYWQWQTSA-N -1 3 384.321 3.429 20 30 GGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc(OC(F)F)c1 ZINC000737808436 599461820 /nfs/dbraw/zinc/46/18/20/599461820.db2.gz TXLQJNIYQPEKQX-AATRIKPKSA-N -1 3 382.330 3.012 20 30 GGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cccc(OC(F)F)c1 ZINC000737808436 599461823 /nfs/dbraw/zinc/46/18/23/599461823.db2.gz TXLQJNIYQPEKQX-AATRIKPKSA-N -1 3 382.330 3.012 20 30 GGEDHM C=CCN(CCc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819743711 599484781 /nfs/dbraw/zinc/48/47/81/599484781.db2.gz OWBNCFAQUWNPAW-MRXNPFEDSA-N -1 3 376.464 3.368 20 30 GGEDHM C=CCN(CCc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819743711 599484784 /nfs/dbraw/zinc/48/47/84/599484784.db2.gz OWBNCFAQUWNPAW-MRXNPFEDSA-N -1 3 376.464 3.368 20 30 GGEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340002 599680895 /nfs/dbraw/zinc/68/08/95/599680895.db2.gz IHRDKPYNSHNCCH-HNNXBMFYSA-N -1 3 389.463 3.420 20 30 GGEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340002 599680896 /nfs/dbraw/zinc/68/08/96/599680896.db2.gz IHRDKPYNSHNCCH-HNNXBMFYSA-N -1 3 389.463 3.420 20 30 GGEDHM N#Cc1cccc(C2(NC(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)c1 ZINC000826386765 607392077 /nfs/dbraw/zinc/39/20/77/607392077.db2.gz RYKVRNGMPHMJNK-UHFFFAOYSA-N -1 3 379.811 3.203 20 30 GGEDHM N#Cc1cccc(C2(NC(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)c1 ZINC000826386765 607392079 /nfs/dbraw/zinc/39/20/79/607392079.db2.gz RYKVRNGMPHMJNK-UHFFFAOYSA-N -1 3 379.811 3.203 20 30 GGEDHM CC(C)Oc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000820164369 607397201 /nfs/dbraw/zinc/39/72/01/607397201.db2.gz JKYXIEBOHDXABO-UHFFFAOYSA-N -1 3 394.460 3.256 20 30 GGEDHM CC(C)Oc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000820164369 607397203 /nfs/dbraw/zinc/39/72/03/607397203.db2.gz JKYXIEBOHDXABO-UHFFFAOYSA-N -1 3 394.460 3.256 20 30 GGEDHM CCN1CCCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC000737116501 599838074 /nfs/dbraw/zinc/83/80/74/599838074.db2.gz XHXBIBCERLIUAQ-UHFFFAOYSA-N -1 3 391.471 3.344 20 30 GGEDHM N#CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000739086601 599928633 /nfs/dbraw/zinc/92/86/33/599928633.db2.gz BEJDQHPCWDMAEO-MRXNPFEDSA-N -1 3 375.222 3.267 20 30 GGEDHM C=CCN1CCC(NC(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC000736107493 600115531 /nfs/dbraw/zinc/11/55/31/600115531.db2.gz XHRJUHXFPGDUPQ-UHFFFAOYSA-N -1 3 377.510 3.166 20 30 GGEDHM CC(C)Oc1ccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000820165907 607432697 /nfs/dbraw/zinc/43/26/97/607432697.db2.gz RPHAVBMMTQKJBI-UHFFFAOYSA-N -1 3 391.435 3.189 20 30 GGEDHM CC(C)Oc1ccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000820165907 607432698 /nfs/dbraw/zinc/43/26/98/607432698.db2.gz RPHAVBMMTQKJBI-UHFFFAOYSA-N -1 3 391.435 3.189 20 30 GGEDHM CC(C)Oc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1-c1nnn[n-]1 ZINC000820165886 607434764 /nfs/dbraw/zinc/43/47/64/607434764.db2.gz RBHUTRBCZDOTKR-UHFFFAOYSA-N -1 3 395.423 3.195 20 30 GGEDHM CC(C)Oc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1-c1nn[n-]n1 ZINC000820165886 607434766 /nfs/dbraw/zinc/43/47/66/607434766.db2.gz RBHUTRBCZDOTKR-UHFFFAOYSA-N -1 3 395.423 3.195 20 30 GGEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000827717073 601300560 /nfs/dbraw/zinc/30/05/60/601300560.db2.gz DFMRNQLYXODYBB-YJYMSZOUSA-N -1 3 378.432 3.319 20 30 GGEDHM CC[C@@H](C#N)Oc1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC000828586324 601304917 /nfs/dbraw/zinc/30/49/17/601304917.db2.gz DJNIXTUZDBZMSF-FXAWDEMLSA-N -1 3 379.416 3.163 20 30 GGEDHM N#Cc1cccc([C@H](NCc2cccc(COC3CCOCC3)c2)C(=O)[O-])c1 ZINC000833076671 601305752 /nfs/dbraw/zinc/30/57/52/601305752.db2.gz XUXVEWFJVXINNN-NRFANRHFSA-N -1 3 380.444 3.169 20 30 GGEDHM CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc2NC1=O ZINC000829170546 601306965 /nfs/dbraw/zinc/30/69/65/601306965.db2.gz VUOYQXJTNAKUQP-JLBUNGTFSA-N -1 3 379.416 3.144 20 30 GGEDHM CN(CCC(=O)Nc1sccc1C#N)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727397 601901368 /nfs/dbraw/zinc/90/13/68/601901368.db2.gz RRBRWYQMGPMWGY-OAHLLOKOSA-N -1 3 397.378 3.123 20 30 GGEDHM COc1cc(C#N)ccc1OCCN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000831860797 601901394 /nfs/dbraw/zinc/90/13/94/601901394.db2.gz CLZPZSMTWUBKFH-GOSISDBHSA-N -1 3 394.349 3.121 20 30 GGEDHM COc1ccc(CSCCCOc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000826208061 607536282 /nfs/dbraw/zinc/53/62/82/607536282.db2.gz QYXRXMXBBWALMI-UHFFFAOYSA-N -1 3 381.461 3.449 20 30 GGEDHM COc1ccc(CSCCCOc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000826208061 607536284 /nfs/dbraw/zinc/53/62/84/607536284.db2.gz QYXRXMXBBWALMI-UHFFFAOYSA-N -1 3 381.461 3.449 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CC1 ZINC000825642272 602228777 /nfs/dbraw/zinc/22/87/77/602228777.db2.gz MGOKFJAYLMEQDB-UHFFFAOYSA-N -1 3 397.475 3.465 20 30 GGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000826246049 607688002 /nfs/dbraw/zinc/68/80/02/607688002.db2.gz PRTPNXDHUHJTTA-HNNXBMFYSA-N -1 3 386.337 3.189 20 30 GGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000826246049 607688004 /nfs/dbraw/zinc/68/80/04/607688004.db2.gz PRTPNXDHUHJTTA-HNNXBMFYSA-N -1 3 386.337 3.189 20 30 GGEDHM C[C@@H](Oc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1)C(=O)[O-] ZINC000833537966 604632975 /nfs/dbraw/zinc/63/29/75/604632975.db2.gz AFEBUQAPXVZQQM-MRXNPFEDSA-N -1 3 380.444 3.454 20 30 GGEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1ccc(C#N)[nH]1 ZINC000826272226 607706044 /nfs/dbraw/zinc/70/60/44/607706044.db2.gz ZJUAUPZEMOCASS-UHFFFAOYSA-N -1 3 385.387 3.420 20 30 GGEDHM C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498349 607709846 /nfs/dbraw/zinc/70/98/46/607709846.db2.gz FLOUANALYDPYRM-KDOFPFPSSA-N -1 3 375.436 3.272 20 30 GGEDHM C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498349 607709848 /nfs/dbraw/zinc/70/98/48/607709848.db2.gz FLOUANALYDPYRM-KDOFPFPSSA-N -1 3 375.436 3.272 20 30 GGEDHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000833417760 604947517 /nfs/dbraw/zinc/94/75/17/604947517.db2.gz XIYJNJHBYIPAPN-HNNXBMFYSA-N -1 3 391.899 3.409 20 30 GGEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000833416986 604947883 /nfs/dbraw/zinc/94/78/83/604947883.db2.gz IXHSRSWUPOYCFB-ZIAGYGMSSA-N -1 3 385.489 3.295 20 30 GGEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)[nH]1 ZINC000826384060 607745113 /nfs/dbraw/zinc/74/51/13/607745113.db2.gz FCEQVIVFCVWBEI-UHFFFAOYSA-N -1 3 389.350 3.250 20 30 GGEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)[nH]1 ZINC000826384060 607745114 /nfs/dbraw/zinc/74/51/14/607745114.db2.gz FCEQVIVFCVWBEI-UHFFFAOYSA-N -1 3 389.350 3.250 20 30 GGEDHM N#Cc1cccc(-c2csc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000826386619 607769589 /nfs/dbraw/zinc/76/95/89/607769589.db2.gz MFUMPBSVXOALEX-UHFFFAOYSA-N -1 3 387.428 3.043 20 30 GGEDHM N#Cc1cccc(-c2csc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000826386619 607769590 /nfs/dbraw/zinc/76/95/90/607769590.db2.gz MFUMPBSVXOALEX-UHFFFAOYSA-N -1 3 387.428 3.043 20 30 GGEDHM N#CCc1cccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826382472 607770444 /nfs/dbraw/zinc/77/04/44/607770444.db2.gz GIBXAOBNMRDQOD-UHFFFAOYSA-N -1 3 387.428 3.309 20 30 GGEDHM N#CCc1cccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826382472 607770445 /nfs/dbraw/zinc/77/04/45/607770445.db2.gz GIBXAOBNMRDQOD-UHFFFAOYSA-N -1 3 387.428 3.309 20 30 GGEDHM N#Cc1cc2ccccc2nc1N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822823663 606048869 /nfs/dbraw/zinc/04/88/69/606048869.db2.gz XCFXWQBGVPDOJH-UHFFFAOYSA-N -1 3 396.458 3.003 20 30 GGEDHM N#Cc1cc2ccccc2nc1N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822823663 606048872 /nfs/dbraw/zinc/04/88/72/606048872.db2.gz XCFXWQBGVPDOJH-UHFFFAOYSA-N -1 3 396.458 3.003 20 30 GGEDHM CC(C)[C@@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820016782 606168420 /nfs/dbraw/zinc/16/84/20/606168420.db2.gz PPJIIEHJXGHFQK-GOSISDBHSA-N -1 3 377.404 3.151 20 30 GGEDHM CC(C)[C@@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820016782 606168421 /nfs/dbraw/zinc/16/84/21/606168421.db2.gz PPJIIEHJXGHFQK-GOSISDBHSA-N -1 3 377.404 3.151 20 30 GGEDHM CC(C)[C@H](C#N)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820016066 606168552 /nfs/dbraw/zinc/16/85/52/606168552.db2.gz JADOFKBKXQPSJC-SFHVURJKSA-N -1 3 377.404 3.151 20 30 GGEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000822649632 606227133 /nfs/dbraw/zinc/22/71/33/606227133.db2.gz GKPQSXAXGYCNKL-SFHVURJKSA-N -1 3 383.415 3.113 20 30 GGEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000822649632 606227135 /nfs/dbraw/zinc/22/71/35/606227135.db2.gz GKPQSXAXGYCNKL-SFHVURJKSA-N -1 3 383.415 3.113 20 30 GGEDHM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822211878 606236211 /nfs/dbraw/zinc/23/62/11/606236211.db2.gz RUSHAJQWLZOXDH-UHFFFAOYSA-N -1 3 399.414 3.430 20 30 GGEDHM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822211878 606236213 /nfs/dbraw/zinc/23/62/13/606236213.db2.gz RUSHAJQWLZOXDH-UHFFFAOYSA-N -1 3 399.414 3.430 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C(C)c1cccc(OC)c1 ZINC000819744039 606236868 /nfs/dbraw/zinc/23/68/68/606236868.db2.gz UMELWTYVKDXBJM-FOWTUZBSSA-N -1 3 389.459 3.493 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C(C)c1cccc(OC)c1 ZINC000819744039 606236870 /nfs/dbraw/zinc/23/68/70/606236870.db2.gz UMELWTYVKDXBJM-FOWTUZBSSA-N -1 3 389.459 3.493 20 30 GGEDHM Cn1cc(C#N)cc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822665768 606252489 /nfs/dbraw/zinc/25/24/89/606252489.db2.gz YBEMSLOKFPSGMD-UHFFFAOYSA-N -1 3 385.387 3.121 20 30 GGEDHM Cn1cc(C#N)cc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822665768 606252491 /nfs/dbraw/zinc/25/24/91/606252491.db2.gz YBEMSLOKFPSGMD-UHFFFAOYSA-N -1 3 385.387 3.121 20 30 GGEDHM COc1cc(OC)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000821723522 606304029 /nfs/dbraw/zinc/30/40/29/606304029.db2.gz CPRYSTNJPRDHFB-ONEGZZNKSA-N -1 3 376.825 3.495 20 30 GGEDHM COc1cc(OC)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000821723522 606304032 /nfs/dbraw/zinc/30/40/32/606304032.db2.gz CPRYSTNJPRDHFB-ONEGZZNKSA-N -1 3 376.825 3.495 20 30 GGEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cnn1-c1ccc(F)cc1 ZINC000822016371 606305701 /nfs/dbraw/zinc/30/57/01/606305701.db2.gz YYBHXMXPRPVCNB-SREVYHEPSA-N -1 3 380.408 3.458 20 30 GGEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cnn1-c1ccc(F)cc1 ZINC000822016371 606305703 /nfs/dbraw/zinc/30/57/03/606305703.db2.gz YYBHXMXPRPVCNB-SREVYHEPSA-N -1 3 380.408 3.458 20 30 GGEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2c(Br)cccc21 ZINC000823498361 606306381 /nfs/dbraw/zinc/30/63/81/606306381.db2.gz MHWOTCVUKUYOHG-XBXARRHUSA-N -1 3 389.234 3.349 20 30 GGEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2c(Br)cccc21 ZINC000823498361 606306382 /nfs/dbraw/zinc/30/63/82/606306382.db2.gz MHWOTCVUKUYOHG-XBXARRHUSA-N -1 3 389.234 3.349 20 30 GGEDHM CC(C)[C@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820017292 606319369 /nfs/dbraw/zinc/31/93/69/606319369.db2.gz UZOACZKKWUWZMF-INIZCTEOSA-N -1 3 378.461 3.296 20 30 GGEDHM CC(C)[C@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820017292 606319370 /nfs/dbraw/zinc/31/93/70/606319370.db2.gz UZOACZKKWUWZMF-INIZCTEOSA-N -1 3 378.461 3.296 20 30 GGEDHM Cc1nccn1-c1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000819782588 606340632 /nfs/dbraw/zinc/34/06/32/606340632.db2.gz ONHNRYLJHNZTSE-UHFFFAOYSA-N -1 3 391.439 3.308 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)cc1C#N ZINC000819745875 606355017 /nfs/dbraw/zinc/35/50/17/606355017.db2.gz SNHCPZZAMKCEEX-UHFFFAOYSA-N -1 3 377.383 3.098 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)cc1C#N ZINC000819745875 606355019 /nfs/dbraw/zinc/35/50/19/606355019.db2.gz SNHCPZZAMKCEEX-UHFFFAOYSA-N -1 3 377.383 3.098 20 30 GGEDHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820937919 606371822 /nfs/dbraw/zinc/37/18/22/606371822.db2.gz FHMMOMUSYTXHGG-HNNXBMFYSA-N -1 3 382.811 3.188 20 30 GGEDHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820937919 606371824 /nfs/dbraw/zinc/37/18/24/606371824.db2.gz FHMMOMUSYTXHGG-HNNXBMFYSA-N -1 3 382.811 3.188 20 30 GGEDHM Cc1ccc(C)c(N=C2NC(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)S2)c1 ZINC000822231961 606387239 /nfs/dbraw/zinc/38/72/39/606387239.db2.gz OIWGNMBUENJYGF-ZSOIEALJSA-N -1 3 382.474 3.437 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(Cl)nc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822016028 606392289 /nfs/dbraw/zinc/39/22/89/606392289.db2.gz TYPKVARSJZCOGQ-WAPJZHGLSA-N -1 3 391.822 3.305 20 30 GGEDHM N#Cc1ccc(CN(Cc2cccc(F)c2)c2ncccc2-c2nnn[n-]2)cc1 ZINC000822825328 606399682 /nfs/dbraw/zinc/39/96/82/606399682.db2.gz BMVMYPINAFZDFE-UHFFFAOYSA-N -1 3 385.406 3.479 20 30 GGEDHM N#Cc1ccc(CN(Cc2cccc(F)c2)c2ncccc2-c2nn[n-]n2)cc1 ZINC000822825328 606399684 /nfs/dbraw/zinc/39/96/84/606399684.db2.gz BMVMYPINAFZDFE-UHFFFAOYSA-N -1 3 385.406 3.479 20 30 GGEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cn2)cc1 ZINC000822833388 606495062 /nfs/dbraw/zinc/49/50/62/606495062.db2.gz POGYEIYLPVYFGT-UHFFFAOYSA-N -1 3 389.400 3.239 20 30 GGEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cn2)cc1 ZINC000822833388 606495063 /nfs/dbraw/zinc/49/50/63/606495063.db2.gz POGYEIYLPVYFGT-UHFFFAOYSA-N -1 3 389.400 3.239 20 30 GGEDHM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(Cl)c1Cl ZINC000822801642 606572338 /nfs/dbraw/zinc/57/23/38/606572338.db2.gz LOJZOIXWANBIOI-JTQLQIEISA-N -1 3 379.232 3.230 20 30 GGEDHM N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(Cl)c1Cl ZINC000822801642 606572340 /nfs/dbraw/zinc/57/23/40/606572340.db2.gz LOJZOIXWANBIOI-JTQLQIEISA-N -1 3 379.232 3.230 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCO[C@@H]1C(C)C ZINC000819743103 606587430 /nfs/dbraw/zinc/58/74/30/606587430.db2.gz CNJMOLQFYMTEHG-RTBURBONSA-N -1 3 398.511 3.016 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCO[C@@H]1C(C)C ZINC000819743103 606587431 /nfs/dbraw/zinc/58/74/31/606587431.db2.gz CNJMOLQFYMTEHG-RTBURBONSA-N -1 3 398.511 3.016 20 30 GGEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC#Cc1ccc(Cl)cc1 ZINC000822505700 606638211 /nfs/dbraw/zinc/63/82/11/606638211.db2.gz RTIKKMZGWHQBMP-UHFFFAOYSA-N -1 3 375.823 3.139 20 30 GGEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC#Cc1ccc(Cl)cc1 ZINC000822505700 606638212 /nfs/dbraw/zinc/63/82/12/606638212.db2.gz RTIKKMZGWHQBMP-UHFFFAOYSA-N -1 3 375.823 3.139 20 30 GGEDHM C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820219908 606657024 /nfs/dbraw/zinc/65/70/24/606657024.db2.gz LGIYPBNWDFSDQC-CYBMUJFWSA-N -1 3 377.408 3.425 20 30 GGEDHM C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820219908 606657025 /nfs/dbraw/zinc/65/70/25/606657025.db2.gz LGIYPBNWDFSDQC-CYBMUJFWSA-N -1 3 377.408 3.425 20 30 GGEDHM N#Cc1cc(F)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c(F)c1 ZINC000822819357 606664800 /nfs/dbraw/zinc/66/48/00/606664800.db2.gz RGBBAYPRMSNBAB-UHFFFAOYSA-N -1 3 386.387 3.209 20 30 GGEDHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820294015 606680518 /nfs/dbraw/zinc/68/05/18/606680518.db2.gz QHKOJYGUBBGOSK-LLVKDONJSA-N -1 3 382.424 3.244 20 30 GGEDHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820294015 606680519 /nfs/dbraw/zinc/68/05/19/606680519.db2.gz QHKOJYGUBBGOSK-LLVKDONJSA-N -1 3 382.424 3.244 20 30 GGEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000822135458 606788040 /nfs/dbraw/zinc/78/80/40/606788040.db2.gz AVZPXJFMSGYWAY-ZDUSSCGKSA-N -1 3 376.420 3.199 20 30 GGEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000822135458 606788041 /nfs/dbraw/zinc/78/80/41/606788041.db2.gz AVZPXJFMSGYWAY-ZDUSSCGKSA-N -1 3 376.420 3.199 20 30 GGEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000822259227 606820957 /nfs/dbraw/zinc/82/09/57/606820957.db2.gz QFQFGULOTHBGSR-PLNGDYQASA-N -1 3 396.357 3.320 20 30 GGEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000822259227 606820958 /nfs/dbraw/zinc/82/09/58/606820958.db2.gz QFQFGULOTHBGSR-PLNGDYQASA-N -1 3 396.357 3.320 20 30 GGEDHM N#Cc1ccccc1OCCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822842740 606841577 /nfs/dbraw/zinc/84/15/77/606841577.db2.gz WJNZTQVMVOJXGH-UHFFFAOYSA-N -1 3 381.461 3.319 20 30 GGEDHM N#Cc1ccccc1OCCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822842740 606841578 /nfs/dbraw/zinc/84/15/78/606841578.db2.gz WJNZTQVMVOJXGH-UHFFFAOYSA-N -1 3 381.461 3.319 20 30 GGEDHM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2C[C@@H](C)N(Cc3ccccc3)C2)o1 ZINC000820107928 606860652 /nfs/dbraw/zinc/86/06/52/606860652.db2.gz DJASQKIGHKKTAX-CQSZACIVSA-N -1 3 394.483 3.116 20 30 GGEDHM C[C@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)CN1Cc1ccccc1 ZINC000820643236 606861227 /nfs/dbraw/zinc/86/12/27/606861227.db2.gz SKCITCBETMTJJT-ZDUSSCGKSA-N -1 3 394.483 3.215 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1OC ZINC000819758772 606972465 /nfs/dbraw/zinc/97/24/65/606972465.db2.gz HBGMYSOWHOVVPB-BENRWUELSA-N -1 3 391.431 3.116 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1OC ZINC000819758772 606972468 /nfs/dbraw/zinc/97/24/68/606972468.db2.gz HBGMYSOWHOVVPB-BENRWUELSA-N -1 3 391.431 3.116 20 30 GGEDHM C=CCOc1ccccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819759321 607196868 /nfs/dbraw/zinc/19/68/68/607196868.db2.gz UHOSGDGRBKADTN-UHFFFAOYSA-N -1 3 384.827 3.407 20 30 GGEDHM C=CCOc1ccccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819759321 607196869 /nfs/dbraw/zinc/19/68/69/607196869.db2.gz UHOSGDGRBKADTN-UHFFFAOYSA-N -1 3 384.827 3.407 20 30 GGEDHM C[C@H](OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C(C)(C)C#N ZINC000824723269 607806124 /nfs/dbraw/zinc/80/61/24/607806124.db2.gz OLSCFFGKMKARJB-LBPRGKRZSA-N -1 3 381.392 3.134 20 30 GGEDHM C[C@H](OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C(C)(C)C#N ZINC000824723269 607806125 /nfs/dbraw/zinc/80/61/25/607806125.db2.gz OLSCFFGKMKARJB-LBPRGKRZSA-N -1 3 381.392 3.134 20 30 GGEDHM C[C@@H](C#N)CN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000824035354 607823969 /nfs/dbraw/zinc/82/39/69/607823969.db2.gz XSTKSNZGOXXEKW-AWEZNQCLSA-N -1 3 388.431 3.423 20 30 GGEDHM C[C@@H](C#N)CN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000824035354 607823970 /nfs/dbraw/zinc/82/39/70/607823970.db2.gz XSTKSNZGOXXEKW-AWEZNQCLSA-N -1 3 388.431 3.423 20 30 GGEDHM C#CCOc1cccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)c1 ZINC000823856292 607833717 /nfs/dbraw/zinc/83/37/17/607833717.db2.gz OLXXNCMEPREJRK-UHFFFAOYSA-N -1 3 388.214 3.438 20 30 GGEDHM C#CCOc1cccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)c1 ZINC000823856292 607833718 /nfs/dbraw/zinc/83/37/18/607833718.db2.gz OLXXNCMEPREJRK-UHFFFAOYSA-N -1 3 388.214 3.438 20 30 GGEDHM Brc1cccc2[nH]cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)c21 ZINC000823832740 607843339 /nfs/dbraw/zinc/84/33/39/607843339.db2.gz VDGRAYCGDVDWLC-UHFFFAOYSA-N -1 3 396.252 3.234 20 30 GGEDHM Brc1cccc2[nH]cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)c21 ZINC000823832740 607843340 /nfs/dbraw/zinc/84/33/40/607843340.db2.gz VDGRAYCGDVDWLC-UHFFFAOYSA-N -1 3 396.252 3.234 20 30 GGEDHM FC(F)(F)c1ccccc1NC(=S)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826369098 607882350 /nfs/dbraw/zinc/88/23/50/607882350.db2.gz MJCZOHIQOZJOSB-UHFFFAOYSA-N -1 3 391.382 3.206 20 30 GGEDHM FC(F)(F)c1ccccc1NC(=S)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826369098 607882351 /nfs/dbraw/zinc/88/23/51/607882351.db2.gz MJCZOHIQOZJOSB-UHFFFAOYSA-N -1 3 391.382 3.206 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000823914120 607888443 /nfs/dbraw/zinc/88/84/43/607888443.db2.gz AQQKWFOKSZDQMU-INIZCTEOSA-N -1 3 396.476 3.003 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000823914120 607888444 /nfs/dbraw/zinc/88/84/44/607888444.db2.gz AQQKWFOKSZDQMU-INIZCTEOSA-N -1 3 396.476 3.003 20 30 GGEDHM CC(C)(C)c1cc(NC(=O)COc2ccccc2-c2nnn[n-]2)c(C#N)s1 ZINC000824130039 607930020 /nfs/dbraw/zinc/93/00/20/607930020.db2.gz HAKYQTQBXPRHRR-UHFFFAOYSA-N -1 3 382.449 3.115 20 30 GGEDHM CC(C)(C)c1cc(NC(=O)COc2ccccc2-c2nn[n-]n2)c(C#N)s1 ZINC000824130039 607930021 /nfs/dbraw/zinc/93/00/21/607930021.db2.gz HAKYQTQBXPRHRR-UHFFFAOYSA-N -1 3 382.449 3.115 20 30 GGEDHM C#CCNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000823850277 607966939 /nfs/dbraw/zinc/96/69/39/607966939.db2.gz MIAXTEYIDBMPPE-UHFFFAOYSA-N -1 3 398.879 3.019 20 30 GGEDHM C#CCNC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000823850277 607966940 /nfs/dbraw/zinc/96/69/40/607966940.db2.gz MIAXTEYIDBMPPE-UHFFFAOYSA-N -1 3 398.879 3.019 20 30 GGEDHM C=C[C@@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883344 607982404 /nfs/dbraw/zinc/98/24/04/607982404.db2.gz OYUIMHVKZVWXOE-HNNXBMFYSA-N -1 3 385.431 3.351 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000823914468 608026825 /nfs/dbraw/zinc/02/68/25/608026825.db2.gz JKDFRELEPAUHCN-OAHLLOKOSA-N -1 3 396.476 3.003 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000823914468 608026826 /nfs/dbraw/zinc/02/68/26/608026826.db2.gz JKDFRELEPAUHCN-OAHLLOKOSA-N -1 3 396.476 3.003 20 30 GGEDHM CCN(CC#N)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825395961 608058263 /nfs/dbraw/zinc/05/82/63/608058263.db2.gz YOCGZXRECLHFSC-UHFFFAOYSA-N -1 3 382.811 3.298 20 30 GGEDHM CCN(CC#N)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825395961 608058264 /nfs/dbraw/zinc/05/82/64/608058264.db2.gz YOCGZXRECLHFSC-UHFFFAOYSA-N -1 3 382.811 3.298 20 30 GGEDHM CC[C@@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825039470 608060183 /nfs/dbraw/zinc/06/01/83/608060183.db2.gz RQJOEIAUYFWVHV-LBPRGKRZSA-N -1 3 382.811 3.344 20 30 GGEDHM CC[C@@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825039470 608060184 /nfs/dbraw/zinc/06/01/84/608060184.db2.gz RQJOEIAUYFWVHV-LBPRGKRZSA-N -1 3 382.811 3.344 20 30 GGEDHM C#CCN(CC#C)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823845413 608066269 /nfs/dbraw/zinc/06/62/69/608066269.db2.gz RBVAQNCYEQZKHR-UHFFFAOYSA-N -1 3 391.818 3.021 20 30 GGEDHM C#CCN(CC#C)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823845413 608066270 /nfs/dbraw/zinc/06/62/70/608066270.db2.gz RBVAQNCYEQZKHR-UHFFFAOYSA-N -1 3 391.818 3.021 20 30 GGEDHM CC(C)OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824309822 608141682 /nfs/dbraw/zinc/14/16/82/608141682.db2.gz WKTWKFDKTPNFLD-OAHLLOKOSA-N -1 3 396.476 3.372 20 30 GGEDHM CC(C)OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824309822 608141683 /nfs/dbraw/zinc/14/16/83/608141683.db2.gz WKTWKFDKTPNFLD-OAHLLOKOSA-N -1 3 396.476 3.372 20 30 GGEDHM COc1ccc(-c2nnn[n-]2)cc1CON=Cc1ccccc1C(F)(F)F ZINC000826184700 608150565 /nfs/dbraw/zinc/15/05/65/608150565.db2.gz HLHSRWMRCAXKDJ-UHFFFAOYSA-N -1 3 377.326 3.445 20 30 GGEDHM COc1ccc(-c2nn[n-]n2)cc1CON=Cc1ccccc1C(F)(F)F ZINC000826184700 608150566 /nfs/dbraw/zinc/15/05/66/608150566.db2.gz HLHSRWMRCAXKDJ-UHFFFAOYSA-N -1 3 377.326 3.445 20 30 GGEDHM COc1ccc(-c2nnn[n-]2)cc1CON=Cc1ccc(OC(C)C)c(OC)c1 ZINC000826184986 608151271 /nfs/dbraw/zinc/15/12/71/608151271.db2.gz UHMYMXSZERFITQ-UHFFFAOYSA-N -1 3 397.435 3.222 20 30 GGEDHM COc1ccc(-c2nn[n-]n2)cc1CON=Cc1ccc(OC(C)C)c(OC)c1 ZINC000826184986 608151272 /nfs/dbraw/zinc/15/12/72/608151272.db2.gz UHMYMXSZERFITQ-UHFFFAOYSA-N -1 3 397.435 3.222 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1cnccc1C ZINC000823909731 608203453 /nfs/dbraw/zinc/20/34/53/608203453.db2.gz OVVWGTHFMPKCMX-OAHLLOKOSA-N -1 3 377.452 3.029 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1cnccc1C ZINC000823909731 608203455 /nfs/dbraw/zinc/20/34/55/608203455.db2.gz OVVWGTHFMPKCMX-OAHLLOKOSA-N -1 3 377.452 3.029 20 30 GGEDHM C=CCN(C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C1CC1 ZINC000823903856 608259575 /nfs/dbraw/zinc/25/95/75/608259575.db2.gz MKVAHHRAJFHQQY-UHFFFAOYSA-N -1 3 377.408 3.236 20 30 GGEDHM C=CCN(C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C1CC1 ZINC000823903856 608259576 /nfs/dbraw/zinc/25/95/76/608259576.db2.gz MKVAHHRAJFHQQY-UHFFFAOYSA-N -1 3 377.408 3.236 20 30 GGEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000824171911 608275745 /nfs/dbraw/zinc/27/57/45/608275745.db2.gz GYGOROPTZAXZRG-ZDUSSCGKSA-N -1 3 397.460 3.011 20 30 GGEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000824171911 608275746 /nfs/dbraw/zinc/27/57/46/608275746.db2.gz GYGOROPTZAXZRG-ZDUSSCGKSA-N -1 3 397.460 3.011 20 30 GGEDHM C=CCCO[C@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823899102 608328609 /nfs/dbraw/zinc/32/86/09/608328609.db2.gz LMGZIYPTYJQOQQ-OAHLLOKOSA-N -1 3 377.448 3.131 20 30 GGEDHM C=CCCO[C@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823899102 608328611 /nfs/dbraw/zinc/32/86/11/608328611.db2.gz LMGZIYPTYJQOQQ-OAHLLOKOSA-N -1 3 377.448 3.131 20 30 GGEDHM CCN(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000825361521 608347002 /nfs/dbraw/zinc/34/70/02/608347002.db2.gz DMTVANQCIQRADF-LBPRGKRZSA-N -1 3 396.838 3.212 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccncc1CC ZINC000823909666 608357343 /nfs/dbraw/zinc/35/73/43/608357343.db2.gz MTNHJKKERGWLIK-HNNXBMFYSA-N -1 3 391.479 3.283 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccncc1CC ZINC000823909666 608357344 /nfs/dbraw/zinc/35/73/44/608357344.db2.gz MTNHJKKERGWLIK-HNNXBMFYSA-N -1 3 391.479 3.283 20 30 GGEDHM C[C@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(C#N)c1 ZINC000824489400 608414949 /nfs/dbraw/zinc/41/49/49/608414949.db2.gz KMWSJWLZBWNTDS-HNNXBMFYSA-N -1 3 399.458 3.298 20 30 GGEDHM C[C@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccc(C#N)c1 ZINC000824489400 608414951 /nfs/dbraw/zinc/41/49/51/608414951.db2.gz KMWSJWLZBWNTDS-HNNXBMFYSA-N -1 3 399.458 3.298 20 30 GGEDHM Cc1cc(Br)ccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826256647 608536077 /nfs/dbraw/zinc/53/60/77/608536077.db2.gz TZUJGVYHEAEQMG-UHFFFAOYSA-N -1 3 392.648 3.432 20 30 GGEDHM Cc1cc(Br)ccc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826256647 608536079 /nfs/dbraw/zinc/53/60/79/608536079.db2.gz TZUJGVYHEAEQMG-UHFFFAOYSA-N -1 3 392.648 3.432 20 30 GGEDHM Fc1ccc2c(c1)C(=NNc1cc(-c3nnn[n-]3)cc(Cl)n1)CCS2 ZINC000826375760 608538055 /nfs/dbraw/zinc/53/80/55/608538055.db2.gz ATNFSYZGDHQBBY-UHFFFAOYSA-N -1 3 375.820 3.366 20 30 GGEDHM Fc1ccc2c(c1)C(=NNc1cc(-c3nn[n-]n3)cc(Cl)n1)CCS2 ZINC000826375760 608538056 /nfs/dbraw/zinc/53/80/56/608538056.db2.gz ATNFSYZGDHQBBY-UHFFFAOYSA-N -1 3 375.820 3.366 20 30 GGEDHM COc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1OC(C)C ZINC000826215387 608540276 /nfs/dbraw/zinc/54/02/76/608540276.db2.gz NMMONOKMAQRRSR-UHFFFAOYSA-N -1 3 387.831 3.157 20 30 GGEDHM COc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1OC(C)C ZINC000826215387 608540278 /nfs/dbraw/zinc/54/02/78/608540278.db2.gz NMMONOKMAQRRSR-UHFFFAOYSA-N -1 3 387.831 3.157 20 30 GGEDHM N#CC1(COC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CCCC1 ZINC000826380225 609157547 /nfs/dbraw/zinc/15/75/47/609157547.db2.gz RSEDHCRLVXDWGV-UHFFFAOYSA-N -1 3 393.403 3.279 20 30 GGEDHM N#CC1(COC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CCCC1 ZINC000826380225 609157548 /nfs/dbraw/zinc/15/75/48/609157548.db2.gz RSEDHCRLVXDWGV-UHFFFAOYSA-N -1 3 393.403 3.279 20 30 GGEDHM COc1cc(C)nc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000826177951 609160108 /nfs/dbraw/zinc/16/01/08/609160108.db2.gz CKVPDOYBSVYQIO-UHFFFAOYSA-N -1 3 377.330 3.044 20 30 GGEDHM COc1cc(C)nc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000826177951 609160109 /nfs/dbraw/zinc/16/01/09/609160109.db2.gz CKVPDOYBSVYQIO-UHFFFAOYSA-N -1 3 377.330 3.044 20 30 GGEDHM O=C(C=Cc1csc(-c2ccccn2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403574 609273121 /nfs/dbraw/zinc/27/31/21/609273121.db2.gz WHXODBVNURECKU-FNORWQNLSA-N -1 3 378.392 3.420 20 30 GGEDHM O=C(C=Cc1csc(-c2ccccn2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403574 609273123 /nfs/dbraw/zinc/27/31/23/609273123.db2.gz WHXODBVNURECKU-FNORWQNLSA-N -1 3 378.392 3.420 20 30 GGEDHM C=CCn1c(C)nnc1SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000823937133 609305598 /nfs/dbraw/zinc/30/55/98/609305598.db2.gz JOPDRCARNNRHNL-UHFFFAOYSA-N -1 3 392.286 3.007 20 30 GGEDHM C=CCn1c(C)nnc1SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000823937133 609305600 /nfs/dbraw/zinc/30/56/00/609305600.db2.gz JOPDRCARNNRHNL-UHFFFAOYSA-N -1 3 392.286 3.007 20 30 GGEDHM Cc1c(C(C)N=Nc2cc(Cl)ccn2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823958063 609307431 /nfs/dbraw/zinc/30/74/31/609307431.db2.gz AIVRJZFEMGUGTJ-UHFFFAOYSA-N -1 3 393.842 3.245 20 30 GGEDHM C=CCCC(=O)COC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823888613 609350391 /nfs/dbraw/zinc/35/03/91/609350391.db2.gz RTTIDMSALBXYOV-UHFFFAOYSA-N -1 3 378.388 3.351 20 30 GGEDHM C=CCCC(=O)COC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823888613 609350393 /nfs/dbraw/zinc/35/03/93/609350393.db2.gz RTTIDMSALBXYOV-UHFFFAOYSA-N -1 3 378.388 3.351 20 30 GGEDHM CC(C)(C#N)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000824058909 609429604 /nfs/dbraw/zinc/42/96/04/609429604.db2.gz IKTBTJPIWHCITR-UHFFFAOYSA-N -1 3 378.461 3.297 20 30 GGEDHM CC(C)(C#N)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000824058909 609429606 /nfs/dbraw/zinc/42/96/06/609429606.db2.gz IKTBTJPIWHCITR-UHFFFAOYSA-N -1 3 378.461 3.297 20 30 GGEDHM C[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824513989 609454432 /nfs/dbraw/zinc/45/44/32/609454432.db2.gz LDQDMDDUKDWLHV-CQSZACIVSA-N -1 3 397.442 3.235 20 30 GGEDHM C[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824513989 609454435 /nfs/dbraw/zinc/45/44/35/609454435.db2.gz LDQDMDDUKDWLHV-CQSZACIVSA-N -1 3 397.442 3.235 20 30 GGEDHM Clc1cc(NN=Cc2cnc(-c3ccccn3)s2)ccc1-c1nnn[n-]1 ZINC000826351640 609471820 /nfs/dbraw/zinc/47/18/20/609471820.db2.gz URYNQTOBSZKPQU-UHFFFAOYSA-N -1 3 382.840 3.485 20 30 GGEDHM Clc1cc(NN=Cc2cnc(-c3ccccn3)s2)ccc1-c1nn[n-]n1 ZINC000826351640 609471821 /nfs/dbraw/zinc/47/18/21/609471821.db2.gz URYNQTOBSZKPQU-UHFFFAOYSA-N -1 3 382.840 3.485 20 30 GGEDHM CCCc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1C1CCCC1 ZINC000825348106 609501480 /nfs/dbraw/zinc/50/14/80/609501480.db2.gz CKXLWLNPDKFWEL-UHFFFAOYSA-N -1 3 390.451 3.255 20 30 GGEDHM CCCc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1C1CCCC1 ZINC000825348106 609501481 /nfs/dbraw/zinc/50/14/81/609501481.db2.gz CKXLWLNPDKFWEL-UHFFFAOYSA-N -1 3 390.451 3.255 20 30 GGEDHM Cc1c(Cl)cnc(NCCSCc2ccccc2-c2nnn[n-]2)c1C#N ZINC000826240234 609522617 /nfs/dbraw/zinc/52/26/17/609522617.db2.gz JRJOSOTURICJQW-UHFFFAOYSA-N -1 3 385.884 3.441 20 30 GGEDHM Cc1c(Cl)cnc(NCCSCc2ccccc2-c2nn[n-]n2)c1C#N ZINC000826240234 609522618 /nfs/dbraw/zinc/52/26/18/609522618.db2.gz JRJOSOTURICJQW-UHFFFAOYSA-N -1 3 385.884 3.441 20 30 GGEDHM Cc1c(Cl)cnc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1C#N ZINC000826238133 609548742 /nfs/dbraw/zinc/54/87/42/609548742.db2.gz XEFRUUYKEAPXJU-UHFFFAOYSA-N -1 3 395.854 3.143 20 30 GGEDHM Cc1c(Cl)cnc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1C#N ZINC000826238133 609548744 /nfs/dbraw/zinc/54/87/44/609548744.db2.gz XEFRUUYKEAPXJU-UHFFFAOYSA-N -1 3 395.854 3.143 20 30 GGEDHM C[C@@H](Nc1ccc(C#N)cn1)c1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824657619 609593768 /nfs/dbraw/zinc/59/37/68/609593768.db2.gz RQWXSJXPKDZZOT-CQSZACIVSA-N -1 3 397.446 3.314 20 30 GGEDHM C[C@@H](Nc1ccc(C#N)cn1)c1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824657619 609593770 /nfs/dbraw/zinc/59/37/70/609593770.db2.gz RQWXSJXPKDZZOT-CQSZACIVSA-N -1 3 397.446 3.314 20 30 GGEDHM N#Cc1ccc(SCC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826386166 609619141 /nfs/dbraw/zinc/61/91/41/609619141.db2.gz RVWJCJPSYYRJCS-UHFFFAOYSA-N -1 3 385.836 3.227 20 30 GGEDHM N#Cc1ccc(SCC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826386166 609619142 /nfs/dbraw/zinc/61/91/42/609619142.db2.gz RVWJCJPSYYRJCS-UHFFFAOYSA-N -1 3 385.836 3.227 20 30 GGEDHM CCOC(=O)N(C)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000054312819 1406688046 /nfs/dbraw/zinc/68/80/46/1406688046.db2.gz SVYDYXAMQDFCNL-UHFFFAOYSA-N -1 3 396.447 3.027 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1cccc2ccccc21 ZINC000054592042 1406778657 /nfs/dbraw/zinc/77/86/57/1406778657.db2.gz RADCCCSLCOIBSC-UHFFFAOYSA-N -1 3 389.455 3.144 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000007673884 1398725961 /nfs/dbraw/zinc/72/59/61/1398725961.db2.gz OEZNWCGJSAAFNJ-UHFFFAOYSA-N -1 3 396.487 3.125 20 30 GGEDHM Cc1cc(C)c(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000007673937 1398726450 /nfs/dbraw/zinc/72/64/50/1398726450.db2.gz QHMNAJATLPOEIF-UHFFFAOYSA-N -1 3 380.444 3.147 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000007674150 1398726717 /nfs/dbraw/zinc/72/67/17/1398726717.db2.gz DMCOBUKMCGWMBX-ZDUSSCGKSA-N -1 3 386.835 3.264 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1csc(-c2ccccn2)n1 ZINC000010717823 1398914701 /nfs/dbraw/zinc/91/47/01/1398914701.db2.gz BHTMNKDPVUSKEX-UHFFFAOYSA-N -1 3 394.456 3.058 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1csc(-c2ccccc2)n1 ZINC000010893934 1398929195 /nfs/dbraw/zinc/92/91/95/1398929195.db2.gz XWBRHPQJWXJSDJ-UHFFFAOYSA-N -1 3 392.484 3.236 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000055542774 1406996116 /nfs/dbraw/zinc/99/61/16/1406996116.db2.gz OJWGBIHRZDXKDG-UHFFFAOYSA-N -1 3 379.338 3.175 20 30 GGEDHM Cc1nc(-c2ccc(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)o2)cs1 ZINC000012980535 1399070402 /nfs/dbraw/zinc/07/04/02/1399070402.db2.gz PJMLDQPFZMLFNO-UHFFFAOYSA-N -1 3 396.472 3.137 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1OCC(F)(F)F ZINC000014553911 1399110010 /nfs/dbraw/zinc/11/00/10/1399110010.db2.gz QTKOXAHYTWPXOP-UHFFFAOYSA-N -1 3 393.365 3.376 20 30 GGEDHM COc1cc(OC)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1Cl ZINC000020002068 1399340197 /nfs/dbraw/zinc/34/01/97/1399340197.db2.gz BCACIZVIUDRGOV-UHFFFAOYSA-N -1 3 389.839 3.105 20 30 GGEDHM COc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(OC)cc1Cl ZINC000020011153 1399340654 /nfs/dbraw/zinc/34/06/54/1399340654.db2.gz YZMYDNYUHIFAKO-UHFFFAOYSA-N -1 3 389.839 3.105 20 30 GGEDHM COc1ccc(C)cc1-c1csc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000029353620 1400286725 /nfs/dbraw/zinc/28/67/25/1400286725.db2.gz IFGLMFXJUUIBLW-UHFFFAOYSA-N -1 3 386.389 3.360 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3cc(C)ccc32)ccc1F ZINC000045310684 1404096106 /nfs/dbraw/zinc/09/61/06/1404096106.db2.gz GNSDGZRKZWVPIE-UHFFFAOYSA-N -1 3 388.464 3.191 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046164897 1404317581 /nfs/dbraw/zinc/31/75/81/1404317581.db2.gz YTFNQJACNDUMKG-UHFFFAOYSA-N -1 3 396.509 3.402 20 30 GGEDHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)cc1S(=O)(=O)N1CCCCC1 ZINC000046440020 1404415741 /nfs/dbraw/zinc/41/57/41/1404415741.db2.gz TUOZWGKCQCKZEL-QGZVFWFLSA-N -1 3 383.473 3.055 20 30 GGEDHM CN(c1ccccc1)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000046440040 1404415773 /nfs/dbraw/zinc/41/57/73/1404415773.db2.gz QJUQDIPTUYTWEL-IBGZPJMESA-N -1 3 391.452 3.397 20 30 GGEDHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C([O-])=C(C#N)c3ccccn3)c2)C1 ZINC000046439931 1404415828 /nfs/dbraw/zinc/41/58/28/1404415828.db2.gz PSICLSKWIMTNHQ-MDZRGWNJSA-N -1 3 397.500 3.238 20 30 GGEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000047454403 1404842501 /nfs/dbraw/zinc/84/25/01/1404842501.db2.gz PMSXRWDMJUSCBS-UHFFFAOYSA-N -1 3 389.477 3.420 20 30 GGEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000047533899 1404860179 /nfs/dbraw/zinc/86/01/79/1404860179.db2.gz WAYGAAGAGNUKDH-AWEZNQCLSA-N -1 3 389.452 3.248 20 30 GGEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000047533900 1404860253 /nfs/dbraw/zinc/86/02/53/1404860253.db2.gz WAYGAAGAGNUKDH-CQSZACIVSA-N -1 3 389.452 3.248 20 30 GGEDHM C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(CN(C)C)c3)cc2[n-]c1=S ZINC000047538366 1404861415 /nfs/dbraw/zinc/86/14/15/1404861415.db2.gz NYXCQVKMMLSJBG-UHFFFAOYSA-N -1 3 394.500 3.185 20 30 GGEDHM C=CCOc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049395593 1405377161 /nfs/dbraw/zinc/37/71/61/1405377161.db2.gz UUMHQVAZWISJGB-QGZVFWFLSA-N -1 3 386.415 3.252 20 30 GGEDHM N#Cc1ccsc1C(=O)[N-]c1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000052029321 1405906103 /nfs/dbraw/zinc/90/61/03/1405906103.db2.gz OLOXIDOJMWPCMQ-UHFFFAOYSA-N -1 3 381.413 3.091 20 30 GGEDHM COc1ccc(-c2nn(-c3ccccc3)cc2C=C([O-])NC2=NCCS2)cc1 ZINC000052817717 1406181581 /nfs/dbraw/zinc/18/15/81/1406181581.db2.gz VGDBZIRLRGYIAJ-UHFFFAOYSA-N -1 3 392.484 3.309 20 30 GGEDHM CC(=O)Nc1cccc([C@@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000060541358 1407998761 /nfs/dbraw/zinc/99/87/61/1407998761.db2.gz WIHLECTYAJVPFK-CQSZACIVSA-N -1 3 381.432 3.059 20 30 GGEDHM CC(=O)Nc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1Cl ZINC000063335100 1408339930 /nfs/dbraw/zinc/33/99/30/1408339930.db2.gz DKXKISPSCMYNDC-UHFFFAOYSA-N -1 3 386.839 3.047 20 30 GGEDHM COCCN(Cc1ccc(C#N)cc1)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000063754297 1408401077 /nfs/dbraw/zinc/40/10/77/1408401077.db2.gz ULWHDBGSDGRAMB-UHFFFAOYSA-N -1 3 378.428 3.327 20 30 GGEDHM Cc1oc(-c2cnn(C)c2)nc1C([O-])=C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000176460449 1428326538 /nfs/dbraw/zinc/32/65/38/1428326538.db2.gz RUPXRGYDQFQXTR-KRWDZBQOSA-N -1 3 399.410 3.498 20 30 GGEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000066800189 1408918010 /nfs/dbraw/zinc/91/80/10/1408918010.db2.gz VURYQVDJXPGWSC-LLVKDONJSA-N -1 3 382.445 3.482 20 30 GGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C#N)C2CCCCC2)ccc1F ZINC000176630626 1428385235 /nfs/dbraw/zinc/38/52/35/1428385235.db2.gz JEMLYNJTDGFWIR-INIZCTEOSA-N -1 3 395.500 3.105 20 30 GGEDHM Cc1nc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ccc1C#N ZINC000176629997 1428385358 /nfs/dbraw/zinc/38/53/58/1428385358.db2.gz HOPVRHTZRWJWBP-UHFFFAOYSA-N -1 3 398.850 3.112 20 30 GGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C#N)C2CCCCC2)ccc1F ZINC000176630645 1428385399 /nfs/dbraw/zinc/38/53/99/1428385399.db2.gz JEMLYNJTDGFWIR-MRXNPFEDSA-N -1 3 395.500 3.105 20 30 GGEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(N3CCC(C)=N3)cc2)n1 ZINC000067897739 1409251491 /nfs/dbraw/zinc/25/14/91/1409251491.db2.gz YFXJAIBGQXXCEV-HNNXBMFYSA-N -1 3 382.445 3.396 20 30 GGEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(N3CCC(C)=N3)cc2)n1 ZINC000067897741 1409251627 /nfs/dbraw/zinc/25/16/27/1409251627.db2.gz YFXJAIBGQXXCEV-OAHLLOKOSA-N -1 3 382.445 3.396 20 30 GGEDHM O=S(=O)(CCC/N=C/c1cc(Br)ccc1[O-])c1ccccc1 ZINC000069287164 1409605054 /nfs/dbraw/zinc/60/50/54/1409605054.db2.gz HYWJGFLDHBIPQQ-LDADJPATSA-N -1 3 382.279 3.438 20 30 GGEDHM N#CCCCOc1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000091811043 1410083751 /nfs/dbraw/zinc/08/37/51/1410083751.db2.gz BCOPCNNCMOZTAY-UHFFFAOYSA-N -1 3 379.460 3.033 20 30 GGEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000102120433 1410566523 /nfs/dbraw/zinc/56/65/23/1410566523.db2.gz MKEPUVSATGVKJJ-NSHDSACASA-N -1 3 391.742 3.357 20 30 GGEDHM C#Cc1cccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000103031342 1410821389 /nfs/dbraw/zinc/82/13/89/1410821389.db2.gz VVLUSWLBCNRQRN-UHFFFAOYSA-N -1 3 388.464 3.160 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nnn1-c1ccccc1Cl ZINC000103638434 1410870457 /nfs/dbraw/zinc/87/04/57/1410870457.db2.gz AOBDUQMHMXWWJX-HNNXBMFYSA-N -1 3 393.834 3.499 20 30 GGEDHM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)NC1=O ZINC000103796664 1410875364 /nfs/dbraw/zinc/87/53/64/1410875364.db2.gz UIQAXPYRVQZPAZ-BXKDBHETSA-N -1 3 375.306 3.310 20 30 GGEDHM CC1CCN(S(=O)(=O)c2ccc(C([O-])=C(C#N)c3ccccn3)s2)CC1 ZINC000106983726 1411333023 /nfs/dbraw/zinc/33/30/23/1411333023.db2.gz ZZZIDXMNZRGNKY-CQSZACIVSA-N -1 3 389.502 3.054 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(OC)c(OC)c(OC)c1 ZINC000108068920 1411435685 /nfs/dbraw/zinc/43/56/85/1411435685.db2.gz GVXYSXFIANRAFD-CQSZACIVSA-N -1 3 398.415 3.072 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc2cccnc21 ZINC000109184602 1411706447 /nfs/dbraw/zinc/70/64/47/1411706447.db2.gz NYGMVCGOGDOIOC-QGZVFWFLSA-N -1 3 396.410 3.085 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3ccc(C)cc32)ccc1F ZINC000110394350 1411848466 /nfs/dbraw/zinc/84/84/66/1411848466.db2.gz KZRPLRFNGUGDAG-UHFFFAOYSA-N -1 3 388.464 3.191 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(Br)cs1 ZINC000113057355 1412257861 /nfs/dbraw/zinc/25/78/61/1412257861.db2.gz ALEPNXSAWAOGJJ-UHFFFAOYSA-N -1 3 395.278 3.363 20 30 GGEDHM CC(=O)c1cc(F)cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1[O-] ZINC000177242414 1428647636 /nfs/dbraw/zinc/64/76/36/1428647636.db2.gz RQOFZEULDPXVLM-UHFFFAOYSA-N -1 3 381.451 3.313 20 30 GGEDHM Cc1nc(-c2cnn(C)c2)sc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000115903726 1412813823 /nfs/dbraw/zinc/81/38/23/1412813823.db2.gz PEQDQSGPTMRRCX-HNNXBMFYSA-N -1 3 379.445 3.122 20 30 GGEDHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(C#Cc3ccccn3)c2)c([O-])c1 ZINC000116773378 1412920780 /nfs/dbraw/zinc/92/07/80/1412920780.db2.gz IVEYKVIYQVYARG-UHFFFAOYSA-N -1 3 399.450 3.254 20 30 GGEDHM Cc1nccc(-c2cccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2)n1 ZINC000116868452 1412945186 /nfs/dbraw/zinc/94/51/86/1412945186.db2.gz GTBCJDRFTWAFKV-UHFFFAOYSA-N -1 3 387.443 3.200 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000118246198 1413135093 /nfs/dbraw/zinc/13/50/93/1413135093.db2.gz XEOWLRDXSBIKMS-KRWDZBQOSA-N -1 3 395.356 3.355 20 30 GGEDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000118634966 1413200028 /nfs/dbraw/zinc/20/00/28/1413200028.db2.gz SUOYGYMLFDVXSK-UHFFFAOYSA-N -1 3 388.811 3.305 20 30 GGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2sccc2C#N)ccc1F ZINC000119459204 1413454770 /nfs/dbraw/zinc/45/47/70/1413454770.db2.gz NAIKSDQISKMRBO-UHFFFAOYSA-N -1 3 381.454 3.088 20 30 GGEDHM CCCCCCCCc1nnc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)s1 ZINC000119952113 1413630140 /nfs/dbraw/zinc/63/01/40/1413630140.db2.gz ZIVHFNGVHMGSTD-UHFFFAOYSA-N -1 3 377.514 3.322 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(SC(F)F)nc1 ZINC000120272813 1413762758 /nfs/dbraw/zinc/76/27/58/1413762758.db2.gz YIRVQFWKDGYMGT-UHFFFAOYSA-N -1 3 378.404 3.144 20 30 GGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)O[C@H](C)CC#N ZINC000120293029 1413770794 /nfs/dbraw/zinc/77/07/94/1413770794.db2.gz VTSAJGGRFHFQOB-CYBMUJFWSA-N -1 3 376.409 3.394 20 30 GGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)O[C@@H](C)CC#N ZINC000120292875 1413770927 /nfs/dbraw/zinc/77/09/27/1413770927.db2.gz VTSAJGGRFHFQOB-ZDUSSCGKSA-N -1 3 376.409 3.394 20 30 GGEDHM CC(C)[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000121563292 1414178215 /nfs/dbraw/zinc/17/82/15/1414178215.db2.gz UTSCJEURVPJFEZ-QGZVFWFLSA-N -1 3 376.409 3.331 20 30 GGEDHM CC(C)[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000121563460 1414178298 /nfs/dbraw/zinc/17/82/98/1414178298.db2.gz UTSCJEURVPJFEZ-KRWDZBQOSA-N -1 3 376.409 3.331 20 30 GGEDHM CC(C)[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000121563768 1414178865 /nfs/dbraw/zinc/17/88/65/1414178865.db2.gz AOHCOUSWGBZMLZ-KRWDZBQOSA-N -1 3 376.409 3.331 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)c1nc2ccccc2s1 ZINC000121802415 1414262542 /nfs/dbraw/zinc/26/25/42/1414262542.db2.gz FCJHGPZPLOYFES-LBPRGKRZSA-N -1 3 394.500 3.326 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000121859528 1414281081 /nfs/dbraw/zinc/28/10/81/1414281081.db2.gz NGFJTRIVNCUOHK-UHFFFAOYSA-N -1 3 379.504 3.452 20 30 GGEDHM C=CCOC(=O)c1sc2[n-]c(Cc3csc(CC)n3)nc(=O)c2c1C ZINC000122081047 1414357856 /nfs/dbraw/zinc/35/78/56/1414357856.db2.gz PWMLSIBQXBRYAN-UHFFFAOYSA-N -1 3 375.475 3.246 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3cccc(C)c32)ccc1F ZINC000122757093 1414557618 /nfs/dbraw/zinc/55/76/18/1414557618.db2.gz SBKULJOMFQTDCA-UHFFFAOYSA-N -1 3 388.464 3.191 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000122816603 1414572616 /nfs/dbraw/zinc/57/26/16/1414572616.db2.gz TVDQGZKDVOPDDO-RTWAWAEBSA-N -1 3 393.487 3.050 20 30 GGEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000122882561 1414587983 /nfs/dbraw/zinc/58/79/83/1414587983.db2.gz ZXPLWXDTPBHGOV-AZUAARDMSA-N -1 3 397.438 3.319 20 30 GGEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)nc2ccccc21 ZINC000123032520 1414623750 /nfs/dbraw/zinc/62/37/50/1414623750.db2.gz XTTXVNCHKGWTQQ-INIZCTEOSA-N -1 3 386.371 3.157 20 30 GGEDHM COc1ccc(C[C@H](C)CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000123313285 1414694750 /nfs/dbraw/zinc/69/47/50/1414694750.db2.gz WGBYBRGLDQCZOY-HNNXBMFYSA-N -1 3 395.503 3.142 20 30 GGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cn(Cc2cccc(F)c2)nn1 ZINC000177718126 1428841772 /nfs/dbraw/zinc/84/17/72/1428841772.db2.gz MZAHCURVKXIIMV-MRXNPFEDSA-N -1 3 397.797 3.080 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 ZINC000124164430 1414898086 /nfs/dbraw/zinc/89/80/86/1414898086.db2.gz MQJRKCVTTVTUPH-GOSISDBHSA-N -1 3 391.471 3.060 20 30 GGEDHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000124438214 1414968879 /nfs/dbraw/zinc/96/88/79/1414968879.db2.gz HMYQNNIYHKZSPR-SJKOYZFVSA-N -1 3 392.864 3.040 20 30 GGEDHM COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1N1CCNC1=O ZINC000177761576 1428852226 /nfs/dbraw/zinc/85/22/26/1428852226.db2.gz YNZMLOGWFIJLPV-CYBMUJFWSA-N -1 3 384.461 3.295 20 30 GGEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(N3CCCS3(=O)=O)cc2)n1 ZINC000177766716 1428853564 /nfs/dbraw/zinc/85/35/64/1428853564.db2.gz FVABOWZCSKYGLT-OAHLLOKOSA-N -1 3 389.502 3.296 20 30 GGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000124996356 1415088632 /nfs/dbraw/zinc/08/86/32/1415088632.db2.gz GFWDHUZRQMOYKZ-UHFFFAOYSA-N -1 3 391.468 3.363 20 30 GGEDHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c(C)o1 ZINC000177824710 1428865813 /nfs/dbraw/zinc/86/58/13/1428865813.db2.gz OBFJSAIHXPOIPK-UHFFFAOYSA-N -1 3 394.452 3.148 20 30 GGEDHM Cc1cc(NC(=O)c2ccco2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000125188213 1415126384 /nfs/dbraw/zinc/12/63/84/1415126384.db2.gz FNJXDHODEVSJDL-LBPRGKRZSA-N -1 3 394.412 3.258 20 30 GGEDHM Cc1ccc(-n2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c3c2CCC3)cc1 ZINC000125234555 1415135797 /nfs/dbraw/zinc/13/57/97/1415135797.db2.gz NPTXYGKEBITSTM-KRWDZBQOSA-N -1 3 385.427 3.026 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000125346080 1415170094 /nfs/dbraw/zinc/17/00/94/1415170094.db2.gz IGXVLRHJNZUOOR-UHFFFAOYSA-N -1 3 379.338 3.159 20 30 GGEDHM CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000820843402 1428898294 /nfs/dbraw/zinc/89/82/94/1428898294.db2.gz XXGIDXJNVGRZHR-RDTXWAMCSA-N -1 3 392.463 3.407 20 30 GGEDHM CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000820843402 1428898301 /nfs/dbraw/zinc/89/83/01/1428898301.db2.gz XXGIDXJNVGRZHR-RDTXWAMCSA-N -1 3 392.463 3.407 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](c1ncccn1)C1CCCC1 ZINC000126108307 1415360088 /nfs/dbraw/zinc/36/00/88/1415360088.db2.gz XDWDABPPZNDYFL-IBGZPJMESA-N -1 3 380.448 3.061 20 30 GGEDHM Cc1ccc(-c2nc(C(=O)[N-]c3ncn(Cc4ccc(C#N)cc4)n3)cs2)o1 ZINC000178009550 1428932733 /nfs/dbraw/zinc/93/27/33/1428932733.db2.gz KDKQKWWLDCFOPK-UHFFFAOYSA-N -1 3 390.428 3.475 20 30 GGEDHM C#CCCCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000126639052 1415513988 /nfs/dbraw/zinc/51/39/88/1415513988.db2.gz UPFCHNQOOAAENX-UHFFFAOYSA-N -1 3 380.691 3.193 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)c1ccccn1 ZINC000127421518 1415773463 /nfs/dbraw/zinc/77/34/63/1415773463.db2.gz MYZWVRZWRQBMKM-UHFFFAOYSA-N -1 3 386.455 3.424 20 30 GGEDHM CC[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000127517564 1415803950 /nfs/dbraw/zinc/80/39/50/1415803950.db2.gz FYABJLRBPBCBKC-GOSISDBHSA-N -1 3 375.425 3.049 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2Cl)n1 ZINC000127665023 1415829145 /nfs/dbraw/zinc/82/91/45/1415829145.db2.gz KQRNCQRYXJWZSZ-CYBMUJFWSA-N -1 3 394.818 3.495 20 30 GGEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cn(Cc2ccccc2)nn1 ZINC000128757097 1416060273 /nfs/dbraw/zinc/06/02/73/1416060273.db2.gz IULMZSNUUJACJU-LJQANCHMSA-N -1 3 395.422 3.441 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(-c2ccc(F)cc2)n1 ZINC000129035416 1416130406 /nfs/dbraw/zinc/13/04/06/1416130406.db2.gz DWJFXQKSYFUERI-INIZCTEOSA-N -1 3 392.390 3.371 20 30 GGEDHM N#Cc1ccc(F)cc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000129894090 1416281379 /nfs/dbraw/zinc/28/13/79/1416281379.db2.gz LSVRJDRDJFKRMU-UHFFFAOYSA-N -1 3 377.404 3.412 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccc(F)cc2)c1C ZINC000129908431 1416283139 /nfs/dbraw/zinc/28/31/39/1416283139.db2.gz XXYOFJWNCAYDKW-INIZCTEOSA-N -1 3 392.390 3.290 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000131087175 1416506779 /nfs/dbraw/zinc/50/67/79/1416506779.db2.gz PMUWZUGVSVAPEA-UHFFFAOYSA-N -1 3 378.432 3.094 20 30 GGEDHM O=C(C/N=C/c1cc(Br)ccc1[O-])Nc1ccc(-n2cccn2)cc1 ZINC000131221389 1416525703 /nfs/dbraw/zinc/52/57/03/1416525703.db2.gz RYMKCALIOQGTSD-RGVLZGJSSA-N -1 3 399.248 3.398 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Nc2c(Cl)cc(F)cc2Cl)c(F)c1 ZINC000131588892 1416580987 /nfs/dbraw/zinc/58/09/87/1416580987.db2.gz WELNCPVHXVXWCZ-UHFFFAOYSA-N -1 3 378.187 3.449 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000131810862 1416626819 /nfs/dbraw/zinc/62/68/19/1416626819.db2.gz AKPVTWXLJVHXET-GOSISDBHSA-N -1 3 394.818 3.495 20 30 GGEDHM Cn1cc(C#N)c([N-]C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)n1 ZINC000131882083 1416641249 /nfs/dbraw/zinc/64/12/49/1416641249.db2.gz HUSKODMYYWUYNM-UHFFFAOYSA-N -1 3 392.202 3.418 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)c2ccccn2)c(F)c1 ZINC000132126675 1416702332 /nfs/dbraw/zinc/70/23/32/1416702332.db2.gz FWKFLGXKDZZZHW-LJQANCHMSA-N -1 3 385.395 3.299 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(-c2cccc(F)c2F)[nH]n1 ZINC000134363130 1417061135 /nfs/dbraw/zinc/06/11/35/1417061135.db2.gz GVBAAPILTXLPND-UHFFFAOYSA-N -1 3 397.385 3.103 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000143440742 1417633614 /nfs/dbraw/zinc/63/36/14/1417633614.db2.gz NHDWJSNTZVCSSX-UHFFFAOYSA-N -1 3 396.466 3.038 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000145352297 1417686811 /nfs/dbraw/zinc/68/68/11/1417686811.db2.gz WBCVYMGQGXIELU-GCJKJVERSA-N -1 3 393.487 3.080 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000145351716 1417687111 /nfs/dbraw/zinc/68/71/11/1417687111.db2.gz WBCVYMGQGXIELU-PGRDOPGGSA-N -1 3 393.487 3.080 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1cccc(F)c1)C1CCOCC1 ZINC000150959234 1417844233 /nfs/dbraw/zinc/84/42/33/1417844233.db2.gz OWYWGUPPZLQSCD-UHFFFAOYSA-N -1 3 397.450 3.147 20 30 GGEDHM CN1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)c3cccc(c23)C1=O ZINC000178956818 1429229056 /nfs/dbraw/zinc/22/90/56/1429229056.db2.gz ZYPFGVBRLJQQQE-UHFFFAOYSA-N -1 3 381.388 3.241 20 30 GGEDHM N#CC(=C([O-])c1cncc(-c2ccc3c(c2)CCO3)c1)c1nnc2n1CCCCC2 ZINC000151735022 1418074873 /nfs/dbraw/zinc/07/48/73/1418074873.db2.gz QEZOQJXRHNVRST-LJQANCHMSA-N -1 3 399.454 3.491 20 30 GGEDHM N#CC1(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2Cl)CC1 ZINC000151826740 1418095869 /nfs/dbraw/zinc/09/58/69/1418095869.db2.gz HILMFEZUFCHPMT-UHFFFAOYSA-N -1 3 393.827 3.066 20 30 GGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cccc(OCC(F)F)n1 ZINC000179341596 1429335894 /nfs/dbraw/zinc/33/58/94/1429335894.db2.gz KOFHXVTUMXOWKD-LBPRGKRZSA-N -1 3 379.750 3.340 20 30 GGEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000179418263 1429367305 /nfs/dbraw/zinc/36/73/05/1429367305.db2.gz BNERFFGFZMRMPZ-UHFFFAOYSA-N -1 3 390.399 3.085 20 30 GGEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)C2CCCCC2)c1 ZINC000179535938 1429416614 /nfs/dbraw/zinc/41/66/14/1429416614.db2.gz HTKFFQXIZYEZLM-KRWDZBQOSA-N -1 3 382.420 3.143 20 30 GGEDHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]c1cc(C(C)(C)C)sc1C#N ZINC000179550680 1429425179 /nfs/dbraw/zinc/42/51/79/1429425179.db2.gz QXMSNRWWFFJUMI-UHFFFAOYSA-N -1 3 395.506 3.321 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(Cc2ccccc2)CCC1 ZINC000152506219 1422124056 /nfs/dbraw/zinc/12/40/56/1422124056.db2.gz PTUINFMBSLAHRB-UHFFFAOYSA-N -1 3 377.488 3.325 20 30 GGEDHM C=CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000154185558 1422852300 /nfs/dbraw/zinc/85/23/00/1422852300.db2.gz ZQFBUFWXUYASFC-UHFFFAOYSA-N -1 3 388.489 3.453 20 30 GGEDHM C=CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1C ZINC000154205343 1422854893 /nfs/dbraw/zinc/85/48/93/1422854893.db2.gz WJJFFLQUVPJEJV-UHFFFAOYSA-N -1 3 388.489 3.453 20 30 GGEDHM C#Cc1cccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)CCCC)cc2)c1 ZINC000154304335 1422869620 /nfs/dbraw/zinc/86/96/20/1422869620.db2.gz XNFUDQDJEWKZII-UHFFFAOYSA-N -1 3 392.502 3.011 20 30 GGEDHM COCCOc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000179902095 1429632168 /nfs/dbraw/zinc/63/21/68/1429632168.db2.gz SIYFHOVJTLDPIS-ZDUSSCGKSA-N -1 3 386.358 3.342 20 30 GGEDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000156007110 1423631767 /nfs/dbraw/zinc/63/17/67/1423631767.db2.gz WISFCJPQCLAYEO-UHFFFAOYSA-N -1 3 387.383 3.168 20 30 GGEDHM COc1ccc2cc(C[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)ccc2c1 ZINC000156298683 1423764167 /nfs/dbraw/zinc/76/41/67/1423764167.db2.gz IPGOMVJQQBDNJT-UHFFFAOYSA-N -1 3 397.412 3.107 20 30 GGEDHM CC(C)Oc1ccc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000156553361 1423827280 /nfs/dbraw/zinc/82/72/80/1423827280.db2.gz ANQOFXHCWRSEDO-ZDUSSCGKSA-N -1 3 389.433 3.293 20 30 GGEDHM O=C1[C@H](/N=C/c2cc(Br)ccc2[O-])CCCN1CC(F)(F)F ZINC000157196353 1423952924 /nfs/dbraw/zinc/95/29/24/1423952924.db2.gz YYITUIMBOSPWIH-FQDFOOGXSA-N -1 3 379.176 3.127 20 30 GGEDHM CN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825976601 1423997838 /nfs/dbraw/zinc/99/78/38/1423997838.db2.gz NETYSEDUDCLTQY-UHFFFAOYSA-N -1 3 398.474 3.276 20 30 GGEDHM CN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825976601 1423997846 /nfs/dbraw/zinc/99/78/46/1423997846.db2.gz NETYSEDUDCLTQY-UHFFFAOYSA-N -1 3 398.474 3.276 20 30 GGEDHM N#Cc1ccc(OC2CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1Cl ZINC001139852923 1424442437 /nfs/dbraw/zinc/44/24/37/1424442437.db2.gz AJOIQUDDMNITFA-UHFFFAOYSA-N -1 3 394.866 3.435 20 30 GGEDHM N#Cc1ccc(OC2CCN(Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1Cl ZINC001139852923 1424442440 /nfs/dbraw/zinc/44/24/40/1424442440.db2.gz AJOIQUDDMNITFA-UHFFFAOYSA-N -1 3 394.866 3.435 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000159271807 1424466601 /nfs/dbraw/zinc/46/66/01/1424466601.db2.gz NCHPNYOMFBVYDV-UTKZUKDTSA-N -1 3 393.487 3.080 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000159271674 1424467296 /nfs/dbraw/zinc/46/72/96/1424467296.db2.gz NCHPNYOMFBVYDV-LAUBAEHRSA-N -1 3 393.487 3.080 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)ccc1OC(F)F ZINC000159342461 1424490527 /nfs/dbraw/zinc/49/05/27/1424490527.db2.gz BQMRBXIIVGBRRM-UHFFFAOYSA-N -1 3 379.338 3.175 20 30 GGEDHM Cc1ccc(-c2nc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)n[n-]2)o1 ZINC000160316142 1424594454 /nfs/dbraw/zinc/59/44/54/1424594454.db2.gz BEYMJIKMVBLJDM-UHFFFAOYSA-N -1 3 392.419 3.039 20 30 GGEDHM Cc1ccc(-c2[nH]nc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2C)o1 ZINC000161587035 1424718835 /nfs/dbraw/zinc/71/88/35/1424718835.db2.gz BEUCVJCJFOOQMH-UHFFFAOYSA-N -1 3 379.420 3.035 20 30 GGEDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)c(F)c2)cc1 ZINC000161966141 1424804324 /nfs/dbraw/zinc/80/43/24/1424804324.db2.gz GLZOMBLFCGYVJE-AWEZNQCLSA-N -1 3 387.798 3.142 20 30 GGEDHM CC[C@@H](CSc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000162177508 1424823489 /nfs/dbraw/zinc/82/34/89/1424823489.db2.gz MIDMRYQNZTXBRJ-INIZCTEOSA-N -1 3 383.517 3.483 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000171225883 1425549856 /nfs/dbraw/zinc/54/98/56/1425549856.db2.gz DHCPPJMYDHWBGC-QFIPXVFZSA-N -1 3 386.455 3.097 20 30 GGEDHM CN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825961804 1425761930 /nfs/dbraw/zinc/76/19/30/1425761930.db2.gz MTUKPQUYVBGOJA-UHFFFAOYSA-N -1 3 398.474 3.276 20 30 GGEDHM CN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825961804 1425761954 /nfs/dbraw/zinc/76/19/54/1425761954.db2.gz MTUKPQUYVBGOJA-UHFFFAOYSA-N -1 3 398.474 3.276 20 30 GGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000172591024 1426102222 /nfs/dbraw/zinc/10/22/22/1426102222.db2.gz CEOBGMJQYOAKJX-KRWDZBQOSA-N -1 3 382.445 3.395 20 30 GGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OCC2CCOCC2)cc1 ZINC000172592230 1426103236 /nfs/dbraw/zinc/10/32/36/1426103236.db2.gz BSHNRFUEFSCLLC-UHFFFAOYSA-N -1 3 386.473 3.473 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3ccn(C)c3c2)ccc1F ZINC000172607073 1426111589 /nfs/dbraw/zinc/11/15/89/1426111589.db2.gz OKOWOOUQTOPHAQ-UHFFFAOYSA-N -1 3 387.436 3.034 20 30 GGEDHM COc1ccc(C#N)cc1CN(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826187085 1426132147 /nfs/dbraw/zinc/13/21/47/1426132147.db2.gz ZFHZRFREUJXNKN-UHFFFAOYSA-N -1 3 376.464 3.405 20 30 GGEDHM COc1ccc(C#N)cc1CN(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826187085 1426132150 /nfs/dbraw/zinc/13/21/50/1426132150.db2.gz ZFHZRFREUJXNKN-UHFFFAOYSA-N -1 3 376.464 3.405 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(C(C)C)s2)ccc1F ZINC000172678495 1426139996 /nfs/dbraw/zinc/13/99/96/1426139996.db2.gz XYHJWKHUUWHGOK-UHFFFAOYSA-N -1 3 383.470 3.122 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000173225460 1426409747 /nfs/dbraw/zinc/40/97/47/1426409747.db2.gz FITZOGFTOIOLNL-AWEZNQCLSA-N -1 3 397.479 3.104 20 30 GGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCC(F)(F)F)c2)c1 ZINC000173963153 1426912920 /nfs/dbraw/zinc/91/29/20/1426912920.db2.gz YBYREQJQTUWPFM-AWEZNQCLSA-N -1 3 377.322 3.292 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)ccc1F ZINC000174004192 1426938071 /nfs/dbraw/zinc/93/80/71/1426938071.db2.gz LKQBBIGCMPCDGL-LIRRHRJNSA-N -1 3 388.464 3.123 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000174948170 1427460947 /nfs/dbraw/zinc/46/09/47/1427460947.db2.gz OUPVACJKQUETGN-LBPRGKRZSA-N -1 3 375.831 3.466 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(CC2CC2)c2ccccc21 ZINC000175089971 1427540700 /nfs/dbraw/zinc/54/07/00/1427540700.db2.gz BVFDKHZUAZRPLW-UHFFFAOYSA-N -1 3 390.487 3.059 20 30 GGEDHM C=CCC[C@H](O)CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000819734361 1427760404 /nfs/dbraw/zinc/76/04/04/1427760404.db2.gz NBGOEIHBHUTLHA-FQEVSTJZSA-N -1 3 381.455 3.335 20 30 GGEDHM C=CCC[C@H](O)CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000819734361 1427760406 /nfs/dbraw/zinc/76/04/06/1427760406.db2.gz NBGOEIHBHUTLHA-FQEVSTJZSA-N -1 3 381.455 3.335 20 30 GGEDHM CCCCO[C@H]1C[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C ZINC000175695411 1427861452 /nfs/dbraw/zinc/86/14/52/1427861452.db2.gz FTDLMDIXTOJMCA-MOPGFXCFSA-N -1 3 387.524 3.238 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175867160 1427941779 /nfs/dbraw/zinc/94/17/79/1427941779.db2.gz WYZGCUPERGBOMH-LLVKDONJSA-N -1 3 388.836 3.301 20 30 GGEDHM C=CCN(CC=Cc1ccccc1[N+](=O)[O-])Cc1cccc(-c2nn[n-]n2)c1 ZINC000823904295 1428019166 /nfs/dbraw/zinc/01/91/66/1428019166.db2.gz ZWVGQXSMJKIBTK-POHAHGRESA-N -1 3 376.420 3.476 20 30 GGEDHM C=CCN(CC=Cc1ccccc1[N+](=O)[O-])Cc1cccc(-c2nnn[n-]2)c1 ZINC000823904295 1428019173 /nfs/dbraw/zinc/01/91/73/1428019173.db2.gz ZWVGQXSMJKIBTK-POHAHGRESA-N -1 3 376.420 3.476 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1CC(=O)c1cccs1 ZINC000176213511 1428171800 /nfs/dbraw/zinc/17/18/00/1428171800.db2.gz KCNKYPFVNSJFDN-HNNXBMFYSA-N -1 3 397.500 3.122 20 30 GGEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000181258798 1430257635 /nfs/dbraw/zinc/25/76/35/1430257635.db2.gz BEOMLXGPDRBKRJ-INIZCTEOSA-N -1 3 380.448 3.450 20 30 GGEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000181289076 1430263868 /nfs/dbraw/zinc/26/38/68/1430263868.db2.gz UDBNGARJBBUJGV-MRVPVSSYSA-N -1 3 392.259 3.405 20 30 GGEDHM N#CC(=C([O-])c1cnc(OCC2CC2)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000181500488 1430311440 /nfs/dbraw/zinc/31/14/40/1430311440.db2.gz XNPYBTFDSMEVBP-AWEZNQCLSA-N -1 3 385.855 3.332 20 30 GGEDHM CSc1c(F)cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000181676510 1430340023 /nfs/dbraw/zinc/34/00/23/1430340023.db2.gz HOSSEFANQPZZIH-UHFFFAOYSA-N -1 3 377.416 3.435 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@]1(C)CCCc2ccccc21 ZINC000182012684 1430396286 /nfs/dbraw/zinc/39/62/86/1430396286.db2.gz MRFKMKBOUBBFJX-HSZRJFAPSA-N -1 3 377.488 3.206 20 30 GGEDHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1(C#N)CCC1 ZINC000182222796 1430432672 /nfs/dbraw/zinc/43/26/72/1430432672.db2.gz NVGRPPLIOYMZNX-LJQANCHMSA-N -1 3 377.444 3.158 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(Cc2ccccc2)CCCC1 ZINC000182974084 1430583372 /nfs/dbraw/zinc/58/33/72/1430583372.db2.gz AGDHBAXYWARANH-UHFFFAOYSA-N -1 3 377.488 3.468 20 30 GGEDHM N#Cc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000183144862 1430628067 /nfs/dbraw/zinc/62/80/67/1430628067.db2.gz ACBLUGYIGVMSQK-JOCHJYFZSA-N -1 3 399.450 3.441 20 30 GGEDHM N#Cc1ccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000183144883 1430628124 /nfs/dbraw/zinc/62/81/24/1430628124.db2.gz ACBLUGYIGVMSQK-QFIPXVFZSA-N -1 3 399.450 3.441 20 30 GGEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cccc(C#N)c3)cs2)c1 ZINC000183302593 1430673827 /nfs/dbraw/zinc/67/38/27/1430673827.db2.gz LBDCUWOCFGYBLT-UHFFFAOYSA-N -1 3 392.440 3.462 20 30 GGEDHM CCN(C[C@@H](C)C#N)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183376220 1430694161 /nfs/dbraw/zinc/69/41/61/1430694161.db2.gz LWIYPVFTEABGTA-OXJNMPFZSA-N -1 3 379.460 3.262 20 30 GGEDHM Cc1noc(-c2ccccc2)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000183380110 1430695404 /nfs/dbraw/zinc/69/54/04/1430695404.db2.gz JMHHVGAZRUAMHW-UHFFFAOYSA-N -1 3 376.416 3.398 20 30 GGEDHM C=CCSCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183503717 1430729861 /nfs/dbraw/zinc/72/98/61/1430729861.db2.gz WAILRIQFJYQLDJ-IBGZPJMESA-N -1 3 384.501 3.289 20 30 GGEDHM CC[C@@H](CC#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000183925834 1430814276 /nfs/dbraw/zinc/81/42/76/1430814276.db2.gz XOFUYWWZFBJEIY-AWEZNQCLSA-N -1 3 389.452 3.357 20 30 GGEDHM Cc1ccc(C(=O)NCCC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c([O-])c1 ZINC000185649566 1431195598 /nfs/dbraw/zinc/19/55/98/1431195598.db2.gz QUHLEAYNJHSQSE-UHFFFAOYSA-N -1 3 379.460 3.129 20 30 GGEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CCC#N)CCC(C)C)c1 ZINC000185874872 1431259165 /nfs/dbraw/zinc/25/91/65/1431259165.db2.gz ONUYQBKRYFLFLB-UHFFFAOYSA-N -1 3 384.436 3.343 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(Cc2cccc(F)c2)CCC1 ZINC000187551611 1431764500 /nfs/dbraw/zinc/76/45/00/1431764500.db2.gz ZFCUDUJSTWCQCN-UHFFFAOYSA-N -1 3 381.451 3.217 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000187674052 1431796917 /nfs/dbraw/zinc/79/69/17/1431796917.db2.gz LIWZTMXAMXCNGA-QGZVFWFLSA-N -1 3 391.393 3.258 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000187750312 1431808123 /nfs/dbraw/zinc/80/81/23/1431808123.db2.gz DVXUGVDXVGPYBA-OALUTQOASA-N -1 3 377.488 3.324 20 30 GGEDHM CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188530067 1431892206 /nfs/dbraw/zinc/89/22/06/1431892206.db2.gz HPMDNDRVTFVCNU-UHFFFAOYSA-N -1 3 375.428 3.419 20 30 GGEDHM CN(C)[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000189219994 1432065225 /nfs/dbraw/zinc/06/52/25/1432065225.db2.gz VCMWGABMAIIDNP-INIZCTEOSA-N -1 3 377.366 3.315 20 30 GGEDHM Cc1ccc(-n2cc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cn2)c(C)c1 ZINC000190274138 1432351894 /nfs/dbraw/zinc/35/18/94/1432351894.db2.gz MARSLUIACANXIC-UHFFFAOYSA-N -1 3 389.459 3.237 20 30 GGEDHM CCc1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)c([O-])c1 ZINC000190734957 1432462330 /nfs/dbraw/zinc/46/23/30/1432462330.db2.gz LCYZVUJOKPMOOB-UHFFFAOYSA-N -1 3 386.455 3.337 20 30 GGEDHM COCCOCc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1F ZINC000190975315 1432541683 /nfs/dbraw/zinc/54/16/83/1432541683.db2.gz HTYHDNZCBDOICS-INIZCTEOSA-N -1 3 379.391 3.422 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ccn(C)c32)ccc1F ZINC000191593679 1432688675 /nfs/dbraw/zinc/68/86/75/1432688675.db2.gz JPCGGVJEMOKOPS-UHFFFAOYSA-N -1 3 387.436 3.034 20 30 GGEDHM CC(C)(C#N)c1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000193569195 1433021083 /nfs/dbraw/zinc/02/10/83/1433021083.db2.gz WVSNLEAXJQIHAP-UHFFFAOYSA-N -1 3 392.459 3.183 20 30 GGEDHM COc1ccc(-n2ccc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000193609140 1433028200 /nfs/dbraw/zinc/02/82/00/1433028200.db2.gz ULJLUVBBMQVJHL-KRWDZBQOSA-N -1 3 394.818 3.495 20 30 GGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(Br)cs2)c1 ZINC000194588367 1433202136 /nfs/dbraw/zinc/20/21/36/1433202136.db2.gz QWPCNEPNLHDOCR-GFCCVEGCSA-N -1 3 379.235 3.480 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(N(C)C)ccc2c1 ZINC000195056464 1433286374 /nfs/dbraw/zinc/28/63/74/1433286374.db2.gz QLBLAISGWPYCEC-UHFFFAOYSA-N -1 3 389.459 3.049 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000195368596 1433323417 /nfs/dbraw/zinc/32/34/17/1433323417.db2.gz CKASNTVINPBOES-UHFFFAOYSA-N -1 3 377.448 3.365 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)ccc1F ZINC000246261900 1433587357 /nfs/dbraw/zinc/58/73/57/1433587357.db2.gz ABVUNDYAOOHLQL-CKEIUWERSA-N -1 3 380.485 3.083 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)ccc1F ZINC000246261928 1433587417 /nfs/dbraw/zinc/58/74/17/1433587417.db2.gz ABVUNDYAOOHLQL-JKIFEVAISA-N -1 3 380.485 3.083 20 30 GGEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cnn(-c2ccccc2)c1 ZINC000254752702 1433871905 /nfs/dbraw/zinc/87/19/05/1433871905.db2.gz NNHNPBLSBOQZDO-UHFFFAOYSA-N -1 3 391.456 3.226 20 30 GGEDHM COc1ccc(N=Cc2cc(Br)ccc2[O-])cc1-n1nnnc1C ZINC000255393129 1433882229 /nfs/dbraw/zinc/88/22/29/1433882229.db2.gz YZLLOGUAIUXREW-UHFFFAOYSA-N -1 3 388.225 3.198 20 30 GGEDHM [O-]c1c(O)ccc(C=Nc2cc(F)c(I)c(F)c2)c1O ZINC000255421798 1433882646 /nfs/dbraw/zinc/88/26/46/1433882646.db2.gz PWBRMOBDMNAKFK-UHFFFAOYSA-N -1 3 391.111 3.437 20 30 GGEDHM CC(C)NS(=O)(=O)Cc1ccccc1C/N=C\c1cc(Cl)ccc1[O-] ZINC000255523489 1433884400 /nfs/dbraw/zinc/88/44/00/1433884400.db2.gz NTBSBDJHHPLUTL-JAIQZWGSSA-N -1 3 380.897 3.493 20 30 GGEDHM CCNC(=O)COc1ccc(C/N=C\c2cc(Cl)ccc2[O-])cc1OC ZINC000255583911 1433886011 /nfs/dbraw/zinc/88/60/11/1433886011.db2.gz XCMAIKWDNFIODZ-NHDPSOOVSA-N -1 3 376.840 3.188 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000265189690 1434197004 /nfs/dbraw/zinc/19/70/04/1434197004.db2.gz HVTXEUOIWQECED-QGZVFWFLSA-N -1 3 396.466 3.133 20 30 GGEDHM CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000266081211 1434302118 /nfs/dbraw/zinc/30/21/18/1434302118.db2.gz KXXHGIXDGWDPGQ-RBUKOAKNSA-N -1 3 385.508 3.452 20 30 GGEDHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)o1 ZINC000267569584 1434446498 /nfs/dbraw/zinc/44/64/98/1434446498.db2.gz ISJKABLBMUCIBT-LLVKDONJSA-N -1 3 393.490 3.143 20 30 GGEDHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)o1 ZINC000267569587 1434446577 /nfs/dbraw/zinc/44/65/77/1434446577.db2.gz ISJKABLBMUCIBT-NSHDSACASA-N -1 3 393.490 3.143 20 30 GGEDHM COCCc1nc2cc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)ccc2o1 ZINC000267809611 1434466895 /nfs/dbraw/zinc/46/68/95/1434466895.db2.gz SJXPMPQRPPBSJR-UHFFFAOYSA-N -1 3 394.431 3.177 20 30 GGEDHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000271517493 1434831242 /nfs/dbraw/zinc/83/12/42/1434831242.db2.gz MFOBAFISKLYFHA-JLTOFOAXSA-N -1 3 385.439 3.240 20 30 GGEDHM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000271517496 1434831261 /nfs/dbraw/zinc/83/12/61/1434831261.db2.gz MFOBAFISKLYFHA-VBKZILBWSA-N -1 3 385.439 3.240 20 30 GGEDHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3ccc(C#N)cc3)nc(=O)c2c1C ZINC000271676442 1434843375 /nfs/dbraw/zinc/84/33/75/1434843375.db2.gz OSJLQIQPBROKKH-LLVKDONJSA-N -1 3 382.445 3.214 20 30 GGEDHM COC(=O)c1sc2[n-]c(CNC3(c4cccc(C#N)c4)CC3)nc(=O)c2c1C ZINC000271860744 1434855411 /nfs/dbraw/zinc/85/54/11/1434855411.db2.gz ZGBFAFMWFZCGEC-UHFFFAOYSA-N -1 3 394.456 3.143 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1[O-] ZINC000272307245 1434885902 /nfs/dbraw/zinc/88/59/02/1434885902.db2.gz YNFRGKONYHNMMD-BTHWYHFWSA-N -1 3 394.258 3.119 20 30 GGEDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccco1 ZINC000272359728 1434890417 /nfs/dbraw/zinc/89/04/17/1434890417.db2.gz BLLVSZJLMOUQEJ-ZDUSSCGKSA-N -1 3 388.367 3.226 20 30 GGEDHM COc1cc(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)ccc1C ZINC000273797585 1435015503 /nfs/dbraw/zinc/01/55/03/1435015503.db2.gz VQYZOGPIZDSFOV-UHFFFAOYSA-N -1 3 378.432 3.352 20 30 GGEDHM CCCCc1nc(NC(=O)Cc2cccc(OCC#N)c2)c(C(=O)OCC)[n-]1 ZINC000276926709 1435243710 /nfs/dbraw/zinc/24/37/10/1435243710.db2.gz SZUMXQWTIHUYMF-UHFFFAOYSA-N -1 3 384.436 3.013 20 30 GGEDHM CCOc1cc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)ccc1O ZINC000277759149 1435327896 /nfs/dbraw/zinc/32/78/96/1435327896.db2.gz BNLHYJLHWSEMQZ-UHFFFAOYSA-N -1 3 380.404 3.215 20 30 GGEDHM CCNC(=O)Nc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000278979479 1435448181 /nfs/dbraw/zinc/44/81/81/1435448181.db2.gz PPWXPHSGJCGKEZ-UHFFFAOYSA-N -1 3 395.463 3.297 20 30 GGEDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000281498923 1435811264 /nfs/dbraw/zinc/81/12/64/1435811264.db2.gz VVAOWXRJQVADRB-UHFFFAOYSA-N -1 3 384.392 3.154 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccnc(OC(F)F)c2)no1 ZINC000282300709 1435842234 /nfs/dbraw/zinc/84/22/34/1435842234.db2.gz MEJRQOORMITFOL-UHFFFAOYSA-N -1 3 387.346 3.107 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000282343431 1435843861 /nfs/dbraw/zinc/84/38/61/1435843861.db2.gz UHZCVBYAYSIMEJ-DGGJZMOXSA-N -1 3 397.519 3.405 20 30 GGEDHM Fc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1Br ZINC000826373962 1443527375 /nfs/dbraw/zinc/52/73/75/1443527375.db2.gz GWPMRFXVGARTJI-UHFFFAOYSA-N -1 3 396.611 3.263 20 30 GGEDHM C=CCN(CCc1ccco1)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823910153 1446768362 /nfs/dbraw/zinc/76/83/62/1446768362.db2.gz XZEQIZDNJANNPF-UHFFFAOYSA-N -1 3 389.463 3.091 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(OC)c(OCC)c1 ZINC000823915086 1447276676 /nfs/dbraw/zinc/27/66/76/1447276676.db2.gz RVEYPGMFRJELHC-UHFFFAOYSA-N -1 3 379.464 3.462 20 30 GGEDHM C=CCc1cc(OC)cc(CN(CC=C)Cc2cccc(-c3nn[n-]n3)c2)c1O ZINC000823936997 1450305411 /nfs/dbraw/zinc/30/54/11/1450305411.db2.gz DDXNAFJPVFLQAM-UHFFFAOYSA-N -1 3 391.475 3.498 20 30 GGEDHM C=CCc1cc(OC)cc(CN(CC=C)Cc2cccc(-c3nnn[n-]3)c2)c1O ZINC000823936997 1450305416 /nfs/dbraw/zinc/30/54/16/1450305416.db2.gz DDXNAFJPVFLQAM-UHFFFAOYSA-N -1 3 391.475 3.498 20 30 GGEDHM Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC000737463697 945072126 /nfs/dbraw/zinc/07/21/26/945072126.db2.gz ZVGQZCBVOVGUNF-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC000737463697 945072135 /nfs/dbraw/zinc/07/21/35/945072135.db2.gz ZVGQZCBVOVGUNF-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC000908945625 939360337 /nfs/dbraw/zinc/36/03/37/939360337.db2.gz CZVVKHXQQBZSGL-MRXNPFEDSA-N -1 3 399.413 3.171 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC000908946073 939360727 /nfs/dbraw/zinc/36/07/27/939360727.db2.gz IDMSLIBOTDYIDU-INIZCTEOSA-N -1 3 399.413 3.171 20 30 GGEDHM O=[N+]([O-])c1cccc(-c2nc(C=NNc3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000738367022 945263937 /nfs/dbraw/zinc/26/39/37/945263937.db2.gz NPNSIMIJHHPJJG-UHFFFAOYSA-N -1 3 392.404 3.344 20 30 GGEDHM Brc1ccccc1C=NOCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000819689142 945270009 /nfs/dbraw/zinc/27/00/09/945270009.db2.gz WKFUNPQPXZBSOW-UHFFFAOYSA-N -1 3 397.236 3.433 20 30 GGEDHM Brc1ccccc1C=NOCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000819689142 945270014 /nfs/dbraw/zinc/27/00/14/945270014.db2.gz WKFUNPQPXZBSOW-UHFFFAOYSA-N -1 3 397.236 3.433 20 30 GGEDHM N#CCc1ccc(OCc2cccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c2)cc1 ZINC000822813978 946194788 /nfs/dbraw/zinc/19/47/88/946194788.db2.gz AQEPCWJMDOOKDN-UHFFFAOYSA-N -1 3 399.414 3.092 20 30 GGEDHM N#CCc1ccc(OCc2cccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c2)cc1 ZINC000822813978 946194800 /nfs/dbraw/zinc/19/48/00/946194800.db2.gz AQEPCWJMDOOKDN-UHFFFAOYSA-N -1 3 399.414 3.092 20 30 GGEDHM c1cnc(C(CC2CCCCC2)=NNCc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000823809344 946484160 /nfs/dbraw/zinc/48/41/60/946484160.db2.gz LFQBQXDIHBONKQ-UHFFFAOYSA-N -1 3 376.468 3.121 20 30 GGEDHM c1cnc(C(CC2CCCCC2)=NNCc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823809344 946484165 /nfs/dbraw/zinc/48/41/65/946484165.db2.gz LFQBQXDIHBONKQ-UHFFFAOYSA-N -1 3 376.468 3.121 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc(Br)n1 ZINC000823914423 946514157 /nfs/dbraw/zinc/51/41/57/946514157.db2.gz IMXLOXOOADTBQP-UHFFFAOYSA-N -1 3 385.269 3.212 20 30 GGEDHM C#C[C@H](NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1)c1ccc(F)cc1 ZINC001573279462 946640653 /nfs/dbraw/zinc/64/06/53/946640653.db2.gz HIVXGPGFRXEWSY-IBGZPJMESA-N -1 3 389.434 3.308 20 30 GGEDHM C#C[C@H](NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1)c1ccc(F)cc1 ZINC001573279462 946640659 /nfs/dbraw/zinc/64/06/59/946640659.db2.gz HIVXGPGFRXEWSY-IBGZPJMESA-N -1 3 389.434 3.308 20 30 GGEDHM C#C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001573279911 946650997 /nfs/dbraw/zinc/65/09/97/946650997.db2.gz LSGLFYKQTBFJPW-FZKQIMNGSA-N -1 3 378.411 3.083 20 30 GGEDHM C#C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001573279911 946651001 /nfs/dbraw/zinc/65/10/01/946651001.db2.gz LSGLFYKQTBFJPW-FZKQIMNGSA-N -1 3 378.411 3.083 20 30 GGEDHM C#C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1)C(C)C ZINC001573279978 946653307 /nfs/dbraw/zinc/65/33/07/946653307.db2.gz MCIVYQWEBFFKHM-QGZVFWFLSA-N -1 3 376.420 3.438 20 30 GGEDHM C#C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1)C(C)C ZINC001573279978 946653309 /nfs/dbraw/zinc/65/33/09/946653309.db2.gz MCIVYQWEBFFKHM-QGZVFWFLSA-N -1 3 376.420 3.438 20 30 GGEDHM C#C[C@H](Nc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21)c1ccc(F)cc1 ZINC001573281247 946675048 /nfs/dbraw/zinc/67/50/48/946675048.db2.gz WSNQUBPNKSRKFI-AWEZNQCLSA-N -1 3 398.323 3.180 20 30 GGEDHM C#C[C@H](Nc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21)c1ccc(F)cc1 ZINC001573281247 946675056 /nfs/dbraw/zinc/67/50/56/946675056.db2.gz WSNQUBPNKSRKFI-AWEZNQCLSA-N -1 3 398.323 3.180 20 30 GGEDHM C#C[C@H](NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(C)(C)C ZINC001573281438 946676647 /nfs/dbraw/zinc/67/66/47/946676647.db2.gz YVFGDZJZRXNAGF-IBGZPJMESA-N -1 3 389.459 3.223 20 30 GGEDHM C#C[C@H](NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(C)(C)C ZINC001573281438 946676656 /nfs/dbraw/zinc/67/66/56/946676656.db2.gz YVFGDZJZRXNAGF-IBGZPJMESA-N -1 3 389.459 3.223 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(CC(C)C)C(C)C ZINC001573281964 946682136 /nfs/dbraw/zinc/68/21/36/946682136.db2.gz CKUPTKMVYZFKGE-UHFFFAOYSA-N -1 3 392.511 3.409 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(CC(C)C)C(C)C ZINC001573281964 946682141 /nfs/dbraw/zinc/68/21/41/946682141.db2.gz CKUPTKMVYZFKGE-UHFFFAOYSA-N -1 3 392.511 3.409 20 30 GGEDHM C#CCCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCCC1(C)C ZINC001573282627 946695283 /nfs/dbraw/zinc/69/52/83/946695283.db2.gz LTZZKECMYYPRMQ-UHFFFAOYSA-N -1 3 390.495 3.308 20 30 GGEDHM C#CCCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCCC1(C)C ZINC001573282627 946695290 /nfs/dbraw/zinc/69/52/90/946695290.db2.gz LTZZKECMYYPRMQ-UHFFFAOYSA-N -1 3 390.495 3.308 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(CC)C[C@H](C)CC ZINC001573282688 946695491 /nfs/dbraw/zinc/69/54/91/946695491.db2.gz MWRHRRQUMOHURI-MRXNPFEDSA-N -1 3 392.511 3.411 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(CC)C[C@H](C)CC ZINC001573282688 946695495 /nfs/dbraw/zinc/69/54/95/946695495.db2.gz MWRHRRQUMOHURI-MRXNPFEDSA-N -1 3 392.511 3.411 20 30 GGEDHM C#CCCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573282769 946698000 /nfs/dbraw/zinc/69/80/00/946698000.db2.gz NZFICCGZNZWXRW-UHFFFAOYSA-N -1 3 392.511 3.097 20 30 GGEDHM C#CCCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573282769 946698004 /nfs/dbraw/zinc/69/80/04/946698004.db2.gz NZFICCGZNZWXRW-UHFFFAOYSA-N -1 3 392.511 3.097 20 30 GGEDHM C#CCCCCn1c(C2CCC2)nnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573283373 946713295 /nfs/dbraw/zinc/71/32/95/946713295.db2.gz SFWUPRJKARVDBT-UHFFFAOYSA-N -1 3 390.495 3.166 20 30 GGEDHM C#CCCCCn1c(C2CCC2)nnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573283373 946713303 /nfs/dbraw/zinc/71/33/03/946713303.db2.gz SFWUPRJKARVDBT-UHFFFAOYSA-N -1 3 390.495 3.166 20 30 GGEDHM C#CCCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(CC)CC(=C)C ZINC001573283564 946719846 /nfs/dbraw/zinc/71/98/46/946719846.db2.gz VHZXJHLWHMFQKD-UHFFFAOYSA-N -1 3 390.495 3.331 20 30 GGEDHM C#CCCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(CC)CC(=C)C ZINC001573283564 946719853 /nfs/dbraw/zinc/71/98/53/946719853.db2.gz VHZXJHLWHMFQKD-UHFFFAOYSA-N -1 3 390.495 3.331 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@H](C)[C@H]1CC ZINC001573283669 946721895 /nfs/dbraw/zinc/72/18/95/946721895.db2.gz WQENJHUULWRCAZ-MAUKXSAKSA-N -1 3 390.495 3.163 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@H](C)[C@H]1CC ZINC001573283669 946721904 /nfs/dbraw/zinc/72/19/04/946721904.db2.gz WQENJHUULWRCAZ-MAUKXSAKSA-N -1 3 390.495 3.163 20 30 GGEDHM C#CCO[C@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC001573288651 946874537 /nfs/dbraw/zinc/87/45/37/946874537.db2.gz WYWVWHXKMMEXLX-GFCCVEGCSA-N -1 3 397.822 3.289 20 30 GGEDHM C#CCO[C@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001573288651 946874550 /nfs/dbraw/zinc/87/45/50/946874550.db2.gz WYWVWHXKMMEXLX-GFCCVEGCSA-N -1 3 397.822 3.289 20 30 GGEDHM C#CCO[C@@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC001573288653 946874902 /nfs/dbraw/zinc/87/49/02/946874902.db2.gz WYWVWHXKMMEXLX-LBPRGKRZSA-N -1 3 397.822 3.289 20 30 GGEDHM C#CCO[C@@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001573288653 946874911 /nfs/dbraw/zinc/87/49/11/946874911.db2.gz WYWVWHXKMMEXLX-LBPRGKRZSA-N -1 3 397.822 3.289 20 30 GGEDHM CC(=O)c1ccc(OC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001573556563 946929798 /nfs/dbraw/zinc/92/97/98/946929798.db2.gz SAKWIDDABYVJIS-CQSZACIVSA-N -1 3 395.806 3.011 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001573293675 946964725 /nfs/dbraw/zinc/96/47/25/946964725.db2.gz FYPWTRSMJYRZMG-CABCVRRESA-N -1 3 378.484 3.184 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001573293675 946964727 /nfs/dbraw/zinc/96/47/27/946964727.db2.gz FYPWTRSMJYRZMG-CABCVRRESA-N -1 3 378.484 3.184 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001573293943 946971726 /nfs/dbraw/zinc/97/17/26/946971726.db2.gz OUWJBPQOCAVSNT-GJZGRUSLSA-N -1 3 378.484 3.326 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001573293943 946971734 /nfs/dbraw/zinc/97/17/34/946971734.db2.gz OUWJBPQOCAVSNT-GJZGRUSLSA-N -1 3 378.484 3.326 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001573293945 946972945 /nfs/dbraw/zinc/97/29/45/946972945.db2.gz OUWJBPQOCAVSNT-LSDHHAIUSA-N -1 3 378.484 3.326 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001573293945 946972957 /nfs/dbraw/zinc/97/29/57/946972957.db2.gz OUWJBPQOCAVSNT-LSDHHAIUSA-N -1 3 378.484 3.326 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573296149 947040896 /nfs/dbraw/zinc/04/08/96/947040896.db2.gz ZBHFNZWUJNOIGF-UHFFFAOYSA-N -1 3 390.451 3.239 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573296149 947040907 /nfs/dbraw/zinc/04/09/07/947040907.db2.gz ZBHFNZWUJNOIGF-UHFFFAOYSA-N -1 3 390.451 3.239 20 30 GGEDHM C=C1CCC(CNC(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)CC1 ZINC001573296746 947054440 /nfs/dbraw/zinc/05/44/40/947054440.db2.gz ZMPNJGUFXOPFLE-UHFFFAOYSA-N -1 3 386.525 3.142 20 30 GGEDHM C=C1CCC(CNC(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)CC1 ZINC001573296746 947054453 /nfs/dbraw/zinc/05/44/53/947054453.db2.gz ZMPNJGUFXOPFLE-UHFFFAOYSA-N -1 3 386.525 3.142 20 30 GGEDHM C=C1CCC(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CC1 ZINC001573296719 947054537 /nfs/dbraw/zinc/05/45/37/947054537.db2.gz YKMMLTUJTGBKMO-UHFFFAOYSA-N -1 3 396.430 3.059 20 30 GGEDHM CCOc1ccc([N+](=O)[O-])cc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825643771 947270562 /nfs/dbraw/zinc/27/05/62/947270562.db2.gz UDWXSFIYYHFWDE-QPJJXVBHSA-N -1 3 383.339 3.209 20 30 GGEDHM CCOc1ccc([N+](=O)[O-])cc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825643771 947270572 /nfs/dbraw/zinc/27/05/72/947270572.db2.gz UDWXSFIYYHFWDE-QPJJXVBHSA-N -1 3 383.339 3.209 20 30 GGEDHM C=CCC(C)(C)CNC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001573318357 947306894 /nfs/dbraw/zinc/30/68/94/947306894.db2.gz AVJHRVOPXGSBLM-UHFFFAOYSA-N -1 3 391.479 3.206 20 30 GGEDHM C=CCC(C)(C)CNC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001573318357 947306915 /nfs/dbraw/zinc/30/69/15/947306915.db2.gz AVJHRVOPXGSBLM-UHFFFAOYSA-N -1 3 391.479 3.206 20 30 GGEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001573329729 947425047 /nfs/dbraw/zinc/42/50/47/947425047.db2.gz NWGOLLAKLQAYKA-CRAIPNDOSA-N -1 3 391.479 3.226 20 30 GGEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001573329729 947425054 /nfs/dbraw/zinc/42/50/54/947425054.db2.gz NWGOLLAKLQAYKA-CRAIPNDOSA-N -1 3 391.479 3.226 20 30 GGEDHM C=CCCCCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001573334598 947458971 /nfs/dbraw/zinc/45/89/71/947458971.db2.gz FQOOLVRVITWVBK-UHFFFAOYSA-N -1 3 398.446 3.450 20 30 GGEDHM C=CCCC[C@@H](NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001573334954 947467638 /nfs/dbraw/zinc/46/76/38/947467638.db2.gz JVMVENNAHMJPSD-LJQANCHMSA-N -1 3 397.504 3.384 20 30 GGEDHM C=CCCC[C@@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001573334954 947467642 /nfs/dbraw/zinc/46/76/42/947467642.db2.gz JVMVENNAHMJPSD-LJQANCHMSA-N -1 3 397.504 3.384 20 30 GGEDHM C=CCCCCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001573335492 947479784 /nfs/dbraw/zinc/47/97/84/947479784.db2.gz PMUSTGDXMODTQJ-UHFFFAOYSA-N -1 3 383.905 3.325 20 30 GGEDHM C=CCCCCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001573335492 947479787 /nfs/dbraw/zinc/47/97/87/947479787.db2.gz PMUSTGDXMODTQJ-UHFFFAOYSA-N -1 3 383.905 3.325 20 30 GGEDHM C=CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)OC1CCCC1 ZINC001573335774 947487215 /nfs/dbraw/zinc/48/72/15/947487215.db2.gz UOOPKHOVXJMACE-UHFFFAOYSA-N -1 3 394.483 3.402 20 30 GGEDHM C=CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)OC1CCCC1 ZINC001573335774 947487226 /nfs/dbraw/zinc/48/72/26/947487226.db2.gz UOOPKHOVXJMACE-UHFFFAOYSA-N -1 3 394.483 3.402 20 30 GGEDHM C=CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCCCCC1 ZINC001573335942 947495014 /nfs/dbraw/zinc/49/50/14/947495014.db2.gz XNKVXCMGYJUZKY-UHFFFAOYSA-N -1 3 378.484 3.472 20 30 GGEDHM C=CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCCCCC1 ZINC001573335942 947495024 /nfs/dbraw/zinc/49/50/24/947495024.db2.gz XNKVXCMGYJUZKY-UHFFFAOYSA-N -1 3 378.484 3.472 20 30 GGEDHM C=CCN(CC(=O)NCCCC1CCCCC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573340952 947525524 /nfs/dbraw/zinc/52/55/24/947525524.db2.gz FBAVUDSVZWAWET-UHFFFAOYSA-N -1 3 396.539 3.331 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC001573341124 947528192 /nfs/dbraw/zinc/52/81/92/947528192.db2.gz IAIKYYXFBLNDAA-UHFFFAOYSA-N -1 3 389.459 3.409 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC001573341124 947528205 /nfs/dbraw/zinc/52/82/05/947528205.db2.gz IAIKYYXFBLNDAA-UHFFFAOYSA-N -1 3 389.459 3.409 20 30 GGEDHM C=CCCSCCNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001573341463 947530196 /nfs/dbraw/zinc/53/01/96/947530196.db2.gz NDWXVCMSYVRNNT-UHFFFAOYSA-N -1 3 376.486 3.085 20 30 GGEDHM C=CCCSCCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001573341463 947530201 /nfs/dbraw/zinc/53/02/01/947530201.db2.gz NDWXVCMSYVRNNT-UHFFFAOYSA-N -1 3 376.486 3.085 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)cnc1OCC ZINC001573341327 947531373 /nfs/dbraw/zinc/53/13/73/947531373.db2.gz LKOOXNUFMSNOTF-UHFFFAOYSA-N -1 3 393.451 3.189 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)cnc1OCC ZINC001573341327 947531378 /nfs/dbraw/zinc/53/13/78/947531378.db2.gz LKOOXNUFMSNOTF-UHFFFAOYSA-N -1 3 393.451 3.189 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)CSC(F)(F)F ZINC001573341744 947536263 /nfs/dbraw/zinc/53/62/63/947536263.db2.gz PXJANDIHGYWQFH-LLVKDONJSA-N -1 3 385.415 3.270 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)CSC(F)(F)F ZINC001573341744 947536276 /nfs/dbraw/zinc/53/62/76/947536276.db2.gz PXJANDIHGYWQFH-LLVKDONJSA-N -1 3 385.415 3.270 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(SCC#N)c1 ZINC001573342480 947540839 /nfs/dbraw/zinc/54/08/39/947540839.db2.gz ZBIMXEAGBTZLJW-UHFFFAOYSA-N -1 3 390.472 3.311 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(SCC#N)c1 ZINC001573342480 947540850 /nfs/dbraw/zinc/54/08/50/947540850.db2.gz ZBIMXEAGBTZLJW-UHFFFAOYSA-N -1 3 390.472 3.311 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1OCc2ccccc21 ZINC001573342456 947541684 /nfs/dbraw/zinc/54/16/84/947541684.db2.gz YTSFSSFDMBQJCD-LJQANCHMSA-N -1 3 375.432 3.043 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H]1OCc2ccccc21 ZINC001573342456 947541690 /nfs/dbraw/zinc/54/16/90/947541690.db2.gz YTSFSSFDMBQJCD-LJQANCHMSA-N -1 3 375.432 3.043 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001573347395 947574832 /nfs/dbraw/zinc/57/48/32/947574832.db2.gz DEUFVLWYXUKDHY-VLIAUNLRSA-N -1 3 376.468 3.080 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001573347395 947574839 /nfs/dbraw/zinc/57/48/39/947574839.db2.gz DEUFVLWYXUKDHY-VLIAUNLRSA-N -1 3 376.468 3.080 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)cc1OC ZINC001573347836 947577527 /nfs/dbraw/zinc/57/75/27/947577527.db2.gz IIZGVVFMNPBXFQ-SOFGYWHQSA-N -1 3 391.431 3.400 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)cc1OC ZINC001573347836 947577530 /nfs/dbraw/zinc/57/75/30/947577530.db2.gz IIZGVVFMNPBXFQ-SOFGYWHQSA-N -1 3 391.431 3.400 20 30 GGEDHM C=CCn1c(C(C)C)nnc1N1CCC[C@H](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573348033 947578674 /nfs/dbraw/zinc/57/86/74/947578674.db2.gz LMVCQXXTMXFGQK-QGZVFWFLSA-N -1 3 392.511 3.227 20 30 GGEDHM C=CCn1c(C(C)C)nnc1N1CCC[C@H](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573348033 947578683 /nfs/dbraw/zinc/57/86/83/947578683.db2.gz LMVCQXXTMXFGQK-QGZVFWFLSA-N -1 3 392.511 3.227 20 30 GGEDHM C=CCn1c(C(C)C)nnc1N1CCC[C@@H](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573348031 947578718 /nfs/dbraw/zinc/57/87/18/947578718.db2.gz LMVCQXXTMXFGQK-KRWDZBQOSA-N -1 3 392.511 3.227 20 30 GGEDHM C=CCn1c(C(C)C)nnc1N1CCC[C@@H](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573348031 947578743 /nfs/dbraw/zinc/57/87/43/947578743.db2.gz LMVCQXXTMXFGQK-KRWDZBQOSA-N -1 3 392.511 3.227 20 30 GGEDHM C=CCOc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2NCCC)cc1 ZINC001573348270 947581157 /nfs/dbraw/zinc/58/11/57/947581157.db2.gz OIDFNTJXWFEWCN-UHFFFAOYSA-N -1 3 392.463 3.435 20 30 GGEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001573348956 947589279 /nfs/dbraw/zinc/58/92/79/947589279.db2.gz XJDOYMFNSKZYFJ-PBHICJAKSA-N -1 3 376.468 3.080 20 30 GGEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001573348956 947589287 /nfs/dbraw/zinc/58/92/87/947589287.db2.gz XJDOYMFNSKZYFJ-PBHICJAKSA-N -1 3 376.468 3.080 20 30 GGEDHM C=CCn1ncc2ccc(NC(=O)C3(c4cccc(-c5nnn[n-]5)c4)CC3)cc21 ZINC001573350264 947594633 /nfs/dbraw/zinc/59/46/33/947594633.db2.gz BIXXDHWEEWBIJX-UHFFFAOYSA-N -1 3 385.431 3.073 20 30 GGEDHM C=CCn1ncc2ccc(NC(=O)C3(c4cccc(-c5nn[n-]n5)c4)CC3)cc21 ZINC001573350264 947594638 /nfs/dbraw/zinc/59/46/38/947594638.db2.gz BIXXDHWEEWBIJX-UHFFFAOYSA-N -1 3 385.431 3.073 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C(C)C)C2 ZINC001573350479 947598849 /nfs/dbraw/zinc/59/88/49/947598849.db2.gz CDHYWMOWZQGILH-BZPMIXESSA-N -1 3 387.509 3.219 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)C)C2 ZINC001573350479 947598853 /nfs/dbraw/zinc/59/88/53/947598853.db2.gz CDHYWMOWZQGILH-BZPMIXESSA-N -1 3 387.509 3.219 20 30 GGEDHM C=CCn1cc2ccc(NC(=O)c3[nH]c4ccccc4c3-c3nnn[n-]3)cc2n1 ZINC001573351941 947624067 /nfs/dbraw/zinc/62/40/67/947624067.db2.gz XXAYEBCNDMYICY-UHFFFAOYSA-N -1 3 384.403 3.136 20 30 GGEDHM N#CC1(COC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)CC1 ZINC000826379987 948175421 /nfs/dbraw/zinc/17/54/21/948175421.db2.gz JFNXEJFUCJHKCZ-UHFFFAOYSA-N -1 3 377.429 3.478 20 30 GGEDHM N#CC1(COC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)CC1 ZINC000826379987 948175424 /nfs/dbraw/zinc/17/54/24/948175424.db2.gz JFNXEJFUCJHKCZ-UHFFFAOYSA-N -1 3 377.429 3.478 20 30 GGEDHM CC1(c2cc(NC(=O)[C@@H](C#N)Cc3ccc(-c4nn[n-]n4)cc3)no2)CCCC1 ZINC001575857437 949267068 /nfs/dbraw/zinc/26/70/68/949267068.db2.gz QTIHPRGEJVQYSV-OAHLLOKOSA-N -1 3 391.435 3.007 20 30 GGEDHM CC[C@@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC001589605991 949270159 /nfs/dbraw/zinc/27/01/59/949270159.db2.gz YJAKKKHOEHXVQZ-MGPUTAFESA-N -1 3 375.444 3.038 20 30 GGEDHM CCN(CC)[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589722967 950434814 /nfs/dbraw/zinc/43/48/14/950434814.db2.gz KTNDTRDWCVIAAA-YJBOKZPZSA-N -1 3 399.413 3.209 20 30 GGEDHM CC(C)(C)Oc1ccc(NC(=O)NCc2ccc(C#N)s2)cc1-c1nnn[n-]1 ZINC001573876537 950677223 /nfs/dbraw/zinc/67/72/23/950677223.db2.gz PSELHLFSMYJIRI-UHFFFAOYSA-N -1 3 397.464 3.299 20 30 GGEDHM CC(C)(C)Oc1ccc(NC(=O)NCc2ccc(C#N)s2)cc1-c1nn[n-]n1 ZINC001573876537 950677229 /nfs/dbraw/zinc/67/72/29/950677229.db2.gz PSELHLFSMYJIRI-UHFFFAOYSA-N -1 3 397.464 3.299 20 30 GGEDHM CC1(C)C[C@H](CNc2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)CCO1 ZINC001575639019 950849907 /nfs/dbraw/zinc/84/99/07/950849907.db2.gz MOBFCNVXWGPDFD-CQSZACIVSA-N -1 3 395.511 3.409 20 30 GGEDHM CC1(C)C[C@H](CNc2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)CCO1 ZINC001575639019 950849930 /nfs/dbraw/zinc/84/99/30/950849930.db2.gz MOBFCNVXWGPDFD-CQSZACIVSA-N -1 3 395.511 3.409 20 30 GGEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC001575187683 952444092 /nfs/dbraw/zinc/44/40/92/952444092.db2.gz DWXYPTHVAPVPQS-CYBMUJFWSA-N -1 3 383.415 3.104 20 30 GGEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC001575187683 952444097 /nfs/dbraw/zinc/44/40/97/952444097.db2.gz DWXYPTHVAPVPQS-CYBMUJFWSA-N -1 3 383.415 3.104 20 30 GGEDHM C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589300006 953686509 /nfs/dbraw/zinc/68/65/09/953686509.db2.gz QIHSAOSOAAOCSC-ZGVCAFERSA-N -1 3 397.519 3.106 20 30 GGEDHM N#Cc1ccccc1CSCCNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001594632158 956350655 /nfs/dbraw/zinc/35/06/55/956350655.db2.gz RXMXJVWRYVVQHV-KRWDZBQOSA-N -1 3 399.516 3.475 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588464398 958491563 /nfs/dbraw/zinc/49/15/63/958491563.db2.gz PAJRUMAWOLSXRD-LSTHTHJFSA-N -1 3 398.528 3.451 20 30 GGEDHM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(Cc3ccc(C#N)cc3C(F)(F)F)C2)cn1 ZINC000873646202 969361544 /nfs/dbraw/zinc/36/15/44/969361544.db2.gz YMZOZBDLBMYIPW-CABCVRRESA-N -1 3 392.381 3.001 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001592225767 977412836 /nfs/dbraw/zinc/41/28/36/977412836.db2.gz NNTFVWCNIPOETR-CQSZACIVSA-N -1 3 390.509 3.094 20 30 GGEDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1C#N ZINC000756346369 978698388 /nfs/dbraw/zinc/69/83/88/978698388.db2.gz DDKBEONYCDYPLV-INIZCTEOSA-N -1 3 375.222 3.245 20 30 GGEDHM C=CCCC[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000910916466 982163221 /nfs/dbraw/zinc/16/32/21/982163221.db2.gz WBMUIYGOYBWTBH-APWZRJJASA-N -1 3 398.425 3.367 20 30 GGEDHM C#CCN(CC1(CC(=O)[O-])CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001588467952 983499550 /nfs/dbraw/zinc/49/95/50/983499550.db2.gz IOJYWOIXKSTRDA-OAHLLOKOSA-N -1 3 378.266 3.463 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CC1 ZINC001588584724 983662043 /nfs/dbraw/zinc/66/20/43/983662043.db2.gz DAJWUTLIYAPJPS-UHFFFAOYSA-N -1 3 385.464 3.013 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)CC1 ZINC001588584772 983662183 /nfs/dbraw/zinc/66/21/83/983662183.db2.gz HBPQTMYNGXSWHA-UHFFFAOYSA-N -1 3 399.535 3.389 20 30 GGEDHM C=C[C@@H](C(=O)[O-])N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588670066 983817613 /nfs/dbraw/zinc/81/76/13/983817613.db2.gz VETGHELBCDPCEP-BBWFWOEESA-N -1 3 378.444 3.148 20 30 GGEDHM C=CC[C@H](C(=O)[O-])N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001588729459 983989950 /nfs/dbraw/zinc/98/99/50/983989950.db2.gz KORAQLXHCDEJRN-OAQYLSRUSA-N -1 3 394.471 3.053 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001588831732 984316633 /nfs/dbraw/zinc/31/66/33/984316633.db2.gz MHKMGBFIJLPNTA-VGOFRKELSA-N -1 3 398.528 3.380 20 30 GGEDHM C=CCn1c(CCN2CCCCC2)nnc1SCc1ccoc1C(=O)[O-] ZINC001588900301 984520513 /nfs/dbraw/zinc/52/05/13/984520513.db2.gz FGYPISYLMOZELT-UHFFFAOYSA-N -1 3 376.482 3.076 20 30 GGEDHM C=CCn1c(CCN2CCCCC2)nnc1SCc1ccccc1C(=O)[O-] ZINC001588901398 984524040 /nfs/dbraw/zinc/52/40/40/984524040.db2.gz VUMLPTKOGKOWDA-UHFFFAOYSA-N -1 3 386.521 3.483 20 30 GGEDHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCCOc1ccc(C#N)cc1 ZINC001594570777 986397555 /nfs/dbraw/zinc/39/75/55/986397555.db2.gz UUMNTJOFDVBWFA-QGZVFWFLSA-N -1 3 379.460 3.236 20 30 GGEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC001593195546 994148258 /nfs/dbraw/zinc/14/82/58/994148258.db2.gz QMGRCJVZHPCDQN-IFXJQAMLSA-N -1 3 379.416 3.381 20 30 GGEDHM C[C@H](Oc1ccccc1CN1CCCN(c2ccccc2C#N)CC1)C(=O)[O-] ZINC001593645701 995977583 /nfs/dbraw/zinc/97/75/83/995977583.db2.gz LNRAEFPCHZDBBX-KRWDZBQOSA-N -1 3 379.460 3.122 20 30 GGEDHM C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001594292782 999129542 /nfs/dbraw/zinc/12/95/42/999129542.db2.gz UGERWSHTWPAIOQ-SZGUHOMWSA-N -1 3 397.519 3.034 20 30 GGEDHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000426758433 1126088448 /nfs/dbraw/zinc/08/84/48/1126088448.db2.gz HZZXCRYCTIZROI-NSHDSACASA-N -1 3 399.266 3.303 20 30 GGEDHM O=C(COc1ccc(F)cc1Br)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036744362 527586799 /nfs/dbraw/zinc/58/67/99/527586799.db2.gz AEJVETYUEPKKHP-UHFFFAOYSA-N -1 3 383.099 3.392 20 30 GGEDHM O=C(COc1ccc(F)cc1Br)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036744362 527586804 /nfs/dbraw/zinc/58/68/04/527586804.db2.gz AEJVETYUEPKKHP-UHFFFAOYSA-N -1 3 383.099 3.392 20 30 GGEDHM C=CC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000116852917 564218159 /nfs/dbraw/zinc/21/81/59/564218159.db2.gz LPZQPVBPFHTMBV-VIFPVBQESA-N -1 3 377.293 3.129 20 30 GGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000116905864 564219644 /nfs/dbraw/zinc/21/96/44/564219644.db2.gz VASFTURGZAEHKC-QMMMGPOBSA-N -1 3 383.105 3.455 20 30 GGEDHM C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000116979800 564220717 /nfs/dbraw/zinc/22/07/17/564220717.db2.gz YLXHLHWFDUZONP-UHFFFAOYSA-N -1 3 380.853 3.071 20 30 GGEDHM C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1 ZINC000116979527 564220754 /nfs/dbraw/zinc/22/07/54/564220754.db2.gz DOWPWCQICHUQIW-UHFFFAOYSA-N -1 3 380.853 3.071 20 30 GGEDHM C=C(C)C[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000119157942 564257030 /nfs/dbraw/zinc/25/70/30/564257030.db2.gz YHSCZGBAUQUKDU-UHFFFAOYSA-N -1 3 383.105 3.374 20 30 GGEDHM C[C@](C#N)(NC(=O)CSc1nnc([N-]c2ccccc2F)s1)C1CC1 ZINC000010316427 564256806 /nfs/dbraw/zinc/25/68/06/564256806.db2.gz VMHZMGXVPFEXPS-MRXNPFEDSA-N -1 3 377.470 3.321 20 30 GGEDHM C=CCN(CC=C)C(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000021158409 564308769 /nfs/dbraw/zinc/30/87/69/564308769.db2.gz BYKNOCBMGXWKHC-UHFFFAOYSA-N -1 3 378.885 3.330 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cc1Cl ZINC000121100854 564353429 /nfs/dbraw/zinc/35/34/29/564353429.db2.gz LTWJLGZQBFJZCH-UHFFFAOYSA-N -1 3 385.228 3.437 20 30 GGEDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(F)cc1F ZINC000121197914 564359116 /nfs/dbraw/zinc/35/91/16/564359116.db2.gz IKOUYNPMYLYVBT-UHFFFAOYSA-N -1 3 386.763 3.077 20 30 GGEDHM C=CCC(CC=C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000121398261 564367493 /nfs/dbraw/zinc/36/74/93/564367493.db2.gz ZRCMRKIXZKDULY-UHFFFAOYSA-N -1 3 376.400 3.234 20 30 GGEDHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000030360051 564379791 /nfs/dbraw/zinc/37/97/91/564379791.db2.gz UCZXLRJPTHFKLP-NSHDSACASA-N -1 3 395.278 3.369 20 30 GGEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC000122096560 564400147 /nfs/dbraw/zinc/40/01/47/564400147.db2.gz PRRAHGYJPFIXOL-HNNXBMFYSA-N -1 3 388.221 3.108 20 30 GGEDHM CC(C)[C@@](C)(C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000122225472 564405526 /nfs/dbraw/zinc/40/55/26/564405526.db2.gz QCVOPROJSKQUQR-QGZVFWFLSA-N -1 3 385.917 3.085 20 30 GGEDHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000122672195 564422969 /nfs/dbraw/zinc/42/29/69/564422969.db2.gz FSVPZHKEJMIRGO-UHFFFAOYSA-N -1 3 378.841 3.146 20 30 GGEDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CCCCC#N ZINC000123902737 564465315 /nfs/dbraw/zinc/46/53/15/564465315.db2.gz SHXQHHFJBGKDNQ-UHFFFAOYSA-N -1 3 375.288 3.000 20 30 GGEDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000124231877 564475921 /nfs/dbraw/zinc/47/59/21/564475921.db2.gz YWLWOSAPMRBCRV-JTQLQIEISA-N -1 3 375.397 3.463 20 30 GGEDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000125648124 564521529 /nfs/dbraw/zinc/52/15/29/564521529.db2.gz FLPHKXKRTYABEZ-VIFPVBQESA-N -1 3 375.397 3.382 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000126512584 564551686 /nfs/dbraw/zinc/55/16/86/564551686.db2.gz XSGFXLHSEFZEHF-UHFFFAOYSA-N -1 3 390.877 3.209 20 30 GGEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(Br)ccc1[O-] ZINC000126670485 564557513 /nfs/dbraw/zinc/55/75/13/564557513.db2.gz IKRGACMJQKYRPB-UHFFFAOYSA-N -1 3 391.269 3.453 20 30 GGEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000054184944 564600616 /nfs/dbraw/zinc/60/06/16/564600616.db2.gz DYXGXTGLRZVAJF-SECBINFHSA-N -1 3 396.104 3.182 20 30 GGEDHM N#CC(=C([O-])c1cc(F)cc(Br)c1)c1nnc2n1CCCCC2 ZINC000054726966 564608077 /nfs/dbraw/zinc/60/80/77/564608077.db2.gz LKCJMJLWSTZFAZ-CYBMUJFWSA-N -1 3 377.217 3.396 20 30 GGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000130445794 564681386 /nfs/dbraw/zinc/68/13/86/564681386.db2.gz BHARJGHVLLUPTD-QMTHXVAHSA-N -1 3 375.263 3.339 20 30 GGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000130476407 564683093 /nfs/dbraw/zinc/68/30/93/564683093.db2.gz VQACOQVVVSHBLP-YGRLFVJLSA-N -1 3 375.263 3.339 20 30 GGEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000132235910 564737429 /nfs/dbraw/zinc/73/74/29/564737429.db2.gz UITSEZPRPUXIAJ-UHFFFAOYSA-N -1 3 391.262 3.102 20 30 GGEDHM C=C(C)COc1cccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000066727307 564773702 /nfs/dbraw/zinc/77/37/02/564773702.db2.gz MVHXDFQXDRRNAD-UHFFFAOYSA-N -1 3 380.491 3.010 20 30 GGEDHM C=CCC[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000133742942 564784197 /nfs/dbraw/zinc/78/41/97/564784197.db2.gz PQGVAJLKXAZFNL-INIZCTEOSA-N -1 3 378.519 3.240 20 30 GGEDHM N#Cc1ccc(OC2CCC([N-]S(=O)(=O)c3ccc(Cl)s3)CC2)nc1 ZINC000092269682 564876098 /nfs/dbraw/zinc/87/60/98/564876098.db2.gz VRRYLXUHJGANFM-UHFFFAOYSA-N -1 3 397.909 3.337 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Br)s2)c(F)c1 ZINC000151040513 564903563 /nfs/dbraw/zinc/90/35/63/564903563.db2.gz LYWJQUKEPFONPH-UHFFFAOYSA-N -1 3 389.271 3.042 20 30 GGEDHM CC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000102351824 564928461 /nfs/dbraw/zinc/92/84/61/564928461.db2.gz FGHJVOMSQDZFHS-ZDUSSCGKSA-N -1 3 377.853 3.173 20 30 GGEDHM O=S(=O)([N-]CCCOCC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000103154312 564944029 /nfs/dbraw/zinc/94/40/29/564944029.db2.gz YWYMGAQKXIYINU-UHFFFAOYSA-N -1 3 383.285 3.092 20 30 GGEDHM Cc1nc(C)c(CCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000108818873 565017529 /nfs/dbraw/zinc/01/75/29/565017529.db2.gz ZVWORAXMHDKYRM-AWEZNQCLSA-N -1 3 379.247 3.007 20 30 GGEDHM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000154206183 565029293 /nfs/dbraw/zinc/02/92/93/565029293.db2.gz GVFUOJVLYXOHSI-NSHDSACASA-N -1 3 375.450 3.217 20 30 GGEDHM N#Cc1cccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c1 ZINC000112628759 565065296 /nfs/dbraw/zinc/06/52/96/565065296.db2.gz XPMZUUBLQVIWHL-UHFFFAOYSA-N -1 3 382.217 3.092 20 30 GGEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112628766 565065390 /nfs/dbraw/zinc/06/53/90/565065390.db2.gz VCLNXGJMKVYLSB-UHFFFAOYSA-N -1 3 396.244 3.434 20 30 GGEDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc(F)cc3C#N)o2)cs1 ZINC000156258407 565076067 /nfs/dbraw/zinc/07/60/67/565076067.db2.gz YKAVUDLNECVNNI-UHFFFAOYSA-N -1 3 377.422 3.201 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c(Cl)c1 ZINC000183716697 565090918 /nfs/dbraw/zinc/09/09/18/565090918.db2.gz WZGQYQZKINNTMA-UHFFFAOYSA-N -1 3 381.788 3.165 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccccc2)C1 ZINC000156716990 565101980 /nfs/dbraw/zinc/10/19/80/565101980.db2.gz HBOZPKKDDGAJCV-CQSZACIVSA-N -1 3 375.881 3.016 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2)C1 ZINC000156716849 565102432 /nfs/dbraw/zinc/10/24/32/565102432.db2.gz VHUGWTIKDXQKIE-AWEZNQCLSA-N -1 3 375.881 3.016 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2)C1 ZINC000156717137 565102531 /nfs/dbraw/zinc/10/25/31/565102531.db2.gz HBOZPKKDDGAJCV-AWEZNQCLSA-N -1 3 375.881 3.016 20 30 GGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000157499870 565134186 /nfs/dbraw/zinc/13/41/86/565134186.db2.gz QSNZXDCHCVNYCW-UHFFFAOYSA-N -1 3 377.809 3.087 20 30 GGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC000184771835 565156358 /nfs/dbraw/zinc/15/63/58/565156358.db2.gz IGFXHGZMRIYDIV-UHFFFAOYSA-N -1 3 381.251 3.439 20 30 GGEDHM CC#CCC[N-]S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000158122172 565157525 /nfs/dbraw/zinc/15/75/25/565157525.db2.gz CWMFUFJZUPENMH-UHFFFAOYSA-N -1 3 395.116 3.212 20 30 GGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000184872060 565162801 /nfs/dbraw/zinc/16/28/01/565162801.db2.gz GEAQKSKTOMVFHU-UHFFFAOYSA-N -1 3 381.251 3.439 20 30 GGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000186432489 565260662 /nfs/dbraw/zinc/26/06/62/565260662.db2.gz DCIKTSHMRREUBP-QMMMGPOBSA-N -1 3 381.679 3.082 20 30 GGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000186432996 565261031 /nfs/dbraw/zinc/26/10/31/565261031.db2.gz OBPRTZRQDQRHAK-VIFPVBQESA-N -1 3 381.679 3.082 20 30 GGEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000186580485 565269883 /nfs/dbraw/zinc/26/98/83/565269883.db2.gz XSGKMVVSPNZUOR-UHFFFAOYSA-N -1 3 385.228 3.452 20 30 GGEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c1 ZINC000161152027 565274762 /nfs/dbraw/zinc/27/47/62/565274762.db2.gz ZRVQNDFBLPDUFA-AWEZNQCLSA-N -1 3 387.299 3.208 20 30 GGEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C1CCCCC1 ZINC000161176697 565276583 /nfs/dbraw/zinc/27/65/83/565276583.db2.gz NCFMCTMVQKWXFZ-ZDUSSCGKSA-N -1 3 375.263 3.339 20 30 GGEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)cc1Cl ZINC000272364895 565285567 /nfs/dbraw/zinc/28/55/67/565285567.db2.gz FVCZZTWFAAIVCX-OAHLLOKOSA-N -1 3 375.853 3.044 20 30 GGEDHM C[C@H](c1cccc(C#N)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000186859935 565291983 /nfs/dbraw/zinc/29/19/83/565291983.db2.gz HTJYVEAOUKTQKB-CQSZACIVSA-N -1 3 375.519 3.124 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000296299443 565311390 /nfs/dbraw/zinc/31/13/90/565311390.db2.gz NMSMJKNNAXEPBL-NSHDSACASA-N -1 3 382.873 3.310 20 30 GGEDHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000273619086 565327274 /nfs/dbraw/zinc/32/72/74/565327274.db2.gz VNVYJRJJIHFXJA-NWDGAFQWSA-N -1 3 376.400 3.061 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000163287047 565343003 /nfs/dbraw/zinc/34/30/03/565343003.db2.gz NWODANAFTVNALE-PBHICJAKSA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000163354817 565344000 /nfs/dbraw/zinc/34/40/00/565344000.db2.gz DFZZRUYZJIGTDD-DOTOQJQBSA-N -1 3 376.865 3.410 20 30 GGEDHM COc1cc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)cc(OC)c1[O-] ZINC000374852859 565356830 /nfs/dbraw/zinc/35/68/30/565356830.db2.gz JGKVHIUKWYSNOH-ONEGZZNKSA-N -1 3 377.443 3.411 20 30 GGEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000167047841 565377393 /nfs/dbraw/zinc/37/73/93/565377393.db2.gz QMEWGUASDOUKAL-UHFFFAOYSA-N -1 3 396.104 3.040 20 30 GGEDHM CC[C@H](C)[N-]C(=S)C(C(=O)c1c(C)noc1C)[n+]1cccc([O-])c1Cl ZINC000274733292 565379182 /nfs/dbraw/zinc/37/91/82/565379182.db2.gz DDWKILPCPCABOM-VIFPVBQESA-O -1 3 382.893 3.265 20 30 GGEDHM C#CCN(C(=O)c1csc(=O)[n-]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000375828688 565407451 /nfs/dbraw/zinc/40/74/51/565407451.db2.gz GLMJJOJDBJJSDE-CYBMUJFWSA-N -1 3 393.262 3.210 20 30 GGEDHM Cc1cc(NC([O-])=NOCc2ccc(F)cc2Br)nn1CCC#N ZINC000275751906 565425506 /nfs/dbraw/zinc/42/55/06/565425506.db2.gz NUJKVMXKZRHGAC-UHFFFAOYSA-N -1 3 396.220 3.260 20 30 GGEDHM Cc1cc(NC(=O)[N-]OCc2ccc(F)cc2Br)nn1CCC#N ZINC000275751906 565425509 /nfs/dbraw/zinc/42/55/09/565425509.db2.gz NUJKVMXKZRHGAC-UHFFFAOYSA-N -1 3 396.220 3.260 20 30 GGEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000171537594 565436112 /nfs/dbraw/zinc/43/61/12/565436112.db2.gz RISIUYBRUSVGHU-UHFFFAOYSA-N -1 3 382.835 3.288 20 30 GGEDHM C=CCN1CCC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000171537826 565436265 /nfs/dbraw/zinc/43/62/65/565436265.db2.gz LDDOYRUEGQVANC-UHFFFAOYSA-N -1 3 382.835 3.288 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H](c1ccccc1)N(C)C ZINC000189035845 565438632 /nfs/dbraw/zinc/43/86/32/565438632.db2.gz SAWCSXSXVNVEFE-SCLBCKFNSA-N -1 3 377.897 3.181 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000189035796 565438658 /nfs/dbraw/zinc/43/86/58/565438658.db2.gz SAWCSXSXVNVEFE-UGSOOPFHSA-N -1 3 377.897 3.181 20 30 GGEDHM N#Cc1cc(Cl)ccc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000301208975 565471764 /nfs/dbraw/zinc/47/17/64/565471764.db2.gz SZVHKNQVBGBCTO-UHFFFAOYSA-N -1 3 381.910 3.220 20 30 GGEDHM CCN(c1cccc([O-])c1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000190359003 565525529 /nfs/dbraw/zinc/52/55/29/565525529.db2.gz KYQZGFUBEHIUCL-UHFFFAOYSA-N -1 3 381.251 3.242 20 30 GGEDHM O=C(c1nccs1)C(C(=S)[N-]C1CCCCC1)[n+]1cc([O-])ccc1F ZINC000278364137 565554365 /nfs/dbraw/zinc/55/43/65/565554365.db2.gz YUDFRXVSQFOYOM-UHFFFAOYSA-O -1 3 380.490 3.136 20 30 GGEDHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000390391778 565556104 /nfs/dbraw/zinc/55/61/04/565556104.db2.gz KCOSLFSIDOEGOV-AWEZNQCLSA-N -1 3 378.881 3.485 20 30 GGEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000173975767 565602978 /nfs/dbraw/zinc/60/29/78/565602978.db2.gz JEKAQUIOGVMMHZ-VIFPVBQESA-N -1 3 386.296 3.011 20 30 GGEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000328856719 565644511 /nfs/dbraw/zinc/64/45/11/565644511.db2.gz KIPWRPSTSPMZHM-BFHYXJOUSA-N -1 3 385.555 3.019 20 30 GGEDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)C12CCCCC2 ZINC000329280814 565662140 /nfs/dbraw/zinc/66/21/40/565662140.db2.gz MZZHZMXZRPPILI-STQMWFEESA-N -1 3 387.527 3.157 20 30 GGEDHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H]1C1CCOCC1 ZINC000329401449 565665442 /nfs/dbraw/zinc/66/54/42/565665442.db2.gz ZAWZDWIXGIXZFG-HNNXBMFYSA-N -1 3 383.286 3.460 20 30 GGEDHM C=CC[C@H](CC)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000410141936 565666026 /nfs/dbraw/zinc/66/60/26/565666026.db2.gz WYJYPHXRQANCHM-NSHDSACASA-N -1 3 379.309 3.133 20 30 GGEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)cc1Cl ZINC000330188982 565697564 /nfs/dbraw/zinc/69/75/64/565697564.db2.gz UVVCWRWMBLDPSU-LLVKDONJSA-N -1 3 390.864 3.467 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c(F)cccc1Br ZINC000175533065 565706233 /nfs/dbraw/zinc/70/62/33/565706233.db2.gz FLIMSTPMCJYVRD-UHFFFAOYSA-N -1 3 392.228 3.336 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000281547970 565735508 /nfs/dbraw/zinc/73/55/08/565735508.db2.gz SOLWWJRVVDQVOF-VSYMPVBISA-N -1 3 396.281 3.274 20 30 GGEDHM O=S(=O)([N-]C1CCN(CC#Cc2ccc(Cl)cc2)CC1)c1cccs1 ZINC000176997952 565821743 /nfs/dbraw/zinc/82/17/43/565821743.db2.gz VSSGKOLJRKZAMV-UHFFFAOYSA-N -1 3 394.949 3.196 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000284439811 565853694 /nfs/dbraw/zinc/85/36/94/565853694.db2.gz JWAKAFLSZRGFOJ-WMLDXEAASA-N -1 3 382.291 3.251 20 30 GGEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000285093288 565887013 /nfs/dbraw/zinc/88/70/13/565887013.db2.gz MVHRKSXMSCCQQJ-LLVKDONJSA-N -1 3 383.720 3.026 20 30 GGEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000285093290 565887140 /nfs/dbraw/zinc/88/71/40/565887140.db2.gz MVHRKSXMSCCQQJ-NSHDSACASA-N -1 3 383.720 3.026 20 30 GGEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000285144464 565889868 /nfs/dbraw/zinc/88/98/68/565889868.db2.gz QZGDRIJWQISQRF-NSHDSACASA-N -1 3 383.720 3.026 20 30 GGEDHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)CC1 ZINC000414372726 565916864 /nfs/dbraw/zinc/91/68/64/565916864.db2.gz KQXMHVGOFUJFDI-ZDUSSCGKSA-N -1 3 382.507 3.166 20 30 GGEDHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)CC1 ZINC000414378461 565918760 /nfs/dbraw/zinc/91/87/60/565918760.db2.gz ZDXODJSJLZTUIK-CYBMUJFWSA-N -1 3 382.507 3.308 20 30 GGEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)cc1 ZINC000179284007 565970194 /nfs/dbraw/zinc/97/01/94/565970194.db2.gz KEEWYOWVQUZOFI-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)c(Cl)c1 ZINC000180055170 566028018 /nfs/dbraw/zinc/02/80/18/566028018.db2.gz PHSMHIOKPFHOIO-UHFFFAOYSA-N -1 3 395.815 3.208 20 30 GGEDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000287657557 566032538 /nfs/dbraw/zinc/03/25/38/566032538.db2.gz CQQRDWKABTYFPQ-SECBINFHSA-N -1 3 398.282 3.008 20 30 GGEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(F)c(F)c1 ZINC000180183060 566041640 /nfs/dbraw/zinc/04/16/40/566041640.db2.gz OTPKCYXMLOOFED-OAHLLOKOSA-N -1 3 386.807 3.156 20 30 GGEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000416436115 566068103 /nfs/dbraw/zinc/06/81/03/566068103.db2.gz BOTWOPKZOODMNE-UHFFFAOYSA-N -1 3 379.226 3.177 20 30 GGEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000416433795 566068339 /nfs/dbraw/zinc/06/83/39/566068339.db2.gz QXSBPKYOFFPDOZ-UHFFFAOYSA-N -1 3 398.307 3.133 20 30 GGEDHM COc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)CC#N)cc1Cl ZINC000416535066 566082382 /nfs/dbraw/zinc/08/23/82/566082382.db2.gz ZAZHJZVWQGKRDC-UHFFFAOYSA-N -1 3 395.706 3.329 20 30 GGEDHM N#Cc1cccc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000180759364 566087005 /nfs/dbraw/zinc/08/70/05/566087005.db2.gz WYUCYMFYYRJBCN-CQSZACIVSA-N -1 3 376.306 3.418 20 30 GGEDHM Cc1nc(C)c(CCC(=O)Nc2ccc(C#N)c(Br)c2)c(=O)[n-]1 ZINC000288722811 566087511 /nfs/dbraw/zinc/08/75/11/566087511.db2.gz FMKCOQPQYAVDCQ-UHFFFAOYSA-N -1 3 375.226 3.005 20 30 GGEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)CC(F)(F)F ZINC000416609848 566094899 /nfs/dbraw/zinc/09/48/99/566094899.db2.gz VWCFCPVJSYSHRM-MRVPVSSYSA-N -1 3 385.205 3.188 20 30 GGEDHM N#CC1(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)CCC1 ZINC000416669372 566103151 /nfs/dbraw/zinc/10/31/51/566103151.db2.gz JBALYCWSUXYBMI-UHFFFAOYSA-N -1 3 377.691 3.216 20 30 GGEDHM CCOc1cc(Br)c([N-]S(=O)(=O)[C@H](C#N)CC)cc1OCC ZINC000416934935 566113672 /nfs/dbraw/zinc/11/36/72/566113672.db2.gz FKBLCUVCRSSGEQ-JTQLQIEISA-N -1 3 391.287 3.290 20 30 GGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000416965772 566116119 /nfs/dbraw/zinc/11/61/19/566116119.db2.gz XPMGEYRYCXDJAG-UUOWRZLLSA-N -1 3 376.503 3.179 20 30 GGEDHM C=C[C@@H](CCC(=O)[O-])NCc1cn(-c2ccc(Br)cc2)nc1C ZINC000417624585 566168743 /nfs/dbraw/zinc/16/87/43/566168743.db2.gz KLHWYNXQJKLIPT-HNNXBMFYSA-N -1 3 378.270 3.452 20 30 GGEDHM Cn1ccc([C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)c2ccc(Cl)cc2)n1 ZINC000367192961 566189592 /nfs/dbraw/zinc/18/95/92/566189592.db2.gz DQFKLPIWVQMXAN-MRXNPFEDSA-N -1 3 392.893 3.075 20 30 GGEDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183007963 566234308 /nfs/dbraw/zinc/23/43/08/566234308.db2.gz WDUSBHJQFXJSCT-UHFFFAOYSA-N -1 3 384.244 3.025 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)c(Cl)c1 ZINC000183405173 566246377 /nfs/dbraw/zinc/24/63/77/566246377.db2.gz ZSRJZGWUEZMMFW-HNNXBMFYSA-N -1 3 395.937 3.389 20 30 GGEDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000266288261 566248108 /nfs/dbraw/zinc/24/81/08/566248108.db2.gz LKJGZHSJJOPXNI-UHFFFAOYSA-N -1 3 375.397 3.074 20 30 GGEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CC#N)c(Br)c1 ZINC000462153106 566257844 /nfs/dbraw/zinc/25/78/44/566257844.db2.gz WDTDGDMLUBMQII-MRVPVSSYSA-N -1 3 396.104 3.101 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)c(Cl)c1 ZINC000575351589 566267664 /nfs/dbraw/zinc/26/76/64/566267664.db2.gz NELYKMSSSMDEQC-TZMCWYRMSA-N -1 3 382.894 3.472 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)c1 ZINC000462281487 566273334 /nfs/dbraw/zinc/27/33/34/566273334.db2.gz WYAORGGKDQXGCL-CYBMUJFWSA-N -1 3 384.791 3.292 20 30 GGEDHM N#Cc1cccc(C2(NC(=O)N=c3cc4ccc(Br)cn4[n-]3)CC2)c1 ZINC000482053794 566279263 /nfs/dbraw/zinc/27/92/63/566279263.db2.gz UUODHUUJPXAFAZ-UHFFFAOYSA-N -1 3 396.248 3.201 20 30 GGEDHM C=CCN1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000509408282 566300855 /nfs/dbraw/zinc/30/08/55/566300855.db2.gz PRNCRRNVJYRMGS-UHFFFAOYSA-N -1 3 382.835 3.288 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420713949 566306478 /nfs/dbraw/zinc/30/64/78/566306478.db2.gz YSOXXAYASPZCIN-IINYFYTJSA-N -1 3 381.828 3.201 20 30 GGEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000625327647 566307990 /nfs/dbraw/zinc/30/79/90/566307990.db2.gz JJUSMUCEYRCBPL-UHFFFAOYSA-N -1 3 386.583 3.334 20 30 GGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000576079450 566312128 /nfs/dbraw/zinc/31/21/28/566312128.db2.gz SBMQRIXMMTVKPP-UHFFFAOYSA-N -1 3 399.697 3.495 20 30 GGEDHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)s1 ZINC000462715482 566347882 /nfs/dbraw/zinc/34/78/82/566347882.db2.gz MWVIHJDKMZUXHV-UHFFFAOYSA-N -1 3 389.271 3.308 20 30 GGEDHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(Cl)cc1CC#N ZINC000421164703 566352072 /nfs/dbraw/zinc/35/20/72/566352072.db2.gz KVXXCTYHOTWCOA-KRWDZBQOSA-N -1 3 378.881 3.405 20 30 GGEDHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000536124953 566353767 /nfs/dbraw/zinc/35/37/67/566353767.db2.gz BOIZJCJXPVAXLW-APPDUMDISA-N -1 3 382.844 3.405 20 30 GGEDHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1 ZINC000421167438 566353857 /nfs/dbraw/zinc/35/38/57/566353857.db2.gz UHUYCMPZGWSJOU-CYBMUJFWSA-N -1 3 375.288 3.124 20 30 GGEDHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000421237451 566359319 /nfs/dbraw/zinc/35/93/19/566359319.db2.gz RDCQERDPYGBICJ-GJZGRUSLSA-N -1 3 378.416 3.251 20 30 GGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000421243741 566359372 /nfs/dbraw/zinc/35/93/72/566359372.db2.gz DTODFGWBVNEVOP-CYBMUJFWSA-N -1 3 384.857 3.255 20 30 GGEDHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000510395295 566380258 /nfs/dbraw/zinc/38/02/58/566380258.db2.gz MJQJJDPIVHDGIM-IUODEOHRSA-N -1 3 381.885 3.212 20 30 GGEDHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000510395294 566380279 /nfs/dbraw/zinc/38/02/79/566380279.db2.gz MJQJJDPIVHDGIM-DOMZBBRYSA-N -1 3 381.885 3.212 20 30 GGEDHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000510434453 566382758 /nfs/dbraw/zinc/38/27/58/566382758.db2.gz DLRCKQUDUUPXCV-IUODEOHRSA-N -1 3 381.885 3.212 20 30 GGEDHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000510432487 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KOENXPZFCPHUQU-DJIMGWMZSA-N -1 3 376.503 3.249 20 30 GGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2cccc(Br)c2Cl)c1 ZINC000577206930 566414829 /nfs/dbraw/zinc/41/48/29/566414829.db2.gz HUKSVQINLRXAMB-UHFFFAOYSA-N -1 3 399.697 3.495 20 30 GGEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000537181701 566428923 /nfs/dbraw/zinc/42/89/23/566428923.db2.gz JXZLSFZSVAVVMJ-OAHLLOKOSA-N -1 3 388.555 3.252 20 30 GGEDHM CC[C@H](C)Oc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccn1 ZINC000537434107 566444907 /nfs/dbraw/zinc/44/49/07/566444907.db2.gz IVQBGXYKBWDXBP-LBPRGKRZSA-N -1 3 379.869 3.262 20 30 GGEDHM CC[C@@H](C)Oc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccn1 ZINC000537434103 566445117 /nfs/dbraw/zinc/44/51/17/566445117.db2.gz IVQBGXYKBWDXBP-GFCCVEGCSA-N -1 3 379.869 3.262 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)c(F)c1 ZINC000578000206 566483031 /nfs/dbraw/zinc/48/30/31/566483031.db2.gz GGEFLPBLQOPFDA-CYBMUJFWSA-N -1 3 389.235 3.016 20 30 GGEDHM C=C(C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)c1ccccc1 ZINC000672423671 566488722 /nfs/dbraw/zinc/48/87/22/566488722.db2.gz NAZKVCPLKCQMMU-UHFFFAOYSA-N -1 3 376.865 3.216 20 30 GGEDHM O=S(=O)([N-]CCSCC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000538757594 566533467 /nfs/dbraw/zinc/53/34/67/566533467.db2.gz VLZBYOZZGMBHJK-UHFFFAOYSA-N -1 3 385.326 3.418 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000539222320 566568828 /nfs/dbraw/zinc/56/88/28/566568828.db2.gz OQSSKJCNNUOMTE-DOTOQJQBSA-N -1 3 380.828 3.159 20 30 GGEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(CS(C)(=O)=O)o3)sc2C1 ZINC000604565629 566570220 /nfs/dbraw/zinc/57/02/20/566570220.db2.gz XLILJWPFUZURIW-SNVBAGLBSA-N -1 3 378.475 3.134 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000466521668 566581384 /nfs/dbraw/zinc/58/13/84/566581384.db2.gz ZBZFAUPMOLGFJD-UHFFFAOYSA-N -1 3 386.216 3.252 20 30 GGEDHM N#C[C@H]1CC[C@@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000424966648 566592150 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GGEDHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000467794822 566667988 /nfs/dbraw/zinc/66/79/88/566667988.db2.gz AFLIWFLKEXTKSF-AWEZNQCLSA-N -1 3 378.416 3.307 20 30 GGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000580135147 566668433 /nfs/dbraw/zinc/66/84/33/566668433.db2.gz MWASMACBYRVONR-UHFFFAOYSA-N -1 3 399.697 3.495 20 30 GGEDHM C=C[C@H](CCC(=O)[O-])NCc1cn(-c2cccc(Br)c2)nc1C ZINC000653504085 566674111 /nfs/dbraw/zinc/67/41/11/566674111.db2.gz GVWXSMYZMYYPBQ-OAHLLOKOSA-N -1 3 378.270 3.452 20 30 GGEDHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000540894762 566679576 /nfs/dbraw/zinc/67/95/76/566679576.db2.gz DFSOGGWAPODROJ-GTNSWQLSSA-N -1 3 382.844 3.405 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(OC(F)F)cc2)c(Cl)c1 ZINC000540939363 566683168 /nfs/dbraw/zinc/68/31/68/566683168.db2.gz MSZPIHQNJBYLJV-UHFFFAOYSA-N -1 3 386.807 3.334 20 30 GGEDHM C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1cncc([O-])c1 ZINC000561215425 566685996 /nfs/dbraw/zinc/68/59/96/566685996.db2.gz LFNYCOBJVDHUEH-UHFFFAOYSA-N -1 3 379.229 3.446 20 30 GGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br ZINC000580487237 566698129 /nfs/dbraw/zinc/69/81/29/566698129.db2.gz NXPOWJHWNHXSRU-GFCCVEGCSA-N -1 3 390.299 3.259 20 30 GGEDHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000468381162 566699940 /nfs/dbraw/zinc/69/99/40/566699940.db2.gz CXZOXRWLMICGDV-UHFFFAOYSA-N -1 3 384.816 3.177 20 30 GGEDHM C=CCn1c(=O)[n-]nc1SC[C@@H](COC)c1ccc(Br)cc1 ZINC000450870426 566713685 /nfs/dbraw/zinc/71/36/85/566713685.db2.gz LSYFVDPRHDPSGJ-GFCCVEGCSA-N -1 3 384.299 3.455 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)c(Cl)c1 ZINC000561562008 566722180 /nfs/dbraw/zinc/72/21/80/566722180.db2.gz DZVFPUOUHIYQLP-OAHLLOKOSA-N -1 3 385.272 3.267 20 30 GGEDHM Cc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)c2c(n1)CCCC2 ZINC000580820893 566726322 /nfs/dbraw/zinc/72/63/22/566726322.db2.gz IUIMTMPSKNWOEL-UHFFFAOYSA-N -1 3 375.881 3.211 20 30 GGEDHM N#CC1([N-]S(=O)(=O)Cc2ccc(Br)c(F)c2)CCCCC1 ZINC000450987471 566731258 /nfs/dbraw/zinc/73/12/58/566731258.db2.gz WCIVZTXMDGCOFS-UHFFFAOYSA-N -1 3 375.263 3.234 20 30 GGEDHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cs1 ZINC000608835251 566738009 /nfs/dbraw/zinc/73/80/09/566738009.db2.gz MFMQQEDTMZAIBK-UHFFFAOYSA-N -1 3 389.424 3.117 20 30 GGEDHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427195755 566756459 /nfs/dbraw/zinc/75/64/59/566756459.db2.gz BMQVBUACXBVCHY-UHFFFAOYSA-N -1 3 385.214 3.269 20 30 GGEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000609353417 566760419 /nfs/dbraw/zinc/76/04/19/566760419.db2.gz XEZYATWHBFVWJS-VIFPVBQESA-N -1 3 386.296 3.153 20 30 GGEDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc(C#N)c(F)c3)o2)cs1 ZINC000489084769 566768268 /nfs/dbraw/zinc/76/82/68/566768268.db2.gz XSGNLNBVOVNUSA-UHFFFAOYSA-N -1 3 377.422 3.201 20 30 GGEDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)cs1 ZINC000451309541 566792953 /nfs/dbraw/zinc/79/29/53/566792953.db2.gz WZDWZHFVLOZJQK-SNVBAGLBSA-N -1 3 385.898 3.048 20 30 GGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000427757381 566794243 /nfs/dbraw/zinc/79/42/43/566794243.db2.gz YPUWUEUNNBUINA-QMTHXVAHSA-N -1 3 380.363 3.475 20 30 GGEDHM N#CCN1CCC(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CC1 ZINC000427789400 566797434 /nfs/dbraw/zinc/79/74/34/566797434.db2.gz MFJBXHYHOFXTNN-UHFFFAOYSA-N -1 3 377.897 3.007 20 30 GGEDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000609960738 566797541 /nfs/dbraw/zinc/79/75/41/566797541.db2.gz BASQULBISZVWEM-UHFFFAOYSA-N -1 3 375.397 3.159 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2cccc(Cl)c2Cl)s1 ZINC000517008194 566799590 /nfs/dbraw/zinc/79/95/90/566799590.db2.gz PKKOUDMIGLFYRZ-UHFFFAOYSA-N -1 3 377.274 3.284 20 30 GGEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000427891451 566804826 /nfs/dbraw/zinc/80/48/26/566804826.db2.gz LFTATYDXSRPBST-INIZCTEOSA-N -1 3 394.656 3.366 20 30 GGEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000427891451 566804829 /nfs/dbraw/zinc/80/48/29/566804829.db2.gz LFTATYDXSRPBST-INIZCTEOSA-N -1 3 394.656 3.366 20 30 GGEDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccc(C)o1 ZINC000451380513 566808262 /nfs/dbraw/zinc/80/82/62/566808262.db2.gz YBUAGRUYVHVSHM-HNNXBMFYSA-N -1 3 382.869 3.364 20 30 GGEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccc(C)o1 ZINC000451380515 566808438 /nfs/dbraw/zinc/80/84/38/566808438.db2.gz YBUAGRUYVHVSHM-OAHLLOKOSA-N -1 3 382.869 3.364 20 30 GGEDHM CC#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000542671180 566816724 /nfs/dbraw/zinc/81/67/24/566816724.db2.gz SCCHBEKPVKZEEG-UHFFFAOYSA-N -1 3 376.865 3.284 20 30 GGEDHM CC[C@@H](CC#N)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469895304 566825005 /nfs/dbraw/zinc/82/50/05/566825005.db2.gz BEEGYLYGJRUBQF-VIFPVBQESA-N -1 3 382.645 3.366 20 30 GGEDHM CC[C@@H](CC#N)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469895304 566825011 /nfs/dbraw/zinc/82/50/11/566825011.db2.gz BEEGYLYGJRUBQF-VIFPVBQESA-N -1 3 382.645 3.366 20 30 GGEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2ccc(Br)cc2)CCC1 ZINC000428262752 566828859 /nfs/dbraw/zinc/82/88/59/566828859.db2.gz TXZPAHZGFWCFHX-UHFFFAOYSA-N -1 3 392.278 3.073 20 30 GGEDHM CC[C@@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428373218 566834847 /nfs/dbraw/zinc/83/48/47/566834847.db2.gz KUXSIXKBGOUFEG-ZDUSSCGKSA-N -1 3 394.294 3.015 20 30 GGEDHM Cc1nc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)sc1Br ZINC000451660289 566859505 /nfs/dbraw/zinc/85/95/05/566859505.db2.gz FKZPKNFIWIZRGB-UHFFFAOYSA-N -1 3 392.344 3.108 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H]1OCCc2sccc21 ZINC000490540912 566863437 /nfs/dbraw/zinc/86/34/37/566863437.db2.gz CDABBYVERCFAFA-QLJPJBMISA-N -1 3 382.894 3.254 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H]1OCCc2sccc21 ZINC000490579601 566865990 /nfs/dbraw/zinc/86/59/90/566865990.db2.gz NFMYFHGLRFRYSO-HWPZZCPQSA-N -1 3 382.894 3.254 20 30 GGEDHM COc1cc(C)c(Br)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000582488551 566867546 /nfs/dbraw/zinc/86/75/46/566867546.db2.gz JQFMHAUJMCDGMX-UHFFFAOYSA-N -1 3 375.288 3.448 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1N1CCCC1 ZINC000611015779 566883651 /nfs/dbraw/zinc/88/36/51/566883651.db2.gz YLYVTEMABNJNQZ-UHFFFAOYSA-N -1 3 375.881 3.290 20 30 GGEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCCC1 ZINC000611018199 566884690 /nfs/dbraw/zinc/88/46/90/566884690.db2.gz YOLJCOQXIGFYGE-UHFFFAOYSA-N -1 3 384.885 3.144 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)c1 ZINC000543620245 566892610 /nfs/dbraw/zinc/89/26/10/566892610.db2.gz ZBXUSRABPVENSB-CYBMUJFWSA-N -1 3 389.235 3.016 20 30 GGEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000451895166 566902779 /nfs/dbraw/zinc/90/27/79/566902779.db2.gz DRHXIMZAULUXMT-MNOVXSKESA-N -1 3 380.691 3.114 20 30 GGEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000451892881 566903239 /nfs/dbraw/zinc/90/32/39/566903239.db2.gz BLGNNXLWIOJRBW-OLZOCXBDSA-N -1 3 380.691 3.114 20 30 GGEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000543726009 566905672 /nfs/dbraw/zinc/90/56/72/566905672.db2.gz PMXYQJKVOARHRP-INIZCTEOSA-N -1 3 398.315 3.446 20 30 GGEDHM C=CCC[C@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)OCC ZINC000451998211 566919408 /nfs/dbraw/zinc/91/94/08/566919408.db2.gz SDRVWBPEFFIDJH-AWEZNQCLSA-N -1 3 379.400 3.023 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)c(Cl)c1 ZINC000452084030 566931859 /nfs/dbraw/zinc/93/18/59/566931859.db2.gz KNQZUURUPNUSLD-INIZCTEOSA-N -1 3 396.921 3.455 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1cccs1)C1(CO)CCC1 ZINC000452080565 566932372 /nfs/dbraw/zinc/93/23/72/566932372.db2.gz HLNMAOBWMHKZNA-MRXNPFEDSA-N -1 3 396.921 3.455 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544372324 566958526 /nfs/dbraw/zinc/95/85/26/566958526.db2.gz XVSDBOSQVRUMAO-YGRLFVJLSA-N -1 3 394.718 3.362 20 30 GGEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c1 ZINC000429913959 566966186 /nfs/dbraw/zinc/96/61/86/566966186.db2.gz LPBHCXRQJOHOGA-SECBINFHSA-N -1 3 379.226 3.034 20 30 GGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCc2sc(Cl)cc21 ZINC000564358364 566967397 /nfs/dbraw/zinc/96/73/97/566967397.db2.gz UABNPHRGXCWKMW-JTQLQIEISA-N -1 3 383.838 3.147 20 30 GGEDHM CN(Cc1cccc(C#N)c1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429979717 566973055 /nfs/dbraw/zinc/97/30/55/566973055.db2.gz KADMNIJYPFLJAF-UHFFFAOYSA-N -1 3 384.237 3.054 20 30 GGEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(Br)ccc1OCCC ZINC000656942940 566981537 /nfs/dbraw/zinc/98/15/37/566981537.db2.gz GFQFHKTYZXCCDO-UHFFFAOYSA-N -1 3 392.315 3.109 20 30 GGEDHM COc1cc(Br)c(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)cc1Cl ZINC000564568331 566989125 /nfs/dbraw/zinc/98/91/25/566989125.db2.gz RTVJVKVMGBFHJZ-ZDUSSCGKSA-N -1 3 393.690 3.082 20 30 GGEDHM COc1cc(Br)c(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)cc1Cl ZINC000564568304 566989135 /nfs/dbraw/zinc/98/91/35/566989135.db2.gz RTVJVKVMGBFHJZ-CYBMUJFWSA-N -1 3 393.690 3.082 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)c(Cl)c1 ZINC000472202820 567008694 /nfs/dbraw/zinc/00/86/94/567008694.db2.gz DHRONDZBTCBHNV-UHFFFAOYSA-N -1 3 386.807 3.334 20 30 GGEDHM C=CCC1([N-]S(=O)(=O)c2cc(C)c(Br)s2)CCOCC1 ZINC000657128338 567020575 /nfs/dbraw/zinc/02/05/75/567020575.db2.gz UMNGYSWFBMXQGC-UHFFFAOYSA-N -1 3 380.329 3.223 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CC(OCc2ccccc2)C1 ZINC000545210063 567028908 /nfs/dbraw/zinc/02/89/08/567028908.db2.gz DIILEPHRJRBQCV-UHFFFAOYSA-N -1 3 376.865 3.238 20 30 GGEDHM C=CCC[C@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)C(=O)OCC ZINC000521193355 567047470 /nfs/dbraw/zinc/04/74/70/567047470.db2.gz WEHWHQVOXVWYMV-AWEZNQCLSA-N -1 3 379.400 3.023 20 30 GGEDHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1Cl ZINC000431183439 567063549 /nfs/dbraw/zinc/06/35/49/567063549.db2.gz QWIRSRYEKMBGLE-UHFFFAOYSA-N -1 3 385.228 3.452 20 30 GGEDHM C[N-]S(=O)(=O)c1ccc(CNc2cc(C#N)ccc2C(F)(F)F)s1 ZINC000613875043 567067302 /nfs/dbraw/zinc/06/73/02/567067302.db2.gz ZSSYDJYZYYTETI-UHFFFAOYSA-N -1 3 375.397 3.159 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1nc2c(s1)CCC2 ZINC000565470132 567070621 /nfs/dbraw/zinc/07/06/21/567070621.db2.gz JFCUFHQMSXENGX-JTQLQIEISA-N -1 3 381.910 3.391 20 30 GGEDHM C=C(C)CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000473371807 567075133 /nfs/dbraw/zinc/07/51/33/567075133.db2.gz VTPKQNOTNZVSGB-UHFFFAOYSA-N -1 3 398.937 3.285 20 30 GGEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000585708344 567082382 /nfs/dbraw/zinc/08/23/82/567082382.db2.gz XHRHYOQBPTYDTL-UHFFFAOYSA-N -1 3 397.319 3.391 20 30 GGEDHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000473480996 567082872 /nfs/dbraw/zinc/08/28/72/567082872.db2.gz HETUQCQETMAVGU-UHFFFAOYSA-N -1 3 378.837 3.498 20 30 GGEDHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000565766451 567097967 /nfs/dbraw/zinc/09/79/67/567097967.db2.gz JNGUPKQQMZAQLB-WDEREUQCSA-N -1 3 389.340 3.273 20 30 GGEDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588128879 567115173 /nfs/dbraw/zinc/11/51/73/567115173.db2.gz QCTDFHLVOTVMDA-QMMMGPOBSA-N -1 3 385.205 3.330 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCc2ccc(F)cc21 ZINC000588114644 567115694 /nfs/dbraw/zinc/11/56/94/567115694.db2.gz GUALZNWKVZBLCW-OAHLLOKOSA-N -1 3 395.253 3.426 20 30 GGEDHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588131455 567115944 /nfs/dbraw/zinc/11/59/44/567115944.db2.gz RVOIQKXBEWOOCE-UHFFFAOYSA-N -1 3 385.205 3.330 20 30 GGEDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588128878 567116081 /nfs/dbraw/zinc/11/60/81/567116081.db2.gz QCTDFHLVOTVMDA-MRVPVSSYSA-N -1 3 385.205 3.330 20 30 GGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000432279036 567144040 /nfs/dbraw/zinc/14/40/40/567144040.db2.gz BLDJKUYGJMMSKC-UHFFFAOYSA-N -1 3 390.299 3.116 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)C(=O)[N-]c1scc(C)c1C(=O)OC ZINC000498209760 567159671 /nfs/dbraw/zinc/15/96/71/567159671.db2.gz JPEOOCSCODZPPA-UHFFFAOYSA-N -1 3 378.475 3.058 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Br)c(F)c1 ZINC000523569501 567162481 /nfs/dbraw/zinc/16/24/81/567162481.db2.gz ZGMSOCBEMQJZOY-HNNXBMFYSA-N -1 3 395.253 3.426 20 30 GGEDHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000474383160 567165313 /nfs/dbraw/zinc/16/53/13/567165313.db2.gz HUUWGQYHBIBKEK-UHFFFAOYSA-N -1 3 376.821 3.445 20 30 GGEDHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000474376796 567165480 /nfs/dbraw/zinc/16/54/80/567165480.db2.gz PBFSTFBNBBYDQX-UHFFFAOYSA-N -1 3 376.821 3.445 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2cc(Br)cc3c2OCCO3)nc(C)n1 ZINC000659024772 567178938 /nfs/dbraw/zinc/17/89/38/567178938.db2.gz JODXRQSXCHWCOG-ZDUSSCGKSA-N -1 3 388.221 3.117 20 30 GGEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000524200397 567186258 /nfs/dbraw/zinc/18/62/58/567186258.db2.gz KZYAEABOUHGHRX-ZMZPIMSZSA-N -1 3 388.265 3.493 20 30 GGEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000524200396 567186945 /nfs/dbraw/zinc/18/69/45/567186945.db2.gz KZYAEABOUHGHRX-VOJFVSQTSA-N -1 3 388.265 3.493 20 30 GGEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000524200395 567187158 /nfs/dbraw/zinc/18/71/58/567187158.db2.gz KZYAEABOUHGHRX-BBATYDOGSA-N -1 3 388.265 3.493 20 30 GGEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c(F)c1 ZINC000432775478 567188919 /nfs/dbraw/zinc/18/89/19/567188919.db2.gz UUMWYUWODOWWRK-UHFFFAOYSA-N -1 3 380.198 3.132 20 30 GGEDHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)ccc2[nH]1 ZINC000432957575 567210045 /nfs/dbraw/zinc/21/00/45/567210045.db2.gz ARCNQFJMQMEPND-UHFFFAOYSA-N -1 3 391.250 3.306 20 30 GGEDHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)cc2[nH]1 ZINC000432957575 567210052 /nfs/dbraw/zinc/21/00/52/567210052.db2.gz ARCNQFJMQMEPND-UHFFFAOYSA-N -1 3 391.250 3.306 20 30 GGEDHM Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc2[nH]ncc21 ZINC000499268131 567233997 /nfs/dbraw/zinc/23/39/97/567233997.db2.gz WMGXRQTXYNUTKP-UHFFFAOYSA-N -1 3 391.250 3.306 20 30 GGEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 ZINC000547794666 567247206 /nfs/dbraw/zinc/24/72/06/567247206.db2.gz AKQMYXSAZVMURN-MRXNPFEDSA-N -1 3 398.315 3.446 20 30 GGEDHM N#Cc1ccc(N2CCC(NCc3cccc([O-])c3Br)CC2)nc1 ZINC000590956135 567258611 /nfs/dbraw/zinc/25/86/11/567258611.db2.gz ZMYATQUWLPQWNS-UHFFFAOYSA-N -1 3 387.281 3.180 20 30 GGEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000499653382 567263228 /nfs/dbraw/zinc/26/32/28/567263228.db2.gz LVCWWRHECHCOKN-SNVBAGLBSA-N -1 3 393.253 3.425 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)cc1Br ZINC000499743877 567269844 /nfs/dbraw/zinc/26/98/44/567269844.db2.gz RYMVWNBDLQPDJI-JTQLQIEISA-N -1 3 393.253 3.425 20 30 GGEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1I ZINC000475820369 567280708 /nfs/dbraw/zinc/28/07/08/567280708.db2.gz ORYBTCGSIJUKGO-UHFFFAOYSA-N -1 3 398.225 3.158 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc(OC(F)F)cc2)c1 ZINC000548117404 567281796 /nfs/dbraw/zinc/28/17/96/567281796.db2.gz PMSUMNYJEOESIC-UHFFFAOYSA-N -1 3 386.807 3.334 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)c1 ZINC000476200971 567305079 /nfs/dbraw/zinc/30/50/79/567305079.db2.gz VZZAXTDTULSJCX-UHFFFAOYSA-N -1 3 383.256 3.278 20 30 GGEDHM O=S(=O)(CCOCC(F)(F)F)[N-]c1cccc(C#Cc2cccs2)c1 ZINC000685898883 567307454 /nfs/dbraw/zinc/30/74/54/567307454.db2.gz YGHIEDIZCUUROC-UHFFFAOYSA-N -1 3 389.420 3.469 20 30 GGEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCCC1 ZINC000476319490 567315249 /nfs/dbraw/zinc/31/52/49/567315249.db2.gz KMTJKEJRNIKLJR-HNNXBMFYSA-N -1 3 384.885 3.002 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)CCCCC1 ZINC000548457643 567317018 /nfs/dbraw/zinc/31/70/18/567317018.db2.gz MDNSLBYEZXURBR-UHFFFAOYSA-N -1 3 376.507 3.099 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cncc(Br)c2)C2CC2)s1 ZINC000568303918 567317780 /nfs/dbraw/zinc/31/77/80/567317780.db2.gz PJHMGNAEUTWEDK-CQSZACIVSA-N -1 3 398.307 3.207 20 30 GGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000476379963 567318988 /nfs/dbraw/zinc/31/89/88/567318988.db2.gz RFAQQPBJBRRGSJ-UHFFFAOYSA-N -1 3 386.807 3.335 20 30 GGEDHM N#CC1(CS(=O)(=O)NCc2ccc([O-])c(Br)c2)CCCCC1 ZINC000476425622 567322557 /nfs/dbraw/zinc/32/25/57/567322557.db2.gz SZYUTWLWKRJUDZ-UHFFFAOYSA-N -1 3 387.299 3.048 20 30 GGEDHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476507756 567329505 /nfs/dbraw/zinc/32/95/05/567329505.db2.gz IBYKTYZFJSQYDQ-GTNSWQLSSA-N -1 3 382.844 3.405 20 30 GGEDHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000476502181 567330268 /nfs/dbraw/zinc/33/02/68/567330268.db2.gz DTZFIJBQQVVRGZ-ZDUSSCGKSA-N -1 3 378.881 3.377 20 30 GGEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000592382293 567335037 /nfs/dbraw/zinc/33/50/37/567335037.db2.gz OFFHZYZFWJLOMN-LBPRGKRZSA-N -1 3 379.707 3.460 20 30 GGEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000592382902 567335100 /nfs/dbraw/zinc/33/51/00/567335100.db2.gz USQUCZSTPXTBDM-GFCCVEGCSA-N -1 3 379.707 3.460 20 30 GGEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000592383541 567335451 /nfs/dbraw/zinc/33/54/51/567335451.db2.gz CTNOJPOCQUZCGB-ZDUSSCGKSA-N -1 3 377.691 3.214 20 30 GGEDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000548695963 567343254 /nfs/dbraw/zinc/34/32/54/567343254.db2.gz ZGTNUGMMACGDEV-UHFFFAOYSA-N -1 3 379.869 3.083 20 30 GGEDHM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(Cl)cc1 ZINC000500927377 567354330 /nfs/dbraw/zinc/35/43/30/567354330.db2.gz YAJICYYFEOZVQB-KRWDZBQOSA-N -1 3 382.844 3.158 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2csc(-c3ccccc3)n2)s1 ZINC000435425291 567362259 /nfs/dbraw/zinc/36/22/59/567362259.db2.gz CHIMXDZKLUAQGS-UHFFFAOYSA-N -1 3 375.500 3.264 20 30 GGEDHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)OC(C)C ZINC000435428826 567362572 /nfs/dbraw/zinc/36/25/72/567362572.db2.gz TUVXRMSBULYULN-MRXNPFEDSA-N -1 3 380.491 3.073 20 30 GGEDHM Cc1ccc(Cl)cc1N1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435432299 567364447 /nfs/dbraw/zinc/36/44/47/567364447.db2.gz IHGCKAFKSOPLHD-ZDUSSCGKSA-N -1 3 395.937 3.386 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2Br)s1 ZINC000435432859 567364977 /nfs/dbraw/zinc/36/49/77/567364977.db2.gz OXPPRJSCTIMJLS-WCQYABFASA-N -1 3 383.292 3.217 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CCOCC2)s1 ZINC000435435809 567366106 /nfs/dbraw/zinc/36/61/06/567366106.db2.gz CIXRVYAGUCGSJO-UHFFFAOYSA-N -1 3 396.921 3.300 20 30 GGEDHM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435436032 567366150 /nfs/dbraw/zinc/36/61/50/567366150.db2.gz DHEJJISMNQZBPI-YJBOKZPZSA-N -1 3 376.503 3.374 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000435444483 567369298 /nfs/dbraw/zinc/36/92/98/567369298.db2.gz XXYBDDQPFYMZLN-UHFFFAOYSA-N -1 3 395.937 3.216 20 30 GGEDHM Cc1cc(F)ccc1N1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435446026 567369931 /nfs/dbraw/zinc/36/99/31/567369931.db2.gz IUYRIWHFFBKPLW-AWEZNQCLSA-N -1 3 379.482 3.015 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000435579418 567375714 /nfs/dbraw/zinc/37/57/14/567375714.db2.gz KTNYQUSDNZHLAW-QMTHXVAHSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000435584669 567375900 /nfs/dbraw/zinc/37/59/00/567375900.db2.gz NAXRTYKYBMQCFJ-MEBBXXQBSA-N -1 3 380.293 3.262 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000435590409 567376692 /nfs/dbraw/zinc/37/66/92/567376692.db2.gz VXPGEVHDXBBENB-CMPLNLGQSA-N -1 3 380.329 3.079 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000435589353 567377122 /nfs/dbraw/zinc/37/71/22/567377122.db2.gz RUBXDEJRJDVUKH-IINYFYTJSA-N -1 3 386.782 3.463 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(SCCN3CCCC3)cc2)o1 ZINC000593217411 567399996 /nfs/dbraw/zinc/39/99/96/567399996.db2.gz LPPOZUQJHJBYGO-UHFFFAOYSA-N -1 3 377.491 3.140 20 30 GGEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000618606672 567402252 /nfs/dbraw/zinc/40/22/52/567402252.db2.gz VAVJIQNVNHGDMK-LBPRGKRZSA-N -1 3 379.707 3.460 20 30 GGEDHM N#C[C@@]1([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)CCc2ccccc2C1 ZINC000618606553 567402069 /nfs/dbraw/zinc/40/20/69/567402069.db2.gz JGJFTVZBVMKKTH-GOSISDBHSA-N -1 3 378.856 3.350 20 30 GGEDHM N#C[C@H]([N-]S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000618606447 567402410 /nfs/dbraw/zinc/40/24/10/567402410.db2.gz DOWGUAXUNPUSQP-HNNXBMFYSA-N -1 3 376.400 3.477 20 30 GGEDHM C=CCC[C@H](CO)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000456771916 567416364 /nfs/dbraw/zinc/41/63/64/567416364.db2.gz WFIUVYLSNBIPBZ-SNVBAGLBSA-N -1 3 399.672 3.001 20 30 GGEDHM C=CCC[C@H](CO)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000456771916 567416369 /nfs/dbraw/zinc/41/63/69/567416369.db2.gz WFIUVYLSNBIPBZ-SNVBAGLBSA-N -1 3 399.672 3.001 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(F)c(I)c2)nc(C)n1 ZINC000477844172 567423170 /nfs/dbraw/zinc/42/31/70/567423170.db2.gz AZPUEDINEMYPEZ-NSHDSACASA-N -1 3 395.175 3.327 20 30 GGEDHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC1CCC(C#N)CC1 ZINC000593590833 567427081 /nfs/dbraw/zinc/42/70/81/567427081.db2.gz OUTNMDUEJKWDPK-UHFFFAOYSA-N -1 3 377.329 3.427 20 30 GGEDHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000619004760 567428787 /nfs/dbraw/zinc/42/87/87/567428787.db2.gz YCINLBMPIMUTKJ-UHFFFAOYSA-N -1 3 385.205 3.330 20 30 GGEDHM N#Cc1cccc(CN2CCC([N-]S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000593668723 567433269 /nfs/dbraw/zinc/43/32/69/567433269.db2.gz QUTXSSXKQSDVCH-UHFFFAOYSA-N -1 3 395.937 3.216 20 30 GGEDHM COc1ccc([C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C2CC2)cn1 ZINC000528590115 567441659 /nfs/dbraw/zinc/44/16/59/567441659.db2.gz IEZIUCILTDLHAS-QGZVFWFLSA-N -1 3 377.853 3.045 20 30 GGEDHM N#Cc1ccc(-n2ccc(NCc3cc([O-])ccc3Br)n2)c(F)c1 ZINC000436728585 567447661 /nfs/dbraw/zinc/44/76/61/567447661.db2.gz MEUYELFOQLOELR-UHFFFAOYSA-N -1 3 387.212 3.385 20 30 GGEDHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619463059 567456322 /nfs/dbraw/zinc/45/63/22/567456322.db2.gz YBWWFZPJKXLMAX-QHCPKHFHSA-N -1 3 382.894 3.085 20 30 GGEDHM Cc1cc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)ccc1C#N ZINC000550793565 567461447 /nfs/dbraw/zinc/46/14/47/567461447.db2.gz RQTMRUNBCOPCHK-HSZRJFAPSA-N -1 3 382.894 3.199 20 30 GGEDHM COC(=O)c1sc2ccccc2c1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000619547491 567463830 /nfs/dbraw/zinc/46/38/30/567463830.db2.gz LGYRPVOUZHVBPU-UHFFFAOYSA-N -1 3 392.483 3.100 20 30 GGEDHM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000619595345 567467931 /nfs/dbraw/zinc/46/79/31/567467931.db2.gz WXVIIPFKRGWAJT-AWEZNQCLSA-N -1 3 395.253 3.426 20 30 GGEDHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n1 ZINC000503218451 567473581 /nfs/dbraw/zinc/47/35/81/567473581.db2.gz CBTCLLXXAPIPSE-UHFFFAOYSA-N -1 3 379.869 3.262 20 30 GGEDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000619753236 567478307 /nfs/dbraw/zinc/47/83/07/567478307.db2.gz RMIZHRSOHKJPQZ-UHFFFAOYSA-N -1 3 399.255 3.130 20 30 GGEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000619752560 567478646 /nfs/dbraw/zinc/47/86/46/567478646.db2.gz AMIOCOXMYUFDAO-UHFFFAOYSA-N -1 3 386.216 3.252 20 30 GGEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000619752619 567478914 /nfs/dbraw/zinc/47/89/14/567478914.db2.gz FQOPXPDZWHIMBC-UHFFFAOYSA-N -1 3 386.216 3.252 20 30 GGEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)cc1C ZINC000619752922 567479005 /nfs/dbraw/zinc/47/90/05/567479005.db2.gz DURYSXCVAOVBAP-UHFFFAOYSA-N -1 3 379.825 3.215 20 30 GGEDHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000503429938 567484009 /nfs/dbraw/zinc/48/40/09/567484009.db2.gz RHBZTQCZEAZHAV-UHFFFAOYSA-N -1 3 378.881 3.476 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)c(Cl)c1 ZINC000503423998 567484294 /nfs/dbraw/zinc/48/42/94/567484294.db2.gz DZGWKULYJOMRNC-UHFFFAOYSA-N -1 3 376.865 3.479 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)c(Cl)c1 ZINC000503428794 567484711 /nfs/dbraw/zinc/48/47/11/567484711.db2.gz DKYSCUDCNWYQJJ-UHFFFAOYSA-N -1 3 377.878 3.342 20 30 GGEDHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503451609 567485503 /nfs/dbraw/zinc/48/55/03/567485503.db2.gz WWVIYOLGQSEZEU-UHFFFAOYSA-N -1 3 386.901 3.390 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)c(Cl)c1 ZINC000503447188 567485611 /nfs/dbraw/zinc/48/56/11/567485611.db2.gz JTIPSANJEDLIJW-UHFFFAOYSA-N -1 3 377.828 3.353 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)c3c(c2)OCCO3)c(Cl)c1 ZINC000503453849 567486287 /nfs/dbraw/zinc/48/62/87/567486287.db2.gz JORXEXXRSSOOHV-UHFFFAOYSA-N -1 3 399.255 3.115 20 30 GGEDHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503773132 567505177 /nfs/dbraw/zinc/50/51/77/567505177.db2.gz MTQCPUNWCNTIMH-PIGZYNQJSA-N -1 3 382.844 3.405 20 30 GGEDHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503773131 567505513 /nfs/dbraw/zinc/50/55/13/567505513.db2.gz MTQCPUNWCNTIMH-GTNSWQLSSA-N -1 3 382.844 3.405 20 30 GGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000479128060 567505904 /nfs/dbraw/zinc/50/59/04/567505904.db2.gz JAQBFACLMGEVMW-QMTHXVAHSA-N -1 3 375.263 3.339 20 30 GGEDHM N#CCSCc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000551436562 567506324 /nfs/dbraw/zinc/50/63/24/567506324.db2.gz WQZDEOUDCMAHGR-UHFFFAOYSA-N -1 3 377.227 3.041 20 30 GGEDHM N#CCSCc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000551436562 567506328 /nfs/dbraw/zinc/50/63/28/567506328.db2.gz WQZDEOUDCMAHGR-UHFFFAOYSA-N -1 3 377.227 3.041 20 30 GGEDHM N#CCSCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551436562 567506334 /nfs/dbraw/zinc/50/63/34/567506334.db2.gz WQZDEOUDCMAHGR-UHFFFAOYSA-N -1 3 377.227 3.041 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000503798435 567507138 /nfs/dbraw/zinc/50/71/38/567507138.db2.gz JSUNVLSRYGWGAP-CQSZACIVSA-N -1 3 396.299 3.422 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@@H](O)C(F)(F)F ZINC000594766624 567509196 /nfs/dbraw/zinc/50/91/96/567509196.db2.gz OYFZJTANZIALPA-DGCLKSJQSA-N -1 3 392.424 3.062 20 30 GGEDHM CC[C@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@H](O)C(F)(F)F ZINC000594766615 567509372 /nfs/dbraw/zinc/50/93/72/567509372.db2.gz OYFZJTANZIALPA-AAEUAGOBSA-N -1 3 392.424 3.062 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@]1(C)CCO[C@H]1C1CC1 ZINC000594774034 567510654 /nfs/dbraw/zinc/51/06/54/567510654.db2.gz WCENXNOOHGEFIG-WMZOPIPTSA-N -1 3 376.503 3.317 20 30 GGEDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503884785 567510685 /nfs/dbraw/zinc/51/06/85/567510685.db2.gz LVPHUCQCCVXOPJ-DIFFPNOSSA-N -1 3 382.844 3.405 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC)CC#N ZINC000594768695 567510755 /nfs/dbraw/zinc/51/07/55/567510755.db2.gz NVSIMJXSWKMUIA-GFCCVEGCSA-N -1 3 375.288 3.208 20 30 GGEDHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503884786 567511285 /nfs/dbraw/zinc/51/12/85/567511285.db2.gz LVPHUCQCCVXOPJ-GTNSWQLSSA-N -1 3 382.844 3.405 20 30 GGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000479168809 567511394 /nfs/dbraw/zinc/51/13/94/567511394.db2.gz ZDJZBALGVSMUQQ-BZNIZROVSA-N -1 3 399.310 3.135 20 30 GGEDHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000437931641 567515081 /nfs/dbraw/zinc/51/50/81/567515081.db2.gz GXWPVNNHUYSTKL-UHFFFAOYSA-N -1 3 378.837 3.416 20 30 GGEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000594815539 567516016 /nfs/dbraw/zinc/51/60/16/567516016.db2.gz VIPWIPNFYHQUOT-UHFFFAOYSA-N -1 3 384.401 3.201 20 30 GGEDHM C=CCCSCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000594814567 567516140 /nfs/dbraw/zinc/51/61/40/567516140.db2.gz BMBDXYKOMCYEQX-UHFFFAOYSA-N -1 3 398.319 3.184 20 30 GGEDHM C=CCC1([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCOCC1 ZINC000594847150 567519246 /nfs/dbraw/zinc/51/92/46/567519246.db2.gz WJVZMOJYTPYGDC-UHFFFAOYSA-N -1 3 376.503 3.485 20 30 GGEDHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C#N)cc1 ZINC000570913912 567522821 /nfs/dbraw/zinc/52/28/21/567522821.db2.gz JVOGYQCPNROZQD-UHFFFAOYSA-N -1 3 394.294 3.183 20 30 GGEDHM C=CCN1CCC(NC(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000570980025 567527666 /nfs/dbraw/zinc/52/76/66/567527666.db2.gz QODVUBGPTFMBMM-UHFFFAOYSA-N -1 3 390.281 3.083 20 30 GGEDHM COc1cc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1C ZINC000571119955 567538793 /nfs/dbraw/zinc/53/87/93/567538793.db2.gz YOSQVQNHGYMTMH-UHFFFAOYSA-N -1 3 381.797 3.238 20 30 GGEDHM Cn1ncc(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)c1C#N ZINC000479565576 567545029 /nfs/dbraw/zinc/54/50/29/567545029.db2.gz KVQHRHRIGREJMS-UHFFFAOYSA-N -1 3 390.881 3.341 20 30 GGEDHM CO[C@@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000479910621 567567508 /nfs/dbraw/zinc/56/75/08/567567508.db2.gz CZVXVQRKWMZJBU-APPDUMDISA-N -1 3 382.844 3.405 20 30 GGEDHM N#Cc1cccc(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c1 ZINC000571731921 567585111 /nfs/dbraw/zinc/58/51/11/567585111.db2.gz BMRYVNCFYZZSAV-UHFFFAOYSA-N -1 3 396.244 3.135 20 30 GGEDHM C[C@@H]([N-]C(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)C(F)(F)F ZINC000645029348 567600807 /nfs/dbraw/zinc/60/08/07/567600807.db2.gz WSLBCEOSFYCQSP-ZCFIWIBFSA-N -1 3 378.219 3.346 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccncc1 ZINC000572021291 567606320 /nfs/dbraw/zinc/60/63/20/567606320.db2.gz KTCZBBVHGCCDIC-CQSZACIVSA-N -1 3 380.267 3.145 20 30 GGEDHM COc1ccc(CN2CCC(CN=c3[n-]c(C#N)c(Cl)s3)CC2)cc1 ZINC000596096714 567609074 /nfs/dbraw/zinc/60/90/74/567609074.db2.gz YDWZSAAYGDXEKL-UHFFFAOYSA-N -1 3 376.913 3.423 20 30 GGEDHM CCc1nc(CN2CCC(CN=c3[n-]c(C#N)c(Cl)s3)CC2)cs1 ZINC000596119583 567610451 /nfs/dbraw/zinc/61/04/51/567610451.db2.gz LMCLXHAMMLCFPU-UHFFFAOYSA-N -1 3 381.958 3.433 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H](c1ccccc1)N(C)C ZINC000440079280 567615684 /nfs/dbraw/zinc/61/56/84/567615684.db2.gz XFENVMPMQBNUOF-SCLBCKFNSA-N -1 3 377.897 3.181 20 30 GGEDHM N#Cc1cc(F)c(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(F)c1 ZINC000440666346 567638529 /nfs/dbraw/zinc/63/85/29/567638529.db2.gz CQFKKPQFVZUJOJ-UHFFFAOYSA-N -1 3 389.786 3.019 20 30 GGEDHM C=CCNC(=O)c1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)cc1 ZINC000506725412 567639516 /nfs/dbraw/zinc/63/95/16/567639516.db2.gz HSHNWYZOPQWMMR-UHFFFAOYSA-N -1 3 378.881 3.240 20 30 GGEDHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(Br)cc1C#N ZINC000553379839 567648741 /nfs/dbraw/zinc/64/87/41/567648741.db2.gz ZCQXGEDSNWUKLL-UHFFFAOYSA-N -1 3 394.250 3.204 20 30 GGEDHM COc1cc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)ccc1C ZINC000553463951 567656637 /nfs/dbraw/zinc/65/66/37/567656637.db2.gz YDKOZTXBDDUIOX-UHFFFAOYSA-N -1 3 395.278 3.116 20 30 GGEDHM N#Cc1cccc(CC(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)c1 ZINC000531396038 567656963 /nfs/dbraw/zinc/65/69/63/567656963.db2.gz DMAQZWDOJGMHLT-UHFFFAOYSA-N -1 3 399.223 3.453 20 30 GGEDHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000572795918 567666043 /nfs/dbraw/zinc/66/60/43/567666043.db2.gz RXUPVMWTASSHKV-QFYYESIMSA-N -1 3 393.262 3.121 20 30 GGEDHM C[C@H](C#N)CN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000553576015 567668754 /nfs/dbraw/zinc/66/87/54/567668754.db2.gz VPAYSHOYIUWKQE-MRVPVSSYSA-N -1 3 382.645 3.176 20 30 GGEDHM C[C@H](C#N)CN(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000553576015 567668761 /nfs/dbraw/zinc/66/87/61/567668761.db2.gz VPAYSHOYIUWKQE-MRVPVSSYSA-N -1 3 382.645 3.176 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000553806372 567687912 /nfs/dbraw/zinc/68/79/12/567687912.db2.gz FPDMKMCKGCTFDA-SWLSCSKDSA-N -1 3 395.253 3.294 20 30 GGEDHM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553873137 567694525 /nfs/dbraw/zinc/69/45/25/567694525.db2.gz ZZTAKZFGRMSRSK-LLVKDONJSA-N -1 3 394.294 3.318 20 30 GGEDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)ccc1C ZINC000507885303 567713368 /nfs/dbraw/zinc/71/33/68/567713368.db2.gz DADNLRYXUZIJFT-UHFFFAOYSA-N -1 3 378.837 3.498 20 30 GGEDHM N#C[C@@H]([N-]S(=O)(=O)CCc1ccccc1Br)C1CCCCC1 ZINC000461106658 567719933 /nfs/dbraw/zinc/71/99/33/567719933.db2.gz IQFAOBAFSNAVCJ-MRXNPFEDSA-N -1 3 385.327 3.383 20 30 GGEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCc2ccccc2Br)C1 ZINC000461114115 567721209 /nfs/dbraw/zinc/72/12/09/567721209.db2.gz RIMFNOKWZBHJEQ-XJKSGUPXSA-N -1 3 385.327 3.383 20 30 GGEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000508024400 567722423 /nfs/dbraw/zinc/72/24/23/567722423.db2.gz DDPUOOTZBMDCMZ-VIFPVBQESA-N -1 3 386.296 3.153 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1coc(-c2cccs2)n1 ZINC000443010503 567722627 /nfs/dbraw/zinc/72/26/27/567722627.db2.gz DQJWKYFRTMZSEL-UHFFFAOYSA-N -1 3 379.850 3.407 20 30 GGEDHM N#Cc1ccc([N-]S(=O)(=O)CCc2ccccc2Br)c(F)c1 ZINC000461116660 567722784 /nfs/dbraw/zinc/72/27/84/567722784.db2.gz ZGVXYKZHVJPKCX-UHFFFAOYSA-N -1 3 383.242 3.444 20 30 GGEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000443007897 567723165 /nfs/dbraw/zinc/72/31/65/567723165.db2.gz QSCYUJCIHRACKS-NSHDSACASA-N -1 3 378.837 3.038 20 30 GGEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)COCc1ccccc1 ZINC000443023772 567723939 /nfs/dbraw/zinc/72/39/39/567723939.db2.gz HTKHWIOPKJNXJV-AWEZNQCLSA-N -1 3 378.881 3.343 20 30 GGEDHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(Cl)c1 ZINC000508070896 567725060 /nfs/dbraw/zinc/72/50/60/567725060.db2.gz YKNGCQLBLDHNGB-UHFFFAOYSA-N -1 3 378.837 3.416 20 30 GGEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000508072480 567725115 /nfs/dbraw/zinc/72/51/15/567725115.db2.gz GWNLWYWGTYFAHA-MRXNPFEDSA-N -1 3 388.942 3.442 20 30 GGEDHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)N(C)C)cc1 ZINC000443039348 567726312 /nfs/dbraw/zinc/72/63/12/567726312.db2.gz SDOJAEFXJGWYFP-KRWDZBQOSA-N -1 3 377.897 3.101 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Br ZINC000443078444 567728834 /nfs/dbraw/zinc/72/88/34/567728834.db2.gz HDIPKBZDNFNBSY-OAHLLOKOSA-N -1 3 395.253 3.426 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000443072403 567729143 /nfs/dbraw/zinc/72/91/43/567729143.db2.gz RGDVMIZUQWDQMZ-FUHWJXTLSA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cccc(OCC(F)F)c1 ZINC000443070624 567729155 /nfs/dbraw/zinc/72/91/55/567729155.db2.gz REIIQEDVBUSPBI-UHFFFAOYSA-N -1 3 386.807 3.334 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Br ZINC000443078443 567729243 /nfs/dbraw/zinc/72/92/43/567729243.db2.gz HDIPKBZDNFNBSY-HNNXBMFYSA-N -1 3 395.253 3.426 20 30 GGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000508096286 567729339 /nfs/dbraw/zinc/72/93/39/567729339.db2.gz MRUBLICFUYMHPI-LBPRGKRZSA-N -1 3 397.747 3.416 20 30 GGEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)N(C)Cc1ccccc1 ZINC000443084713 567730154 /nfs/dbraw/zinc/73/01/54/567730154.db2.gz ZLIJPVXKZCXJPW-CQSZACIVSA-N -1 3 377.897 3.010 20 30 GGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000508142161 567732950 /nfs/dbraw/zinc/73/29/50/567732950.db2.gz MBGDUFMBXROWGM-LBPRGKRZSA-N -1 3 397.747 3.416 20 30 GGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000508142158 567733272 /nfs/dbraw/zinc/73/32/72/567733272.db2.gz MBGDUFMBXROWGM-GFCCVEGCSA-N -1 3 397.747 3.416 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1 ZINC000443120969 567734138 /nfs/dbraw/zinc/73/41/38/567734138.db2.gz BXZSNFIWFPGFIJ-CQSZACIVSA-N -1 3 375.881 3.159 20 30 GGEDHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)OCCc2sccc21 ZINC000573766598 567735504 /nfs/dbraw/zinc/73/55/04/567735504.db2.gz DQTDQDMKRPZJMY-MRXNPFEDSA-N -1 3 382.894 3.040 20 30 GGEDHM N#Cc1cccc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000573867608 567741585 /nfs/dbraw/zinc/74/15/85/567741585.db2.gz DOWIMHNLQOWKFY-UHFFFAOYSA-N -1 3 377.809 3.087 20 30 GGEDHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443242081 567742594 /nfs/dbraw/zinc/74/25/94/567742594.db2.gz BNRQOXNZNMKGFB-ROUUACIJSA-N -1 3 376.865 3.229 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1(c2cccc(Br)c2)CC1 ZINC000443246876 567743487 /nfs/dbraw/zinc/74/34/87/567743487.db2.gz HZQXRYDTIDLAFB-UHFFFAOYSA-N -1 3 395.253 3.427 20 30 GGEDHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000573953006 567745858 /nfs/dbraw/zinc/74/58/58/567745858.db2.gz VMUKKWBYJHIYBM-UHFFFAOYSA-N -1 3 377.853 3.104 20 30 GGEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)OCCc2sccc21 ZINC000554971114 567759623 /nfs/dbraw/zinc/75/96/23/567759623.db2.gz VMTFOKVHWDNTSP-INIZCTEOSA-N -1 3 382.894 3.040 20 30 GGEDHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000443496348 567762139 /nfs/dbraw/zinc/76/21/39/567762139.db2.gz BDCLJGUVWFTAEF-HIFRSBDPSA-N -1 3 378.881 3.045 20 30 GGEDHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000443497982 567762605 /nfs/dbraw/zinc/76/26/05/567762605.db2.gz FFZAXCLMFPZINB-CJNGLKHVSA-N -1 3 378.881 3.045 20 30 GGEDHM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000443496353 567762964 /nfs/dbraw/zinc/76/29/64/567762964.db2.gz BDCLJGUVWFTAEF-UKRRQHHQSA-N -1 3 378.881 3.045 20 30 GGEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000533549222 567774113 /nfs/dbraw/zinc/77/41/13/567774113.db2.gz KEKBEAKFIVGGPT-VIFPVBQESA-N -1 3 396.104 3.182 20 30 GGEDHM CCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000533555110 567775973 /nfs/dbraw/zinc/77/59/73/567775973.db2.gz DCWAEXSGWWFKOA-UHFFFAOYSA-N -1 3 377.853 3.039 20 30 GGEDHM CC(C)(C)CCOc1cnccc1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000574717170 567793427 /nfs/dbraw/zinc/79/34/27/567793427.db2.gz AZVWHPNHIYADMV-UHFFFAOYSA-N -1 3 379.507 3.308 20 30 GGEDHM O=S(=O)([N-]CCSCC(F)(F)F)c1ccc(C(F)(F)F)cc1F ZINC000444212140 567797000 /nfs/dbraw/zinc/79/70/00/567797000.db2.gz MDCPUEQNFGLTDN-UHFFFAOYSA-N -1 3 385.326 3.418 20 30 GGEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3csc(S(C)(=O)=O)c3)sc2C1 ZINC000534297590 567806826 /nfs/dbraw/zinc/80/68/26/567806826.db2.gz TYHCFKSRUYLWDP-SECBINFHSA-N -1 3 380.516 3.462 20 30 GGEDHM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000248756351 570296048 /nfs/dbraw/zinc/29/60/48/570296048.db2.gz JUWCXBLNQDROQH-XYPHTWIQSA-N -1 3 377.448 3.089 20 30 GGEDHM Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000072307249 570320929 /nfs/dbraw/zinc/32/09/29/570320929.db2.gz ASLVVDNTQJXGRJ-IRLDBZIGSA-N -1 3 393.487 3.141 20 30 GGEDHM C#C[C@H](CC)Oc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000225690201 570457212 /nfs/dbraw/zinc/45/72/12/570457212.db2.gz FNHMFMRFDRNJRD-GOSISDBHSA-N -1 3 392.455 3.330 20 30 GGEDHM Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000072307250 570525389 /nfs/dbraw/zinc/52/53/89/570525389.db2.gz ASLVVDNTQJXGRJ-RBBKRZOGSA-N -1 3 393.487 3.141 20 30 GGEDHM CCc1ccc(C(=O)[C@@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000007674039 571014741 /nfs/dbraw/zinc/01/47/41/571014741.db2.gz QBFWFWGFPYWTRX-OAHLLOKOSA-N -1 3 380.444 3.173 20 30 GGEDHM N#Cc1ccc(-c2cccc(CNC(=O)c3sccc3-c3nnn[n-]3)c2)s1 ZINC000737711061 598834224 /nfs/dbraw/zinc/83/42/24/598834224.db2.gz YCDRKKZUNNVMAN-UHFFFAOYSA-N -1 3 392.469 3.458 20 30 GGEDHM N#Cc1ccc(-c2cccc(CNC(=O)c3sccc3-c3nn[n-]n3)c2)s1 ZINC000737711061 598834226 /nfs/dbraw/zinc/83/42/26/598834226.db2.gz YCDRKKZUNNVMAN-UHFFFAOYSA-N -1 3 392.469 3.458 20 30 GGEDHM N#Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cc1 ZINC000737709492 598834426 /nfs/dbraw/zinc/83/44/26/598834426.db2.gz LJLPGGZABYYBSI-UHFFFAOYSA-N -1 3 386.440 3.397 20 30 GGEDHM C=CCOc1ccccc1C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000735435929 598888543 /nfs/dbraw/zinc/88/85/43/598888543.db2.gz BLJKGUKXAWHDLI-AWEZNQCLSA-N -1 3 380.404 3.056 20 30 GGEDHM C=CCOc1ccccc1C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000735435929 598888545 /nfs/dbraw/zinc/88/85/45/598888545.db2.gz BLJKGUKXAWHDLI-AWEZNQCLSA-N -1 3 380.404 3.056 20 30 GGEDHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)o2)cc1 ZINC000735496728 598914432 /nfs/dbraw/zinc/91/44/32/598914432.db2.gz JBWDGECDWROWAG-UHFFFAOYSA-N -1 3 398.382 3.453 20 30 GGEDHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)o2)cc1 ZINC000735496728 598914433 /nfs/dbraw/zinc/91/44/33/598914433.db2.gz JBWDGECDWROWAG-UHFFFAOYSA-N -1 3 398.382 3.453 20 30 GGEDHM N#Cc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000737718707 598916451 /nfs/dbraw/zinc/91/64/51/598916451.db2.gz MMFINOBLYNZVSJ-UHFFFAOYSA-N -1 3 377.166 3.437 20 30 GGEDHM N#Cc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000737718707 598916452 /nfs/dbraw/zinc/91/64/52/598916452.db2.gz MMFINOBLYNZVSJ-UHFFFAOYSA-N -1 3 377.166 3.437 20 30 GGEDHM N#Cc1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000737715670 598915772 /nfs/dbraw/zinc/91/57/72/598915772.db2.gz DHHBJFIDYBCGRU-UHFFFAOYSA-N -1 3 396.410 3.423 20 30 GGEDHM N#Cc1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000737715670 598915773 /nfs/dbraw/zinc/91/57/73/598915773.db2.gz DHHBJFIDYBCGRU-UHFFFAOYSA-N -1 3 396.410 3.423 20 30 GGEDHM N#Cc1cc(NC(=O)Cc2csc(-c3cccs3)n2)ccc1-c1nnn[n-]1 ZINC000737710442 598920186 /nfs/dbraw/zinc/92/01/86/598920186.db2.gz YBJPDRUNFJGOSZ-UHFFFAOYSA-N -1 3 393.457 3.105 20 30 GGEDHM N#Cc1cc(NC(=O)Cc2csc(-c3cccs3)n2)ccc1-c1nn[n-]n1 ZINC000737710442 598920189 /nfs/dbraw/zinc/92/01/89/598920189.db2.gz YBJPDRUNFJGOSZ-UHFFFAOYSA-N -1 3 393.457 3.105 20 30 GGEDHM N#Cc1ccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc1-c1nnn[n-]1 ZINC000737715888 598920379 /nfs/dbraw/zinc/92/03/79/598920379.db2.gz GYAPKTHJIBNODV-UHFFFAOYSA-N -1 3 383.415 3.305 20 30 GGEDHM N#Cc1ccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc1-c1nn[n-]n1 ZINC000737715888 598920381 /nfs/dbraw/zinc/92/03/81/598920381.db2.gz GYAPKTHJIBNODV-UHFFFAOYSA-N -1 3 383.415 3.305 20 30 GGEDHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737343052 598921196 /nfs/dbraw/zinc/92/11/96/598921196.db2.gz LTORTMXSDMFXIA-LLVKDONJSA-N -1 3 382.811 3.106 20 30 GGEDHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737343052 598921197 /nfs/dbraw/zinc/92/11/97/598921197.db2.gz LTORTMXSDMFXIA-LLVKDONJSA-N -1 3 382.811 3.106 20 30 GGEDHM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737563557 598921460 /nfs/dbraw/zinc/92/14/60/598921460.db2.gz PSWHMMSMBOJUEU-UHFFFAOYSA-N -1 3 377.389 3.016 20 30 GGEDHM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737563557 598921462 /nfs/dbraw/zinc/92/14/62/598921462.db2.gz PSWHMMSMBOJUEU-UHFFFAOYSA-N -1 3 377.389 3.016 20 30 GGEDHM CCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1-c1ccc(C)cc1 ZINC000736669794 598925199 /nfs/dbraw/zinc/92/51/99/598925199.db2.gz LCBGZMNBQZFPNF-UHFFFAOYSA-N -1 3 398.430 3.047 20 30 GGEDHM CCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1-c1ccc(C)cc1 ZINC000736669794 598925200 /nfs/dbraw/zinc/92/52/00/598925200.db2.gz LCBGZMNBQZFPNF-UHFFFAOYSA-N -1 3 398.430 3.047 20 30 GGEDHM C#CCOc1ccccc1CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735388223 598925410 /nfs/dbraw/zinc/92/54/10/598925410.db2.gz UMAIGTSAFAWCLR-UHFFFAOYSA-N -1 3 398.879 3.019 20 30 GGEDHM C#CCOc1ccccc1CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735388223 598925411 /nfs/dbraw/zinc/92/54/11/598925411.db2.gz UMAIGTSAFAWCLR-UHFFFAOYSA-N -1 3 398.879 3.019 20 30 GGEDHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000737279717 598927024 /nfs/dbraw/zinc/92/70/24/598927024.db2.gz PPUHMPUYPYIZDK-LLVKDONJSA-N -1 3 382.811 3.106 20 30 GGEDHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000737279717 598927026 /nfs/dbraw/zinc/92/70/26/598927026.db2.gz PPUHMPUYPYIZDK-LLVKDONJSA-N -1 3 382.811 3.106 20 30 GGEDHM N#Cc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000737718294 598927329 /nfs/dbraw/zinc/92/73/29/598927329.db2.gz GVSQBGXFGGDHHH-UHFFFAOYSA-N -1 3 376.273 3.149 20 30 GGEDHM N#Cc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000737718294 598927330 /nfs/dbraw/zinc/92/73/30/598927330.db2.gz GVSQBGXFGGDHHH-UHFFFAOYSA-N -1 3 376.273 3.149 20 30 GGEDHM CC(C)c1ccc(OCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735928626 598927356 /nfs/dbraw/zinc/92/73/56/598927356.db2.gz NEAKEHJZYKXYLP-UHFFFAOYSA-N -1 3 376.420 3.269 20 30 GGEDHM CC(C)c1ccc(OCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735928626 598927357 /nfs/dbraw/zinc/92/73/57/598927357.db2.gz NEAKEHJZYKXYLP-UHFFFAOYSA-N -1 3 376.420 3.269 20 30 GGEDHM Cc1ccccc1-c1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cs1 ZINC000737419489 598928883 /nfs/dbraw/zinc/92/88/83/598928883.db2.gz YBEASYCWVUTWGJ-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM Cc1ccccc1-c1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cs1 ZINC000737419489 598928884 /nfs/dbraw/zinc/92/88/84/598928884.db2.gz YBEASYCWVUTWGJ-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM CC(C)N(CCC#N)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735858760 598932300 /nfs/dbraw/zinc/93/23/00/598932300.db2.gz CPKNEYLJZIHDEW-UHFFFAOYSA-N -1 3 390.447 3.210 20 30 GGEDHM CC(C)N(CCC#N)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735858760 598932302 /nfs/dbraw/zinc/93/23/02/598932302.db2.gz CPKNEYLJZIHDEW-UHFFFAOYSA-N -1 3 390.447 3.210 20 30 GGEDHM CCN(C[C@@H](C)C#N)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736514584 598932795 /nfs/dbraw/zinc/93/27/95/598932795.db2.gz ZXSMEGRMVXESPF-HNNXBMFYSA-N -1 3 390.447 3.067 20 30 GGEDHM CCN(C[C@@H](C)C#N)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736514584 598932797 /nfs/dbraw/zinc/93/27/97/598932797.db2.gz ZXSMEGRMVXESPF-HNNXBMFYSA-N -1 3 390.447 3.067 20 30 GGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1sc(-c2cccnc2)nc1C ZINC000819773935 607253101 /nfs/dbraw/zinc/25/31/01/607253101.db2.gz XNUNTKGSKVYGPB-UHFFFAOYSA-N -1 3 390.476 3.207 20 30 GGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1sc(-c2cccnc2)nc1C ZINC000819773935 607253102 /nfs/dbraw/zinc/25/31/02/607253102.db2.gz XNUNTKGSKVYGPB-UHFFFAOYSA-N -1 3 390.476 3.207 20 30 GGEDHM N#C[C@H](C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)c1ccccn1 ZINC000737673063 598969436 /nfs/dbraw/zinc/96/94/36/598969436.db2.gz NAGGBYDRIDETRJ-SFHVURJKSA-N -1 3 396.410 3.331 20 30 GGEDHM N#C[C@H](C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)c1ccccn1 ZINC000737673063 598969440 /nfs/dbraw/zinc/96/94/40/598969440.db2.gz NAGGBYDRIDETRJ-SFHVURJKSA-N -1 3 396.410 3.331 20 30 GGEDHM C=CCc1ccc(OCCOc2ccc(-c3nnn[n-]3)cc2OC)c(OC)c1 ZINC000735442412 598977311 /nfs/dbraw/zinc/97/73/11/598977311.db2.gz ARJZCWRTNVBOCB-UHFFFAOYSA-N -1 3 382.420 3.070 20 30 GGEDHM C=CCc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2OC)c(OC)c1 ZINC000735442412 598977313 /nfs/dbraw/zinc/97/73/13/598977313.db2.gz ARJZCWRTNVBOCB-UHFFFAOYSA-N -1 3 382.420 3.070 20 30 GGEDHM C=CCN(CCOc1ccc(-c2nn[n-]n2)cc1OC)Cc1ccccc1F ZINC000735418394 598981726 /nfs/dbraw/zinc/98/17/26/598981726.db2.gz CQGIVWDDQOXKSB-UHFFFAOYSA-N -1 3 383.427 3.081 20 30 GGEDHM N#Cc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000737712426 599003532 /nfs/dbraw/zinc/00/35/32/599003532.db2.gz PUVSRRFBVSOWFW-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM COCCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821693807 599113162 /nfs/dbraw/zinc/11/31/62/599113162.db2.gz OJXYSYACOZXOOW-FOWTUZBSSA-N -1 3 376.416 3.104 20 30 GGEDHM COCCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821693807 599113164 /nfs/dbraw/zinc/11/31/64/599113164.db2.gz OJXYSYACOZXOOW-FOWTUZBSSA-N -1 3 376.416 3.104 20 30 GGEDHM CCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1OC ZINC000821417764 599115951 /nfs/dbraw/zinc/11/59/51/599115951.db2.gz RFDRXKRWLYADHU-GDNBJRDFSA-N -1 3 376.416 3.487 20 30 GGEDHM CCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1OC ZINC000821417764 599115954 /nfs/dbraw/zinc/11/59/54/599115954.db2.gz RFDRXKRWLYADHU-GDNBJRDFSA-N -1 3 376.416 3.487 20 30 GGEDHM COc1ccc(C=NNc2ccc(Br)c(C)c2)cc1-c1nnn[n-]1 ZINC000737081829 599128378 /nfs/dbraw/zinc/12/83/78/599128378.db2.gz CODPBNLEOOVHEF-UHFFFAOYSA-N -1 3 387.241 3.392 20 30 GGEDHM COc1ccc(C=NNc2ccc(Br)c(C)c2)cc1-c1nn[n-]n1 ZINC000737081829 599128381 /nfs/dbraw/zinc/12/83/81/599128381.db2.gz CODPBNLEOOVHEF-UHFFFAOYSA-N -1 3 387.241 3.392 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc([C@H](C)OCC)s1 ZINC000819745653 599145293 /nfs/dbraw/zinc/14/52/93/599145293.db2.gz NWQUADCWSCLJOA-ZDUSSCGKSA-N -1 3 398.492 3.249 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc([C@H](C)OCC)s1 ZINC000819745653 599145296 /nfs/dbraw/zinc/14/52/96/599145296.db2.gz NWQUADCWSCLJOA-ZDUSSCGKSA-N -1 3 398.492 3.249 20 30 GGEDHM N#C[C@@H](C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccn1 ZINC000737672863 599152220 /nfs/dbraw/zinc/15/22/20/599152220.db2.gz LCHRIRKGJOEDGN-LJQANCHMSA-N -1 3 396.410 3.331 20 30 GGEDHM Cc1c(C(=O)C=Cc2cccc(C#N)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203237 599157586 /nfs/dbraw/zinc/15/75/86/599157586.db2.gz SQUGNKQEXLHXRJ-BJMVGYQFSA-N -1 3 381.399 3.129 20 30 GGEDHM CC(C)c1ccc(C(=O)[C@@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC000736193514 599161525 /nfs/dbraw/zinc/16/15/25/599161525.db2.gz SGQBSUFVHDYRFJ-LLVKDONJSA-N -1 3 393.476 3.202 20 30 GGEDHM CC(C)c1ccc(C(=O)[C@@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1 ZINC000736193514 599161527 /nfs/dbraw/zinc/16/15/27/599161527.db2.gz SGQBSUFVHDYRFJ-LLVKDONJSA-N -1 3 393.476 3.202 20 30 GGEDHM COc1cc(C2(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)CCC2)ccc1C ZINC000737041020 599191838 /nfs/dbraw/zinc/19/18/38/599191838.db2.gz HONOPGVMFJNZJV-UHFFFAOYSA-N -1 3 388.431 3.116 20 30 GGEDHM COc1cc(C2(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)CCC2)ccc1C ZINC000737041020 599191840 /nfs/dbraw/zinc/19/18/40/599191840.db2.gz HONOPGVMFJNZJV-UHFFFAOYSA-N -1 3 388.431 3.116 20 30 GGEDHM N#Cc1ccc(NC(=O)c2cccc(Oc3nccs3)c2)cc1-c1nnn[n-]1 ZINC000737718890 599192966 /nfs/dbraw/zinc/19/29/66/599192966.db2.gz NRADXUPKAVSMBH-UHFFFAOYSA-N -1 3 389.400 3.239 20 30 GGEDHM N#Cc1ccc(NC(=O)c2cccc(Oc3nccs3)c2)cc1-c1nn[n-]n1 ZINC000737718890 599192970 /nfs/dbraw/zinc/19/29/70/599192970.db2.gz NRADXUPKAVSMBH-UHFFFAOYSA-N -1 3 389.400 3.239 20 30 GGEDHM Cc1ccc(Br)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737307146 599193864 /nfs/dbraw/zinc/19/38/64/599193864.db2.gz VXGDJYFKPWUDDF-UHFFFAOYSA-N -1 3 383.209 3.062 20 30 GGEDHM Cc1ccc(Br)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737307146 599193865 /nfs/dbraw/zinc/19/38/65/599193865.db2.gz VXGDJYFKPWUDDF-UHFFFAOYSA-N -1 3 383.209 3.062 20 30 GGEDHM N#Cc1ccc(NC(=O)COc2c(Cl)cccc2Cl)cc1-c1nnn[n-]1 ZINC000737716202 599198792 /nfs/dbraw/zinc/19/87/92/599198792.db2.gz MHDHAGBMGNJXRV-UHFFFAOYSA-N -1 3 389.202 3.063 20 30 GGEDHM N#Cc1ccc(NC(=O)COc2c(Cl)cccc2Cl)cc1-c1nn[n-]n1 ZINC000737716202 599198795 /nfs/dbraw/zinc/19/87/95/599198795.db2.gz MHDHAGBMGNJXRV-UHFFFAOYSA-N -1 3 389.202 3.063 20 30 GGEDHM N#Cc1cc(NC(=O)c2cc(Cl)nc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737710302 599200527 /nfs/dbraw/zinc/20/05/27/599200527.db2.gz WTSFRJNEEJMRQK-UHFFFAOYSA-N -1 3 375.779 3.192 20 30 GGEDHM N#Cc1cc(NC(=O)c2cc(Cl)nc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737710302 599200529 /nfs/dbraw/zinc/20/05/29/599200529.db2.gz WTSFRJNEEJMRQK-UHFFFAOYSA-N -1 3 375.779 3.192 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccn(C(CC)CC)n1 ZINC000819745506 607275549 /nfs/dbraw/zinc/27/55/49/607275549.db2.gz GVRXWTYSPURKMS-UHFFFAOYSA-N -1 3 379.468 3.253 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccn(C(CC)CC)n1 ZINC000819745506 607275550 /nfs/dbraw/zinc/27/55/50/607275550.db2.gz GVRXWTYSPURKMS-UHFFFAOYSA-N -1 3 379.468 3.253 20 30 GGEDHM C=C(C)COc1cccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819722365 599273843 /nfs/dbraw/zinc/27/38/43/599273843.db2.gz HPNSAQXTXFETDL-UHFFFAOYSA-N -1 3 394.435 3.022 20 30 GGEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1ccc(C#N)cc1 ZINC000736487079 599275419 /nfs/dbraw/zinc/27/54/19/599275419.db2.gz BWXOHFZSGDURNS-UHFFFAOYSA-N -1 3 393.476 3.291 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cn1 ZINC000735389875 598231041 /nfs/dbraw/zinc/23/10/41/598231041.db2.gz LTHFOIIBHYGYMC-UHFFFAOYSA-N -1 3 382.383 3.288 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000735389875 598231043 /nfs/dbraw/zinc/23/10/43/598231043.db2.gz LTHFOIIBHYGYMC-UHFFFAOYSA-N -1 3 382.383 3.288 20 30 GGEDHM N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737730716 598303764 /nfs/dbraw/zinc/30/37/64/598303764.db2.gz QKAQHQGQRXZBEJ-UHFFFAOYSA-N -1 3 398.401 3.474 20 30 GGEDHM N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737730716 598303765 /nfs/dbraw/zinc/30/37/65/598303765.db2.gz QKAQHQGQRXZBEJ-UHFFFAOYSA-N -1 3 398.401 3.474 20 30 GGEDHM O=[N+]([O-])c1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000738370275 598316405 /nfs/dbraw/zinc/31/64/05/598316405.db2.gz TYVAVJFGMUZLCN-UHFFFAOYSA-N -1 3 377.286 3.240 20 30 GGEDHM O=[N+]([O-])c1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000738370275 598316407 /nfs/dbraw/zinc/31/64/07/598316407.db2.gz TYVAVJFGMUZLCN-UHFFFAOYSA-N -1 3 377.286 3.240 20 30 GGEDHM C=CCCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735409292 598359046 /nfs/dbraw/zinc/35/90/46/598359046.db2.gz YFBDQZGFKNXEAE-NSHDSACASA-N -1 3 389.481 3.034 20 30 GGEDHM C=CCCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000735409292 598359048 /nfs/dbraw/zinc/35/90/48/598359048.db2.gz YFBDQZGFKNXEAE-NSHDSACASA-N -1 3 389.481 3.034 20 30 GGEDHM C[C@H](Sc1ccc(C#N)cc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736194265 598414212 /nfs/dbraw/zinc/41/42/12/598414212.db2.gz YUMNSWHJGGRJJI-JTQLQIEISA-N -1 3 396.501 3.408 20 30 GGEDHM C[C@H](Sc1ccc(C#N)cc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736194265 598414215 /nfs/dbraw/zinc/41/42/15/598414215.db2.gz YUMNSWHJGGRJJI-JTQLQIEISA-N -1 3 396.501 3.408 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)Nc1ccc(Cl)nc1 ZINC000735420122 598416184 /nfs/dbraw/zinc/41/61/84/598416184.db2.gz MNJLHTQRTVYZQL-UHFFFAOYSA-N -1 3 385.884 3.300 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)Nc1ccc(Cl)nc1 ZINC000735420122 598416185 /nfs/dbraw/zinc/41/61/85/598416185.db2.gz MNJLHTQRTVYZQL-UHFFFAOYSA-N -1 3 385.884 3.300 20 30 GGEDHM Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737216633 598436842 /nfs/dbraw/zinc/43/68/42/598436842.db2.gz UVJQGKUFELVQGQ-UHFFFAOYSA-N -1 3 399.867 3.100 20 30 GGEDHM Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737216633 598436843 /nfs/dbraw/zinc/43/68/43/598436843.db2.gz UVJQGKUFELVQGQ-UHFFFAOYSA-N -1 3 399.867 3.100 20 30 GGEDHM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000736113070 598479375 /nfs/dbraw/zinc/47/93/75/598479375.db2.gz WOOOWAYVRVMOGN-AWEZNQCLSA-N -1 3 387.447 3.174 20 30 GGEDHM C[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000736113070 598479376 /nfs/dbraw/zinc/47/93/76/598479376.db2.gz WOOOWAYVRVMOGN-AWEZNQCLSA-N -1 3 387.447 3.174 20 30 GGEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000735659550 598489612 /nfs/dbraw/zinc/48/96/12/598489612.db2.gz CKXKBUDOZROKFV-UHFFFAOYSA-N -1 3 395.492 3.167 20 30 GGEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000735659550 598489614 /nfs/dbraw/zinc/48/96/14/598489614.db2.gz CKXKBUDOZROKFV-UHFFFAOYSA-N -1 3 395.492 3.167 20 30 GGEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1SCCC#N ZINC000736190008 598494371 /nfs/dbraw/zinc/49/43/71/598494371.db2.gz VTGPUQLMKJTFDD-ZDUSSCGKSA-N -1 3 394.460 3.278 20 30 GGEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1SCCC#N ZINC000736190008 598494372 /nfs/dbraw/zinc/49/43/72/598494372.db2.gz VTGPUQLMKJTFDD-ZDUSSCGKSA-N -1 3 394.460 3.278 20 30 GGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735502486 598497640 /nfs/dbraw/zinc/49/76/40/598497640.db2.gz FITIKOUYHAPCDQ-ZDUSSCGKSA-N -1 3 393.476 3.169 20 30 GGEDHM C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735506459 598503262 /nfs/dbraw/zinc/50/32/62/598503262.db2.gz WTXPFYTZVJNEJM-ZDUSSCGKSA-N -1 3 393.476 3.169 20 30 GGEDHM C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735506459 598503263 /nfs/dbraw/zinc/50/32/63/598503263.db2.gz WTXPFYTZVJNEJM-ZDUSSCGKSA-N -1 3 393.476 3.169 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(SCC)nc1 ZINC000735418642 598513575 /nfs/dbraw/zinc/51/35/75/598513575.db2.gz HVRHJGXRWSHGRL-UHFFFAOYSA-N -1 3 380.477 3.202 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(SCC)nc1 ZINC000735418642 598513576 /nfs/dbraw/zinc/51/35/76/598513576.db2.gz HVRHJGXRWSHGRL-UHFFFAOYSA-N -1 3 380.477 3.202 20 30 GGEDHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C(C)(C)C#N ZINC000737281366 598542971 /nfs/dbraw/zinc/54/29/71/598542971.db2.gz WYMBSHBWKMQSQL-UHFFFAOYSA-N -1 3 376.420 3.242 20 30 GGEDHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C(C)(C)C#N ZINC000737281366 598542972 /nfs/dbraw/zinc/54/29/72/598542972.db2.gz WYMBSHBWKMQSQL-UHFFFAOYSA-N -1 3 376.420 3.242 20 30 GGEDHM CN1c2ccccc2C(C)(C)C1=CC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000736843807 598551510 /nfs/dbraw/zinc/55/15/10/598551510.db2.gz PGNFAZFXQDRYGD-GRSHGNNSSA-N -1 3 393.422 3.265 20 30 GGEDHM CN1c2ccccc2C(C)(C)C1=CC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000736843807 598551511 /nfs/dbraw/zinc/55/15/11/598551511.db2.gz PGNFAZFXQDRYGD-GRSHGNNSSA-N -1 3 393.422 3.265 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735977308 598557940 /nfs/dbraw/zinc/55/79/40/598557940.db2.gz VEJQVFKGOZAFDR-CYBMUJFWSA-N -1 3 393.476 3.312 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735977308 598557942 /nfs/dbraw/zinc/55/79/42/598557942.db2.gz VEJQVFKGOZAFDR-CYBMUJFWSA-N -1 3 393.476 3.312 20 30 GGEDHM C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115917 598561602 /nfs/dbraw/zinc/56/16/02/598561602.db2.gz KZTJDCLSCFSMMV-SNVBAGLBSA-N -1 3 399.361 3.222 20 30 GGEDHM C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115917 598561603 /nfs/dbraw/zinc/56/16/03/598561603.db2.gz KZTJDCLSCFSMMV-SNVBAGLBSA-N -1 3 399.361 3.222 20 30 GGEDHM Cc1sc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c(-c2nnn[n-]2)c1C ZINC000737560816 598574807 /nfs/dbraw/zinc/57/48/07/598574807.db2.gz HQPCNXHLGJZLGC-HNNXBMFYSA-N -1 3 393.476 3.024 20 30 GGEDHM Cc1sc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c(-c2nn[n-]n2)c1C ZINC000737560816 598574808 /nfs/dbraw/zinc/57/48/08/598574808.db2.gz HQPCNXHLGJZLGC-HNNXBMFYSA-N -1 3 393.476 3.024 20 30 GGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735426113 598627026 /nfs/dbraw/zinc/62/70/26/598627026.db2.gz KWOWLLINXYPMAQ-UHFFFAOYSA-N -1 3 377.383 3.098 20 30 GGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735426113 598627028 /nfs/dbraw/zinc/62/70/28/598627028.db2.gz KWOWLLINXYPMAQ-UHFFFAOYSA-N -1 3 377.383 3.098 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(N(C)C)c(F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204026 598639805 /nfs/dbraw/zinc/63/98/05/598639805.db2.gz XJYIUBCEWITLBN-VQHVLOKHSA-N -1 3 380.427 3.024 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(N(C)C)c(F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204026 598639807 /nfs/dbraw/zinc/63/98/07/598639807.db2.gz XJYIUBCEWITLBN-VQHVLOKHSA-N -1 3 380.427 3.024 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(O[C@H](C)C#N)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204084 598640703 /nfs/dbraw/zinc/64/07/03/598640703.db2.gz XRMFTVJIZOFROY-UTSBKAFOSA-N -1 3 388.431 3.110 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(O[C@H](C)C#N)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204084 598640705 /nfs/dbraw/zinc/64/07/05/598640705.db2.gz XRMFTVJIZOFROY-UTSBKAFOSA-N -1 3 388.431 3.110 20 30 GGEDHM CCN(C(=O)CSc1ccc(C#N)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504868 598651861 /nfs/dbraw/zinc/65/18/61/598651861.db2.gz IFRZHDWROGVQMJ-CQSZACIVSA-N -1 3 392.488 3.440 20 30 GGEDHM CCN(C(=O)CSc1ccc(C#N)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504868 598651862 /nfs/dbraw/zinc/65/18/62/598651862.db2.gz IFRZHDWROGVQMJ-CQSZACIVSA-N -1 3 392.488 3.440 20 30 GGEDHM C=CCN(Cc1ccccc1F)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735426590 598654437 /nfs/dbraw/zinc/65/44/37/598654437.db2.gz SEXGAEMPHDZKBA-UHFFFAOYSA-N -1 3 383.452 3.313 20 30 GGEDHM C=CCN(Cc1ccccc1F)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735426590 598654439 /nfs/dbraw/zinc/65/44/39/598654439.db2.gz SEXGAEMPHDZKBA-UHFFFAOYSA-N -1 3 383.452 3.313 20 30 GGEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000737294061 598656207 /nfs/dbraw/zinc/65/62/07/598656207.db2.gz KYEUCXHMGWJSNU-UHFFFAOYSA-N -1 3 397.398 3.486 20 30 GGEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000737294061 598656209 /nfs/dbraw/zinc/65/62/09/598656209.db2.gz KYEUCXHMGWJSNU-UHFFFAOYSA-N -1 3 397.398 3.486 20 30 GGEDHM C#CCOc1ccccc1OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735387799 598664167 /nfs/dbraw/zinc/66/41/67/598664167.db2.gz GLPBEGPEKCCBLV-UHFFFAOYSA-N -1 3 392.415 3.033 20 30 GGEDHM C#CCOc1ccccc1OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735387799 598664168 /nfs/dbraw/zinc/66/41/68/598664168.db2.gz GLPBEGPEKCCBLV-UHFFFAOYSA-N -1 3 392.415 3.033 20 30 GGEDHM C=CC1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CC1 ZINC000735403297 598693908 /nfs/dbraw/zinc/69/39/08/598693908.db2.gz UNOJUCJCVSBVIE-UHFFFAOYSA-N -1 3 376.464 3.312 20 30 GGEDHM C=CCOc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735435933 598713409 /nfs/dbraw/zinc/71/34/09/598713409.db2.gz BNDVEDRTWRSNNO-UHFFFAOYSA-N -1 3 395.467 3.310 20 30 GGEDHM C=CCOc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735435933 598713410 /nfs/dbraw/zinc/71/34/10/598713410.db2.gz BNDVEDRTWRSNNO-UHFFFAOYSA-N -1 3 395.467 3.310 20 30 GGEDHM C#Cc1ccc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nc1 ZINC000735390139 598780186 /nfs/dbraw/zinc/78/01/86/598780186.db2.gz PIJVDDREUNKOQU-UHFFFAOYSA-N -1 3 381.395 3.267 20 30 GGEDHM C#Cc1ccc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nc1 ZINC000735390139 598780187 /nfs/dbraw/zinc/78/01/87/598780187.db2.gz PIJVDDREUNKOQU-UHFFFAOYSA-N -1 3 381.395 3.267 20 30 GGEDHM CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820232824 607369015 /nfs/dbraw/zinc/36/90/15/607369015.db2.gz HGWWGNLBHZPRSZ-INIZCTEOSA-N -1 3 385.472 3.444 20 30 GGEDHM CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820232824 607369017 /nfs/dbraw/zinc/36/90/17/607369017.db2.gz HGWWGNLBHZPRSZ-INIZCTEOSA-N -1 3 385.472 3.444 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C)c(OCC)c1 ZINC000735420745 598822457 /nfs/dbraw/zinc/82/24/57/598822457.db2.gz RSBMJRHSRUBMTI-UHFFFAOYSA-N -1 3 377.448 3.402 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C)c(OCC)c1 ZINC000735420745 598822458 /nfs/dbraw/zinc/82/24/58/598822458.db2.gz RSBMJRHSRUBMTI-UHFFFAOYSA-N -1 3 377.448 3.402 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COc1cccc(Cl)c1C ZINC000735420264 599373311 /nfs/dbraw/zinc/37/33/11/599373311.db2.gz NTCFFIQHABLGPT-UHFFFAOYSA-N -1 3 397.866 3.422 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COc1cccc(Cl)c1C ZINC000735420264 599373313 /nfs/dbraw/zinc/37/33/13/599373313.db2.gz NTCFFIQHABLGPT-UHFFFAOYSA-N -1 3 397.866 3.422 20 30 GGEDHM COc1ccc(C#N)cc1CSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000821769929 607377958 /nfs/dbraw/zinc/37/79/58/607377958.db2.gz MJTXACSQQUZGNE-UHFFFAOYSA-N -1 3 378.461 3.313 20 30 GGEDHM COc1ccc(C#N)cc1CSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000821769929 607377960 /nfs/dbraw/zinc/37/79/60/607377960.db2.gz MJTXACSQQUZGNE-UHFFFAOYSA-N -1 3 378.461 3.313 20 30 GGEDHM CC(C)c1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)CO2 ZINC000735927798 599461715 /nfs/dbraw/zinc/46/17/15/599461715.db2.gz BTWGLKBFZKIPLS-VIZOYTHASA-N -1 3 386.415 3.297 20 30 GGEDHM CC(C)c1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)CO2 ZINC000735927798 599461716 /nfs/dbraw/zinc/46/17/16/599461716.db2.gz BTWGLKBFZKIPLS-VIZOYTHASA-N -1 3 386.415 3.297 20 30 GGEDHM C=CCc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000819759229 599518298 /nfs/dbraw/zinc/51/82/98/599518298.db2.gz QHMZSOBWDYZJTQ-CYBMUJFWSA-N -1 3 393.447 3.103 20 30 GGEDHM C=CCc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000819759229 599518300 /nfs/dbraw/zinc/51/83/00/599518300.db2.gz QHMZSOBWDYZJTQ-CYBMUJFWSA-N -1 3 393.447 3.103 20 30 GGEDHM N#Cc1cccc(Cl)c1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822837379 599526928 /nfs/dbraw/zinc/52/69/28/599526928.db2.gz LUEBVBHPXROPCT-UHFFFAOYSA-N -1 3 380.839 3.440 20 30 GGEDHM C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820374204 599556956 /nfs/dbraw/zinc/55/69/56/599556956.db2.gz MWPJZYKCEQODHR-GFCCVEGCSA-N -1 3 378.440 3.178 20 30 GGEDHM C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820374204 599556958 /nfs/dbraw/zinc/55/69/58/599556958.db2.gz MWPJZYKCEQODHR-GFCCVEGCSA-N -1 3 378.440 3.178 20 30 GGEDHM N#Cc1cccc(CNC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737721972 599562969 /nfs/dbraw/zinc/56/29/69/599562969.db2.gz DEXJAECAJXZUNR-UHFFFAOYSA-N -1 3 395.426 3.412 20 30 GGEDHM CCN(C[C@H](C)C#N)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736511656 599564653 /nfs/dbraw/zinc/56/46/53/599564653.db2.gz FUVJQLPOQZSHBU-CQSZACIVSA-N -1 3 375.436 3.232 20 30 GGEDHM CCC(CC)CN(CCC#N)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820893767 599640341 /nfs/dbraw/zinc/64/03/41/599640341.db2.gz VDLWKNCCNQYNDR-UHFFFAOYSA-N -1 3 380.456 3.069 20 30 GGEDHM CCC(CC)CN(CCC#N)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820893767 599640342 /nfs/dbraw/zinc/64/03/42/599640342.db2.gz VDLWKNCCNQYNDR-UHFFFAOYSA-N -1 3 380.456 3.069 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(CC)(CC)SC ZINC000819742875 599679794 /nfs/dbraw/zinc/67/97/94/599679794.db2.gz BDSUJUMIXBVJJZ-UHFFFAOYSA-N -1 3 388.541 3.486 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(CC)(CC)SC ZINC000819742875 599679795 /nfs/dbraw/zinc/67/97/95/599679795.db2.gz BDSUJUMIXBVJJZ-UHFFFAOYSA-N -1 3 388.541 3.486 20 30 GGEDHM C=CCN(Cc1nc([C@H](C)OCC(C)C)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745500 599683518 /nfs/dbraw/zinc/68/35/18/599683518.db2.gz GRSHHZQISUBMNK-HNNXBMFYSA-N -1 3 397.483 3.172 20 30 GGEDHM C=CCN(Cc1nc([C@H](C)OCC(C)C)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745500 599683519 /nfs/dbraw/zinc/68/35/19/599683519.db2.gz GRSHHZQISUBMNK-HNNXBMFYSA-N -1 3 397.483 3.172 20 30 GGEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCCOc1cccc(C#N)c1 ZINC000826253519 607403444 /nfs/dbraw/zinc/40/34/44/607403444.db2.gz UANHMOPGSRJJGM-UHFFFAOYSA-N -1 3 391.431 3.339 20 30 GGEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCCOc1cccc(C#N)c1 ZINC000826253519 607403446 /nfs/dbraw/zinc/40/34/46/607403446.db2.gz UANHMOPGSRJJGM-UHFFFAOYSA-N -1 3 391.431 3.339 20 30 GGEDHM C=CCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000819734187 607404978 /nfs/dbraw/zinc/40/49/78/607404978.db2.gz JVAUOOMVJCFXBY-CRAIPNDOSA-N -1 3 377.448 3.458 20 30 GGEDHM C=CCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000819734187 607404979 /nfs/dbraw/zinc/40/49/79/607404979.db2.gz JVAUOOMVJCFXBY-CRAIPNDOSA-N -1 3 377.448 3.458 20 30 GGEDHM CN(CCCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000737415252 599911906 /nfs/dbraw/zinc/91/19/06/599911906.db2.gz IDNLWGRWPRBVNJ-GFCCVEGCSA-N -1 3 385.392 3.039 20 30 GGEDHM C=CCOc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1OC ZINC000823932148 607409061 /nfs/dbraw/zinc/40/90/61/607409061.db2.gz QAGLJIFAYXCOAC-UHFFFAOYSA-N -1 3 380.404 3.106 20 30 GGEDHM C=CCOc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1OC ZINC000823932148 607409062 /nfs/dbraw/zinc/40/90/62/607409062.db2.gz QAGLJIFAYXCOAC-UHFFFAOYSA-N -1 3 380.404 3.106 20 30 GGEDHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(F)F ZINC000737882187 600562392 /nfs/dbraw/zinc/56/23/92/600562392.db2.gz URLQZKGBBBEZGW-QGZVFWFLSA-N -1 3 376.359 3.426 20 30 GGEDHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC(F)F ZINC000737995922 600563485 /nfs/dbraw/zinc/56/34/85/600563485.db2.gz UEYNVCMFCBWCHC-KRWDZBQOSA-N -1 3 376.359 3.426 20 30 GGEDHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(F)F ZINC000737191344 600594543 /nfs/dbraw/zinc/59/45/43/600594543.db2.gz IOCBHUSASAZKLJ-QGZVFWFLSA-N -1 3 376.359 3.474 20 30 GGEDHM N#Cc1ccc([C@@H](NCc2cccc(NC(=O)c3ccccn3)c2)C(=O)[O-])cc1 ZINC000739108959 600595222 /nfs/dbraw/zinc/59/52/22/600595222.db2.gz YYTWTTBZVASBKS-HXUWFJFHSA-N -1 3 386.411 3.121 20 30 GGEDHM CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2NC1=O ZINC000829170579 600694924 /nfs/dbraw/zinc/69/49/24/600694924.db2.gz WHECUXKBIHLMDN-OYYNGEPBSA-N -1 3 379.416 3.144 20 30 GGEDHM CC[C@@H]1Oc2cc([C@H](C)N[C@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2NC1=O ZINC000829170577 600695120 /nfs/dbraw/zinc/69/51/20/600695120.db2.gz WHECUXKBIHLMDN-KHDYIWLOSA-N -1 3 379.416 3.144 20 30 GGEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832000136 601236682 /nfs/dbraw/zinc/23/66/82/601236682.db2.gz JXNDHUQHOZRARJ-JHJVBQTASA-N -1 3 392.839 3.195 20 30 GGEDHM N#Cc1cccc([C@@H](NCc2cccc(COC3CCOCC3)c2)C(=O)[O-])c1 ZINC000833076672 601305862 /nfs/dbraw/zinc/30/58/62/601305862.db2.gz XUXVEWFJVXINNN-OAQYLSRUSA-N -1 3 380.444 3.169 20 30 GGEDHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(F)F ZINC000831989841 601309298 /nfs/dbraw/zinc/30/92/98/601309298.db2.gz NVTJRHYTRXPHHC-QGZVFWFLSA-N -1 3 376.359 3.426 20 30 GGEDHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC(F)F ZINC000832310432 601311844 /nfs/dbraw/zinc/31/18/44/601311844.db2.gz ANDKAZFLAUSFNL-KRWDZBQOSA-N -1 3 376.359 3.426 20 30 GGEDHM COc1cccc(OC)c1OC1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832568233 601311900 /nfs/dbraw/zinc/31/19/00/601311900.db2.gz ZXTONAKGDZFWEM-FQEVSTJZSA-N -1 3 396.443 3.245 20 30 GGEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000833074113 601322334 /nfs/dbraw/zinc/32/23/34/601322334.db2.gz PBPYVINPOZNGPD-LJQANCHMSA-N -1 3 381.388 3.136 20 30 GGEDHM COc1cc(C#N)ccc1OCCN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000831860798 601901417 /nfs/dbraw/zinc/90/14/17/601901417.db2.gz CLZPZSMTWUBKFH-SFHVURJKSA-N -1 3 394.349 3.121 20 30 GGEDHM CN(CCC(=O)Nc1ccccc1C#N)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727032 601906414 /nfs/dbraw/zinc/90/64/14/601906414.db2.gz GFRBHEUYGQOKCA-SFHVURJKSA-N -1 3 391.349 3.062 20 30 GGEDHM N#CC(C(=O)Nc1ccccn1)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833062407 602033551 /nfs/dbraw/zinc/03/35/51/602033551.db2.gz BHLOIGVBSDKFNG-GFCCVEGCSA-N -1 3 392.293 3.151 20 30 GGEDHM C#CCN1CCC(C(=O)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)CC1 ZINC000825614697 602062131 /nfs/dbraw/zinc/06/21/31/602062131.db2.gz VKECKXOCUMMBGW-UHFFFAOYSA-N -1 3 392.455 3.248 20 30 GGEDHM C=CCc1ccccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823936941 607575882 /nfs/dbraw/zinc/57/58/82/607575882.db2.gz AMFKYKUPIYKXIV-UHFFFAOYSA-N -1 3 376.825 3.016 20 30 GGEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC#Cc1ccccc1Cl ZINC000824172273 607613105 /nfs/dbraw/zinc/61/31/05/607613105.db2.gz IZHRODKSJMQYSS-UHFFFAOYSA-N -1 3 396.834 3.272 20 30 GGEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#Cc1ccccc1Cl ZINC000824172273 607613106 /nfs/dbraw/zinc/61/31/06/607613106.db2.gz IZHRODKSJMQYSS-UHFFFAOYSA-N -1 3 396.834 3.272 20 30 GGEDHM C=CCn1c2ccccc2nc1SCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823937166 607653921 /nfs/dbraw/zinc/65/39/21/607653921.db2.gz KUVDRHFLSYETLT-UHFFFAOYSA-N -1 3 376.445 3.377 20 30 GGEDHM C=CCn1c2ccccc2nc1SCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823937166 607653922 /nfs/dbraw/zinc/65/39/22/607653922.db2.gz KUVDRHFLSYETLT-UHFFFAOYSA-N -1 3 376.445 3.377 20 30 GGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000826250417 607655456 /nfs/dbraw/zinc/65/54/56/607655456.db2.gz ACKHRFJOKPVCFB-UHFFFAOYSA-N -1 3 380.411 3.222 20 30 GGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000826250417 607655457 /nfs/dbraw/zinc/65/54/57/607655457.db2.gz ACKHRFJOKPVCFB-UHFFFAOYSA-N -1 3 380.411 3.222 20 30 GGEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824148548 607672981 /nfs/dbraw/zinc/67/29/81/607672981.db2.gz ZIRBPHZQXLAXJD-UHFFFAOYSA-N -1 3 390.451 3.106 20 30 GGEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824148548 607672983 /nfs/dbraw/zinc/67/29/83/607672983.db2.gz ZIRBPHZQXLAXJD-UHFFFAOYSA-N -1 3 390.451 3.106 20 30 GGEDHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000832041363 604467847 /nfs/dbraw/zinc/46/78/47/604467847.db2.gz RQWYIIPJRJGDGP-NRFANRHFSA-N -1 3 396.443 3.245 20 30 GGEDHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000832040730 604469930 /nfs/dbraw/zinc/46/99/30/604469930.db2.gz IRIDRRYIYQWKEO-NRFANRHFSA-N -1 3 396.443 3.245 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC000833369314 604601459 /nfs/dbraw/zinc/60/14/59/604601459.db2.gz QSSVRONHDUJARD-UHFFFAOYSA-N -1 3 377.510 3.415 20 30 GGEDHM C=CCc1cc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc(OC)c1O ZINC000833379938 604638292 /nfs/dbraw/zinc/63/82/92/604638292.db2.gz QQAPZLANZRPJQW-UHFFFAOYSA-N -1 3 377.387 3.494 20 30 GGEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000825972256 607711533 /nfs/dbraw/zinc/71/15/33/607711533.db2.gz YEGFVLPRCCXTNX-GOSISDBHSA-N -1 3 375.436 3.053 20 30 GGEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000825972256 607711535 /nfs/dbraw/zinc/71/15/35/607711535.db2.gz YEGFVLPRCCXTNX-GOSISDBHSA-N -1 3 375.436 3.053 20 30 GGEDHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000833416985 604947359 /nfs/dbraw/zinc/94/73/59/604947359.db2.gz IXHSRSWUPOYCFB-UONOGXRCSA-N -1 3 385.489 3.295 20 30 GGEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000833416984 604947683 /nfs/dbraw/zinc/94/76/83/604947683.db2.gz IXHSRSWUPOYCFB-KGLIPLIRSA-N -1 3 385.489 3.295 20 30 GGEDHM C=CCC[C@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000833373466 605144422 /nfs/dbraw/zinc/14/44/22/605144422.db2.gz PYWDPTYCOJMVMO-SFTDATJTSA-N -1 3 378.472 3.322 20 30 GGEDHM C#CC[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(C)C ZINC000819692354 606135069 /nfs/dbraw/zinc/13/50/69/606135069.db2.gz DLAJSDQGDCZJKS-QGZVFWFLSA-N -1 3 377.404 3.259 20 30 GGEDHM C#CC[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(C)C ZINC000819692354 606135070 /nfs/dbraw/zinc/13/50/70/606135070.db2.gz DLAJSDQGDCZJKS-QGZVFWFLSA-N -1 3 377.404 3.259 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000819745528 606158551 /nfs/dbraw/zinc/15/85/51/606158551.db2.gz HQFVWTALUWYCAZ-UHFFFAOYSA-N -1 3 394.435 3.362 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000819745528 606158552 /nfs/dbraw/zinc/15/85/52/606158552.db2.gz HQFVWTALUWYCAZ-UHFFFAOYSA-N -1 3 394.435 3.362 20 30 GGEDHM CC(C)[C@@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820016223 606168660 /nfs/dbraw/zinc/16/86/60/606168660.db2.gz KMBYWWJQKDDYGE-GOSISDBHSA-N -1 3 377.404 3.151 20 30 GGEDHM CC(C)[C@@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820016223 606168662 /nfs/dbraw/zinc/16/86/62/606168662.db2.gz KMBYWWJQKDDYGE-GOSISDBHSA-N -1 3 377.404 3.151 20 30 GGEDHM FC(F)(F)c1ccccc1NC(=S)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822728424 606204721 /nfs/dbraw/zinc/20/47/21/606204721.db2.gz IMYXALWJYLONLF-UHFFFAOYSA-N -1 3 397.411 3.268 20 30 GGEDHM FC(F)(F)c1ccccc1NC(=S)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822728424 606204722 /nfs/dbraw/zinc/20/47/22/606204722.db2.gz IMYXALWJYLONLF-UHFFFAOYSA-N -1 3 397.411 3.268 20 30 GGEDHM N#C[C@H](OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000822801526 606205946 /nfs/dbraw/zinc/20/59/46/606205946.db2.gz KIYIQXVAQYWUPO-INIZCTEOSA-N -1 3 377.429 3.477 20 30 GGEDHM N#C[C@H](OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000822801526 606205947 /nfs/dbraw/zinc/20/59/47/606205947.db2.gz KIYIQXVAQYWUPO-INIZCTEOSA-N -1 3 377.429 3.477 20 30 GGEDHM C[C@H](C#N)CN(C)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819844944 606256682 /nfs/dbraw/zinc/25/66/82/606256682.db2.gz PHWYQURGQRUUPU-CYBMUJFWSA-N -1 3 378.461 3.250 20 30 GGEDHM C[C@H](C#N)CN(C)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819844944 606256684 /nfs/dbraw/zinc/25/66/84/606256684.db2.gz PHWYQURGQRUUPU-CYBMUJFWSA-N -1 3 378.461 3.250 20 30 GGEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822837679 606267071 /nfs/dbraw/zinc/26/70/71/606267071.db2.gz RLOOMJFJIWJTSI-UHFFFAOYSA-N -1 3 380.383 3.065 20 30 GGEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822837679 606267073 /nfs/dbraw/zinc/26/70/73/606267073.db2.gz RLOOMJFJIWJTSI-UHFFFAOYSA-N -1 3 380.383 3.065 20 30 GGEDHM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822211847 606269609 /nfs/dbraw/zinc/26/96/09/606269609.db2.gz QEZCGOCWCAIOBI-UHFFFAOYSA-N -1 3 399.414 3.206 20 30 GGEDHM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822211847 606269611 /nfs/dbraw/zinc/26/96/11/606269611.db2.gz QEZCGOCWCAIOBI-UHFFFAOYSA-N -1 3 399.414 3.206 20 30 GGEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)nnn1-c1cccc(Cl)c1 ZINC000822015492 606305748 /nfs/dbraw/zinc/30/57/48/606305748.db2.gz KSXBSJXXGIJANB-WAYWQWQTSA-N -1 3 397.851 3.367 20 30 GGEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)nnn1-c1cccc(Cl)c1 ZINC000822015492 606305750 /nfs/dbraw/zinc/30/57/50/606305750.db2.gz KSXBSJXXGIJANB-WAYWQWQTSA-N -1 3 397.851 3.367 20 30 GGEDHM C[C@@H](CC#N)N(C)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820218990 606319896 /nfs/dbraw/zinc/31/98/96/606319896.db2.gz BPFVLEKBIYBFRT-ZDUSSCGKSA-N -1 3 378.461 3.392 20 30 GGEDHM C[C@@H](CC#N)N(C)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820218990 606319898 /nfs/dbraw/zinc/31/98/98/606319898.db2.gz BPFVLEKBIYBFRT-ZDUSSCGKSA-N -1 3 378.461 3.392 20 30 GGEDHM N#CCSc1ccccc1NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822814125 606326403 /nfs/dbraw/zinc/32/64/03/606326403.db2.gz BJIKOAISXKKAAR-UHFFFAOYSA-N -1 3 382.474 3.213 20 30 GGEDHM N#CCSc1ccccc1NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822814125 606326404 /nfs/dbraw/zinc/32/64/04/606326404.db2.gz BJIKOAISXKKAAR-UHFFFAOYSA-N -1 3 382.474 3.213 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488905 606355764 /nfs/dbraw/zinc/35/57/64/606355764.db2.gz WQNARVIEOORXMT-AUUYWEPGSA-N -1 3 391.431 3.446 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488905 606355766 /nfs/dbraw/zinc/35/57/66/606355766.db2.gz WQNARVIEOORXMT-AUUYWEPGSA-N -1 3 391.431 3.446 20 30 GGEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488907 606355922 /nfs/dbraw/zinc/35/59/22/606355922.db2.gz WQNARVIEOORXMT-KUHUBIRLSA-N -1 3 391.431 3.446 20 30 GGEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488907 606355924 /nfs/dbraw/zinc/35/59/24/606355924.db2.gz WQNARVIEOORXMT-KUHUBIRLSA-N -1 3 391.431 3.446 20 30 GGEDHM N#Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000822842365 606394541 /nfs/dbraw/zinc/39/45/41/606394541.db2.gz FAPAWECDKBLNKJ-QPEQYQDCSA-N -1 3 396.482 3.206 20 30 GGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822802032 606420780 /nfs/dbraw/zinc/42/07/80/606420780.db2.gz UMDKNGKPHSXCNX-HZPDHXFCSA-N -1 3 375.392 3.051 20 30 GGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822802032 606420781 /nfs/dbraw/zinc/42/07/81/606420781.db2.gz UMDKNGKPHSXCNX-HZPDHXFCSA-N -1 3 375.392 3.051 20 30 GGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000822801721 606447274 /nfs/dbraw/zinc/44/72/74/606447274.db2.gz NEPUVORMMIOZGC-WOJBJXKFSA-N -1 3 386.459 3.098 20 30 GGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000822801721 606447275 /nfs/dbraw/zinc/44/72/75/606447275.db2.gz NEPUVORMMIOZGC-WOJBJXKFSA-N -1 3 386.459 3.098 20 30 GGEDHM N#C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000822801687 606557271 /nfs/dbraw/zinc/55/72/71/606557271.db2.gz MJVMKSNZIVXZNR-CQSZACIVSA-N -1 3 387.230 3.097 20 30 GGEDHM N#C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000822801687 606557272 /nfs/dbraw/zinc/55/72/72/606557272.db2.gz MJVMKSNZIVXZNR-CQSZACIVSA-N -1 3 387.230 3.097 20 30 GGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822801604 606577094 /nfs/dbraw/zinc/57/70/94/606577094.db2.gz KSAIVWFSYNZXPI-WMZOPIPTSA-N -1 3 391.410 3.309 20 30 GGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822801604 606577096 /nfs/dbraw/zinc/57/70/96/606577096.db2.gz KSAIVWFSYNZXPI-WMZOPIPTSA-N -1 3 391.410 3.309 20 30 GGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822802231 606580240 /nfs/dbraw/zinc/58/02/40/606580240.db2.gz XPDAJCLNOIUNBU-SJLPKXTDSA-N -1 3 391.410 3.309 20 30 GGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822802231 606580242 /nfs/dbraw/zinc/58/02/42/606580242.db2.gz XPDAJCLNOIUNBU-SJLPKXTDSA-N -1 3 391.410 3.309 20 30 GGEDHM N#Cc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c(OC(F)F)c1 ZINC000822825699 606595945 /nfs/dbraw/zinc/59/59/45/606595945.db2.gz LTUDZNQDIFWVTM-UHFFFAOYSA-N -1 3 393.357 3.252 20 30 GGEDHM N#Cc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c(OC(F)F)c1 ZINC000822825699 606595946 /nfs/dbraw/zinc/59/59/46/606595946.db2.gz LTUDZNQDIFWVTM-UHFFFAOYSA-N -1 3 393.357 3.252 20 30 GGEDHM N#CC1(OC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CCC1 ZINC000822801124 606801661 /nfs/dbraw/zinc/80/16/61/606801661.db2.gz DZKAVKGFDUFQLK-UHFFFAOYSA-N -1 3 375.388 3.049 20 30 GGEDHM Cc1ccc(-c2cncc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2)cc1 ZINC000822213792 606867882 /nfs/dbraw/zinc/86/78/82/606867882.db2.gz ATKYJQRKAXOXES-UHFFFAOYSA-N -1 3 381.399 3.361 20 30 GGEDHM Cc1ccc(-c2cncc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2)cc1 ZINC000822213792 606867884 /nfs/dbraw/zinc/86/78/84/606867884.db2.gz ATKYJQRKAXOXES-UHFFFAOYSA-N -1 3 381.399 3.361 20 30 GGEDHM C=CCC(CC=C)C(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819734516 607004083 /nfs/dbraw/zinc/00/40/83/607004083.db2.gz PNZLTUWNOYXTKG-NSHDSACASA-N -1 3 389.843 3.159 20 30 GGEDHM C=CCC(CC=C)C(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819734516 607004085 /nfs/dbraw/zinc/00/40/85/607004085.db2.gz PNZLTUWNOYXTKG-NSHDSACASA-N -1 3 389.843 3.159 20 30 GGEDHM C=CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1ccco1 ZINC000819764151 607006288 /nfs/dbraw/zinc/00/62/88/607006288.db2.gz FXSIDXFCBBZRCK-UHFFFAOYSA-N -1 3 383.412 3.336 20 30 GGEDHM C=CCn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1ccco1 ZINC000819764151 607006290 /nfs/dbraw/zinc/00/62/90/607006290.db2.gz FXSIDXFCBBZRCK-UHFFFAOYSA-N -1 3 383.412 3.336 20 30 GGEDHM N#Cc1cccnc1NCCCCCCCNc1ncccc1-c1nnn[n-]1 ZINC000822842432 607041830 /nfs/dbraw/zinc/04/18/30/607041830.db2.gz IBIXKDLLGQGFJF-UHFFFAOYSA-N -1 3 377.456 3.003 20 30 GGEDHM N#Cc1cccnc1NCCCCCCCNc1ncccc1-c1nn[n-]n1 ZINC000822842432 607041831 /nfs/dbraw/zinc/04/18/31/607041831.db2.gz IBIXKDLLGQGFJF-UHFFFAOYSA-N -1 3 377.456 3.003 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1cc(F)ccc1C#N ZINC000820032466 607080227 /nfs/dbraw/zinc/08/02/27/607080227.db2.gz NYYKJOKYWJRLCO-GOSISDBHSA-N -1 3 395.394 3.024 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1cc(F)ccc1C#N ZINC000820032466 607080228 /nfs/dbraw/zinc/08/02/28/607080228.db2.gz NYYKJOKYWJRLCO-GOSISDBHSA-N -1 3 395.394 3.024 20 30 GGEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccccc1C(C)(C)C#N ZINC000820533929 607154701 /nfs/dbraw/zinc/15/47/01/607154701.db2.gz HVLLKDFAAOBXAH-AWEZNQCLSA-N -1 3 391.431 3.179 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)c1ccc(OC)cc1 ZINC000819743380 607237650 /nfs/dbraw/zinc/23/76/50/607237650.db2.gz HPVNWXOHILBAIV-UHFFFAOYSA-N -1 3 391.475 3.368 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)c1ccc(OC)cc1 ZINC000819743380 607237651 /nfs/dbraw/zinc/23/76/51/607237651.db2.gz HPVNWXOHILBAIV-UHFFFAOYSA-N -1 3 391.475 3.368 20 30 GGEDHM CCOC(=O)Nc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000825545474 607784605 /nfs/dbraw/zinc/78/46/05/607784605.db2.gz SEWDKIBLGFCZHN-GFCCVEGCSA-N -1 3 377.408 3.480 20 30 GGEDHM CCOC(=O)Nc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000825545474 607784606 /nfs/dbraw/zinc/78/46/06/607784606.db2.gz SEWDKIBLGFCZHN-GFCCVEGCSA-N -1 3 377.408 3.480 20 30 GGEDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccccc1-c1nn[n-]n1 ZINC000826497469 607882177 /nfs/dbraw/zinc/88/21/77/607882177.db2.gz INXPSUQZRGLBNU-UHFFFAOYSA-N -1 3 377.286 3.240 20 30 GGEDHM O=C1c2cccc(Br)c2OCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475872 607885060 /nfs/dbraw/zinc/88/50/60/607885060.db2.gz UHOXEFNJYLEGJL-FLIBITNWSA-N -1 3 383.205 3.288 20 30 GGEDHM O=C1c2cccc(Br)c2OCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475872 607885061 /nfs/dbraw/zinc/88/50/61/607885061.db2.gz UHOXEFNJYLEGJL-FLIBITNWSA-N -1 3 383.205 3.288 20 30 GGEDHM N#CCc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)cc1 ZINC000826381814 607974359 /nfs/dbraw/zinc/97/43/59/607974359.db2.gz ADSUPIPNCHNUCK-UHFFFAOYSA-N -1 3 397.398 3.372 20 30 GGEDHM COc1ccc(CSCCOc2ccc(C#N)cc2OC)cc1-c1nnn[n-]1 ZINC000826177225 607984196 /nfs/dbraw/zinc/98/41/96/607984196.db2.gz YDYKCONZMFYLGD-UHFFFAOYSA-N -1 3 397.460 3.068 20 30 GGEDHM COc1ccc(CSCCOc2ccc(C#N)cc2OC)cc1-c1nn[n-]n1 ZINC000826177225 607984197 /nfs/dbraw/zinc/98/41/97/607984197.db2.gz YDYKCONZMFYLGD-UHFFFAOYSA-N -1 3 397.460 3.068 20 30 GGEDHM N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)cc1-c1nnn[n-]1 ZINC000826385735 608028369 /nfs/dbraw/zinc/02/83/69/608028369.db2.gz YIQORLXSEZWOLL-UHFFFAOYSA-N -1 3 394.385 3.467 20 30 GGEDHM N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)cc1-c1nn[n-]n1 ZINC000826385735 608028370 /nfs/dbraw/zinc/02/83/70/608028370.db2.gz YIQORLXSEZWOLL-UHFFFAOYSA-N -1 3 394.385 3.467 20 30 GGEDHM O=C1c2cc(Cl)ccc2CCC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826476453 608048521 /nfs/dbraw/zinc/04/85/21/608048521.db2.gz HYEROPCTEFBGMZ-GHXNOFRVSA-N -1 3 376.807 3.380 20 30 GGEDHM O=C1c2cc(Cl)ccc2CCC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826476453 608048522 /nfs/dbraw/zinc/04/85/22/608048522.db2.gz HYEROPCTEFBGMZ-GHXNOFRVSA-N -1 3 376.807 3.380 20 30 GGEDHM C=C[C@@H](CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC000823883129 608083721 /nfs/dbraw/zinc/08/37/21/608083721.db2.gz JTHNQGHYOUCUPD-JXFKEZNVSA-N -1 3 389.459 3.127 20 30 GGEDHM C=C[C@@H](CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC000823883129 608083722 /nfs/dbraw/zinc/08/37/22/608083722.db2.gz JTHNQGHYOUCUPD-JXFKEZNVSA-N -1 3 389.459 3.127 20 30 GGEDHM N#Cc1cc(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)ccc1-c1nnn[n-]1 ZINC000826384526 608160846 /nfs/dbraw/zinc/16/08/46/608160846.db2.gz YVCIKRJWODBIKQ-UHFFFAOYSA-N -1 3 378.823 3.353 20 30 GGEDHM N#Cc1cc(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)ccc1-c1nn[n-]n1 ZINC000826384526 608160847 /nfs/dbraw/zinc/16/08/47/608160847.db2.gz YVCIKRJWODBIKQ-UHFFFAOYSA-N -1 3 378.823 3.353 20 30 GGEDHM C=CCOc1ccccc1C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000823932292 608173662 /nfs/dbraw/zinc/17/36/62/608173662.db2.gz SPDRXQVYFPEEDN-UHFFFAOYSA-N -1 3 389.419 3.053 20 30 GGEDHM C=CCOc1ccccc1C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000823932292 608173663 /nfs/dbraw/zinc/17/36/63/608173663.db2.gz SPDRXQVYFPEEDN-UHFFFAOYSA-N -1 3 389.419 3.053 20 30 GGEDHM C=C[C@@H](CC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1ccccc1 ZINC000823883020 608190751 /nfs/dbraw/zinc/19/07/51/608190751.db2.gz IRBOOLUKPGGKGS-HNNXBMFYSA-N -1 3 399.458 3.233 20 30 GGEDHM C=C[C@@H](CC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1ccccc1 ZINC000823883020 608190752 /nfs/dbraw/zinc/19/07/52/608190752.db2.gz IRBOOLUKPGGKGS-HNNXBMFYSA-N -1 3 399.458 3.233 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000823914989 608264680 /nfs/dbraw/zinc/26/46/80/608264680.db2.gz QVDDAZXLIMCROA-UHFFFAOYSA-N -1 3 380.456 3.038 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000823914989 608264681 /nfs/dbraw/zinc/26/46/81/608264681.db2.gz QVDDAZXLIMCROA-UHFFFAOYSA-N -1 3 380.456 3.038 20 30 GGEDHM COc1ccc(C=C2Cc3c(cccc3Br)C2=O)cc1-c1nnn[n-]1 ZINC000826190455 608287994 /nfs/dbraw/zinc/28/79/94/608287994.db2.gz BVKDPFNNMDHZGP-XFFZJAGNSA-N -1 3 397.232 3.460 20 30 GGEDHM COc1ccc(C=C2Cc3c(cccc3Br)C2=O)cc1-c1nn[n-]n1 ZINC000826190455 608287996 /nfs/dbraw/zinc/28/79/96/608287996.db2.gz BVKDPFNNMDHZGP-XFFZJAGNSA-N -1 3 397.232 3.460 20 30 GGEDHM C=CCOCCCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823926031 608328882 /nfs/dbraw/zinc/32/88/82/608328882.db2.gz WMYOAIJTHXCDRM-UHFFFAOYSA-N -1 3 377.448 3.133 20 30 GGEDHM C=CCOCCCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823926031 608328884 /nfs/dbraw/zinc/32/88/84/608328884.db2.gz WMYOAIJTHXCDRM-UHFFFAOYSA-N -1 3 377.448 3.133 20 30 GGEDHM CCN(C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000825361519 608346890 /nfs/dbraw/zinc/34/68/90/608346890.db2.gz DMTVANQCIQRADF-GFCCVEGCSA-N -1 3 396.838 3.212 20 30 GGEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1cccnc1 ZINC000823937350 608395634 /nfs/dbraw/zinc/39/56/34/608395634.db2.gz SYTKZKMTQORNKG-UHFFFAOYSA-N -1 3 394.439 3.138 20 30 GGEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1cccnc1 ZINC000823937350 608395636 /nfs/dbraw/zinc/39/56/36/608395636.db2.gz SYTKZKMTQORNKG-UHFFFAOYSA-N -1 3 394.439 3.138 20 30 GGEDHM N#Cc1cc(F)ccc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826384394 608472506 /nfs/dbraw/zinc/47/25/06/608472506.db2.gz TTZKXOZCMDRYQW-UHFFFAOYSA-N -1 3 389.394 3.199 20 30 GGEDHM N#Cc1cc(F)ccc1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826384394 608472507 /nfs/dbraw/zinc/47/25/07/608472507.db2.gz TTZKXOZCMDRYQW-UHFFFAOYSA-N -1 3 389.394 3.199 20 30 GGEDHM N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000826384639 608472547 /nfs/dbraw/zinc/47/25/47/608472547.db2.gz CWUOFNAPXCDKDU-UHFFFAOYSA-N -1 3 389.394 3.199 20 30 GGEDHM N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000826384639 608472548 /nfs/dbraw/zinc/47/25/48/608472548.db2.gz CWUOFNAPXCDKDU-UHFFFAOYSA-N -1 3 389.394 3.199 20 30 GGEDHM N#Cc1ccccc1C=CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826387148 608480150 /nfs/dbraw/zinc/48/01/50/608480150.db2.gz INAOXPQPMJTBPD-KTKRTIGZSA-N -1 3 382.427 3.067 20 30 GGEDHM N#Cc1ccccc1C=CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826387148 608480152 /nfs/dbraw/zinc/48/01/52/608480152.db2.gz INAOXPQPMJTBPD-KTKRTIGZSA-N -1 3 382.427 3.067 20 30 GGEDHM N#Cc1ccc(C2=CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000826385092 608480556 /nfs/dbraw/zinc/48/05/56/608480556.db2.gz WWYVWIGHZTXZQI-MDZDMXLPSA-N -1 3 382.427 3.067 20 30 GGEDHM N#Cc1ccc(C2=CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000826385092 608480557 /nfs/dbraw/zinc/48/05/57/608480557.db2.gz WWYVWIGHZTXZQI-MDZDMXLPSA-N -1 3 382.427 3.067 20 30 GGEDHM Fc1ccc(Br)c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826373781 608536724 /nfs/dbraw/zinc/53/67/24/608536724.db2.gz ZFYBPJJVSWVTDK-UHFFFAOYSA-N -1 3 396.611 3.263 20 30 GGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cccc(-c3cccnc3)c2)n1 ZINC000826350346 608537457 /nfs/dbraw/zinc/53/74/57/608537457.db2.gz RNGNNSJWOXEGQL-UHFFFAOYSA-N -1 3 376.811 3.423 20 30 GGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cccc(-c3cccnc3)c2)n1 ZINC000826350346 608537458 /nfs/dbraw/zinc/53/74/58/608537458.db2.gz RNGNNSJWOXEGQL-UHFFFAOYSA-N -1 3 376.811 3.423 20 30 GGEDHM CCOc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1OCC ZINC000825639504 608538651 /nfs/dbraw/zinc/53/86/51/608538651.db2.gz YKXBCDVWGBQXSW-UHFFFAOYSA-N -1 3 387.831 3.159 20 30 GGEDHM CCOc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1OCC ZINC000825639504 608538653 /nfs/dbraw/zinc/53/86/53/608538653.db2.gz YKXBCDVWGBQXSW-UHFFFAOYSA-N -1 3 387.831 3.159 20 30 GGEDHM N#Cc1ccc(OC2CCC(Nc3ccc(F)cc3-c3nnn[n-]3)CC2)nc1 ZINC000826385926 608558489 /nfs/dbraw/zinc/55/84/89/608558489.db2.gz HRTAHRLUKZQQNR-UHFFFAOYSA-N -1 3 379.399 3.075 20 30 GGEDHM N#Cc1ccc(OC2CCC(Nc3ccc(F)cc3-c3nn[n-]n3)CC2)nc1 ZINC000826385926 608558490 /nfs/dbraw/zinc/55/84/90/608558490.db2.gz HRTAHRLUKZQQNR-UHFFFAOYSA-N -1 3 379.399 3.075 20 30 GGEDHM C=CCN(Cc1cnc2ccc(Cl)cn12)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914945 608631887 /nfs/dbraw/zinc/63/18/87/608631887.db2.gz PUISYKCCTQMTCI-UHFFFAOYSA-N -1 3 379.855 3.356 20 30 GGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000826400778 608878255 /nfs/dbraw/zinc/87/82/55/608878255.db2.gz HZSHVLPYXCMRNA-DJWKRKHSSA-N -1 3 379.273 3.021 20 30 GGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000826400778 608878257 /nfs/dbraw/zinc/87/82/57/608878257.db2.gz HZSHVLPYXCMRNA-DJWKRKHSSA-N -1 3 379.273 3.021 20 30 GGEDHM N#CCc1ccccc1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826382876 609145498 /nfs/dbraw/zinc/14/54/98/609145498.db2.gz YTZYIEAZKALFPA-UHFFFAOYSA-N -1 3 392.488 3.444 20 30 GGEDHM N#CCc1ccccc1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826382876 609145499 /nfs/dbraw/zinc/14/54/99/609145499.db2.gz YTZYIEAZKALFPA-UHFFFAOYSA-N -1 3 392.488 3.444 20 30 GGEDHM N#CCc1ccccc1CC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000826382765 609165219 /nfs/dbraw/zinc/16/52/19/609165219.db2.gz TZPDFHGNGGCAML-UHFFFAOYSA-N -1 3 398.426 3.302 20 30 GGEDHM N#CCc1ccccc1CC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000826382765 609165220 /nfs/dbraw/zinc/16/52/20/609165220.db2.gz TZPDFHGNGGCAML-UHFFFAOYSA-N -1 3 398.426 3.302 20 30 GGEDHM N#Cc1cccc(-c2c[nH]c(CNc3ccc(-c4nnn[n-]4)c(Cl)c3)n2)c1 ZINC000826386445 609167128 /nfs/dbraw/zinc/16/71/28/609167128.db2.gz FJIGKLIIJJTEJG-UHFFFAOYSA-N -1 3 376.811 3.394 20 30 GGEDHM N#Cc1cccc(-c2c[nH]c(CNc3ccc(-c4nn[n-]n4)c(Cl)c3)n2)c1 ZINC000826386445 609167129 /nfs/dbraw/zinc/16/71/29/609167129.db2.gz FJIGKLIIJJTEJG-UHFFFAOYSA-N -1 3 376.811 3.394 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000823914698 609180015 /nfs/dbraw/zinc/18/00/15/609180015.db2.gz MACXYENGKIFWGH-UHFFFAOYSA-N -1 3 384.443 3.250 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000823914698 609180016 /nfs/dbraw/zinc/18/00/16/609180016.db2.gz MACXYENGKIFWGH-UHFFFAOYSA-N -1 3 384.443 3.250 20 30 GGEDHM N#CCc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826382401 609205384 /nfs/dbraw/zinc/20/53/84/609205384.db2.gz CWYNENJQFSVHDQ-UHFFFAOYSA-N -1 3 386.337 3.133 20 30 GGEDHM N#CCc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826382401 609205387 /nfs/dbraw/zinc/20/53/87/609205387.db2.gz CWYNENJQFSVHDQ-UHFFFAOYSA-N -1 3 386.337 3.133 20 30 GGEDHM N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826380650 609264461 /nfs/dbraw/zinc/26/44/61/609264461.db2.gz IROSDMPIMXLYDS-KBXCAEBGSA-N -1 3 389.419 3.473 20 30 GGEDHM N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826380650 609264463 /nfs/dbraw/zinc/26/44/63/609264463.db2.gz IROSDMPIMXLYDS-KBXCAEBGSA-N -1 3 389.419 3.473 20 30 GGEDHM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)c1)O[C@H](C)C2 ZINC000826178878 609269787 /nfs/dbraw/zinc/26/97/87/609269787.db2.gz PKSQSINZGWLJEC-VLWUPBBWSA-N -1 3 380.379 3.234 20 30 GGEDHM COc1cc2c(c(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)c1)O[C@H](C)C2 ZINC000826178878 609269788 /nfs/dbraw/zinc/26/97/88/609269788.db2.gz PKSQSINZGWLJEC-VLWUPBBWSA-N -1 3 380.379 3.234 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCO[C@H](CC(C)C)C1 ZINC000823909936 609282230 /nfs/dbraw/zinc/28/22/30/609282230.db2.gz SMJLOQQZIAAVCM-RBUKOAKNSA-N -1 3 398.511 3.158 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCO[C@H](CC(C)C)C1 ZINC000823909936 609282232 /nfs/dbraw/zinc/28/22/32/609282232.db2.gz SMJLOQQZIAAVCM-RBUKOAKNSA-N -1 3 398.511 3.158 20 30 GGEDHM COc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc(OC)c1C(C)C ZINC000826177871 609282585 /nfs/dbraw/zinc/28/25/85/609282585.db2.gz YXOLVYCSHWSJRZ-UHFFFAOYSA-N -1 3 392.419 3.131 20 30 GGEDHM COc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc(OC)c1C(C)C ZINC000826177871 609282587 /nfs/dbraw/zinc/28/25/87/609282587.db2.gz YXOLVYCSHWSJRZ-UHFFFAOYSA-N -1 3 392.419 3.131 20 30 GGEDHM CC(C)(C)OC(=O)c1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000824113974 609305516 /nfs/dbraw/zinc/30/55/16/609305516.db2.gz HOGOHBYEUNUFDO-UHFFFAOYSA-N -1 3 399.842 3.316 20 30 GGEDHM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(F)c1 ZINC000826498359 609306698 /nfs/dbraw/zinc/30/66/98/609306698.db2.gz REIUNWWKIKYPLH-UHFFFAOYSA-N -1 3 395.276 3.379 20 30 GGEDHM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(F)c1 ZINC000826498359 609306699 /nfs/dbraw/zinc/30/66/99/609306699.db2.gz REIUNWWKIKYPLH-UHFFFAOYSA-N -1 3 395.276 3.379 20 30 GGEDHM Cc1ccc2c(c1)CC(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826294472 609309151 /nfs/dbraw/zinc/30/91/51/609309151.db2.gz SEOADIAGCXGRSW-GZTJUZNOSA-N -1 3 382.427 3.398 20 30 GGEDHM Cc1ccc2c(c1)CC(=Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000826294472 609309152 /nfs/dbraw/zinc/30/91/52/609309152.db2.gz SEOADIAGCXGRSW-GZTJUZNOSA-N -1 3 382.427 3.398 20 30 GGEDHM Cc1ccc2c(c1)CC(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826294471 609309375 /nfs/dbraw/zinc/30/93/75/609309375.db2.gz SEOADIAGCXGRSW-BOPFTXTBSA-N -1 3 382.427 3.398 20 30 GGEDHM Cc1ccc2c(c1)CC(=Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000826294471 609309377 /nfs/dbraw/zinc/30/93/77/609309377.db2.gz SEOADIAGCXGRSW-BOPFTXTBSA-N -1 3 382.427 3.398 20 30 GGEDHM N#Cc1cccc(CNC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826386746 609311617 /nfs/dbraw/zinc/31/16/17/609311617.db2.gz RGAJTAJBFHLQMN-UHFFFAOYSA-N -1 3 396.410 3.461 20 30 GGEDHM N#Cc1cccc(CNC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826386746 609311619 /nfs/dbraw/zinc/31/16/19/609311619.db2.gz RGAJTAJBFHLQMN-UHFFFAOYSA-N -1 3 396.410 3.461 20 30 GGEDHM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000826387310 609317075 /nfs/dbraw/zinc/31/70/75/609317075.db2.gz OUNYVGRLUXMGNO-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000826387310 609317077 /nfs/dbraw/zinc/31/70/77/609317077.db2.gz OUNYVGRLUXMGNO-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM C=CCOc1ccccc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823932040 609319327 /nfs/dbraw/zinc/31/93/27/609319327.db2.gz LLJHZDGLCTWQFP-UHFFFAOYSA-N -1 3 391.410 3.368 20 30 GGEDHM Fc1cccc(C=NOCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826376875 609326275 /nfs/dbraw/zinc/32/62/75/609326275.db2.gz WOXUEICUBGYEFT-UHFFFAOYSA-N -1 3 376.189 3.319 20 30 GGEDHM Fc1cccc(C=NOCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826376875 609326277 /nfs/dbraw/zinc/32/62/77/609326277.db2.gz WOXUEICUBGYEFT-UHFFFAOYSA-N -1 3 376.189 3.319 20 30 GGEDHM Fc1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826374110 609326400 /nfs/dbraw/zinc/32/64/00/609326400.db2.gz LIURQSDYBSJNPX-UHFFFAOYSA-N -1 3 376.189 3.319 20 30 GGEDHM Fc1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826374110 609326402 /nfs/dbraw/zinc/32/64/02/609326402.db2.gz LIURQSDYBSJNPX-UHFFFAOYSA-N -1 3 376.189 3.319 20 30 GGEDHM COCCC[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826155181 609386097 /nfs/dbraw/zinc/38/60/97/609386097.db2.gz JFOHWRIBQXLULQ-DOMZBBRYSA-N -1 3 396.476 3.229 20 30 GGEDHM COCCC[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826155181 609386098 /nfs/dbraw/zinc/38/60/98/609386098.db2.gz JFOHWRIBQXLULQ-DOMZBBRYSA-N -1 3 396.476 3.229 20 30 GGEDHM N#Cc1ccc(N2CCC[C@@H](Sc3ccc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000826385556 609421456 /nfs/dbraw/zinc/42/14/56/609421456.db2.gz QXXDTROHAXREFX-QGZVFWFLSA-N -1 3 394.435 3.165 20 30 GGEDHM N#Cc1ccc(N2CCC[C@@H](Sc3ccc(-c4nn[n-]n4)cc3F)C2=O)cc1 ZINC000826385556 609421457 /nfs/dbraw/zinc/42/14/57/609421457.db2.gz QXXDTROHAXREFX-QGZVFWFLSA-N -1 3 394.435 3.165 20 30 GGEDHM N#Cc1ccc(N2CCC[C@H](Sc3cccc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000826385302 609421773 /nfs/dbraw/zinc/42/17/73/609421773.db2.gz GBABTGRMANCDJY-KRWDZBQOSA-N -1 3 376.445 3.026 20 30 GGEDHM N#Cc1ccc(N2CCC[C@H](Sc3cccc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000826385302 609421776 /nfs/dbraw/zinc/42/17/76/609421776.db2.gz GBABTGRMANCDJY-KRWDZBQOSA-N -1 3 376.445 3.026 20 30 GGEDHM N#Cc1ccccc1S[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826387514 609421956 /nfs/dbraw/zinc/42/19/56/609421956.db2.gz ZASCATLMKLKXLN-KRWDZBQOSA-N -1 3 376.445 3.026 20 30 GGEDHM N#Cc1ccccc1S[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826387514 609421957 /nfs/dbraw/zinc/42/19/57/609421957.db2.gz ZASCATLMKLKXLN-KRWDZBQOSA-N -1 3 376.445 3.026 20 30 GGEDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)c1c[nH]c(C#N)c1 ZINC000826272109 609446907 /nfs/dbraw/zinc/44/69/07/609446907.db2.gz UTDJGYDRKFJKLE-UHFFFAOYSA-N -1 3 385.387 3.420 20 30 GGEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1c[nH]c(C#N)c1 ZINC000826272109 609446909 /nfs/dbraw/zinc/44/69/09/609446909.db2.gz UTDJGYDRKFJKLE-UHFFFAOYSA-N -1 3 385.387 3.420 20 30 GGEDHM N#Cc1cc(Cl)ccc1-n1ccc(NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826383925 609447743 /nfs/dbraw/zinc/44/77/43/609447743.db2.gz XSCODPITYMTFHF-UHFFFAOYSA-N -1 3 376.811 3.190 20 30 GGEDHM N#Cc1cc(Cl)ccc1-n1ccc(NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826383925 609447746 /nfs/dbraw/zinc/44/77/46/609447746.db2.gz XSCODPITYMTFHF-UHFFFAOYSA-N -1 3 376.811 3.190 20 30 GGEDHM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824108185 609470792 /nfs/dbraw/zinc/47/07/92/609470792.db2.gz CGIXEWQHMPQHCY-ZDUSSCGKSA-N -1 3 391.863 3.365 20 30 GGEDHM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824108185 609470794 /nfs/dbraw/zinc/47/07/94/609470794.db2.gz CGIXEWQHMPQHCY-ZDUSSCGKSA-N -1 3 391.863 3.365 20 30 GGEDHM CC(C)n1ncc2cc(C=NNc3ccc(-c4nnn[n-]4)c(Cl)c3)cnc21 ZINC000824378060 609470922 /nfs/dbraw/zinc/47/09/22/609470922.db2.gz XQMRCZCYKUNIPG-UHFFFAOYSA-N -1 3 381.831 3.292 20 30 GGEDHM CC(C)n1ncc2cc(C=NNc3ccc(-c4nn[n-]n4)c(Cl)c3)cnc21 ZINC000824378060 609470925 /nfs/dbraw/zinc/47/09/25/609470925.db2.gz XQMRCZCYKUNIPG-UHFFFAOYSA-N -1 3 381.831 3.292 20 30 GGEDHM Clc1cc(NN=Cc2cnc([C@H]3CCCO3)s2)ccc1-c1nnn[n-]1 ZINC000826351351 609471505 /nfs/dbraw/zinc/47/15/05/609471505.db2.gz JHSDGTHIKOWFBQ-CYBMUJFWSA-N -1 3 375.845 3.274 20 30 GGEDHM Clc1cc(NN=Cc2cnc([C@H]3CCCO3)s2)ccc1-c1nn[n-]n1 ZINC000826351351 609471507 /nfs/dbraw/zinc/47/15/07/609471507.db2.gz JHSDGTHIKOWFBQ-CYBMUJFWSA-N -1 3 375.845 3.274 20 30 GGEDHM CC(C)N1c2ccccc2C(=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)C1=O ZINC000824296358 609473339 /nfs/dbraw/zinc/47/33/39/609473339.db2.gz GNNISPSDAMFJGI-UHFFFAOYSA-N -1 3 381.827 3.091 20 30 GGEDHM CC(C)N1c2ccccc2C(=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)C1=O ZINC000824296358 609473341 /nfs/dbraw/zinc/47/33/41/609473341.db2.gz GNNISPSDAMFJGI-UHFFFAOYSA-N -1 3 381.827 3.091 20 30 GGEDHM Clc1cc(NN=Cc2cnc(-c3ccccc3)nc2)ccc1-c1nnn[n-]1 ZINC000826351693 609473767 /nfs/dbraw/zinc/47/37/67/609473767.db2.gz WIVZIIOFFHPARG-UHFFFAOYSA-N -1 3 376.811 3.423 20 30 GGEDHM Clc1cc(NN=Cc2cnc(-c3ccccc3)nc2)ccc1-c1nn[n-]n1 ZINC000826351693 609473769 /nfs/dbraw/zinc/47/37/69/609473769.db2.gz WIVZIIOFFHPARG-UHFFFAOYSA-N -1 3 376.811 3.423 20 30 GGEDHM C=CCc1cc(CNc2cc(-c3nn[n-]n3)ccc2OCC)cc(OC)c1O ZINC000823937306 609475694 /nfs/dbraw/zinc/47/56/94/609475694.db2.gz RADBYBYVJWFOLK-UHFFFAOYSA-N -1 3 381.436 3.320 20 30 GGEDHM O=C1Nc2c(c(Cl)ccc2F)C1=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826483621 609477139 /nfs/dbraw/zinc/47/71/39/609477139.db2.gz UGCJXLRZGZGQGQ-UHFFFAOYSA-N -1 3 392.181 3.081 20 30 GGEDHM O=C1Nc2c(c(Cl)ccc2F)C1=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826483621 609477142 /nfs/dbraw/zinc/47/71/42/609477142.db2.gz UGCJXLRZGZGQGQ-UHFFFAOYSA-N -1 3 392.181 3.081 20 30 GGEDHM CC1(C#N)CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)CC1 ZINC000824777425 609561974 /nfs/dbraw/zinc/56/19/74/609561974.db2.gz IMLZXMVOGWVPDT-UHFFFAOYSA-N -1 3 385.378 3.146 20 30 GGEDHM CC1(C#N)CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)CC1 ZINC000824777425 609561977 /nfs/dbraw/zinc/56/19/77/609561977.db2.gz IMLZXMVOGWVPDT-UHFFFAOYSA-N -1 3 385.378 3.146 20 30 GGEDHM C=CCCCCCN(C)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000823894901 609586108 /nfs/dbraw/zinc/58/61/08/609586108.db2.gz ZIXHJRFMYBRYHR-UHFFFAOYSA-N -1 3 379.468 3.179 20 30 GGEDHM C=CCCCCCN(C)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000823894901 609586110 /nfs/dbraw/zinc/58/61/10/609586110.db2.gz ZIXHJRFMYBRYHR-UHFFFAOYSA-N -1 3 379.468 3.179 20 30 GGEDHM COc1cc(OC)c(OC)c2[nH]c(C(=O)Nc3n[n-]c(-c4ccccn4)n3)cc21 ZINC000053527435 1406426535 /nfs/dbraw/zinc/42/65/35/1406426535.db2.gz VATXIQIIZTVEHD-UHFFFAOYSA-N -1 3 394.391 3.010 20 30 GGEDHM C=CCOC(=O)c1sc2[n-]c(Cc3nc4ccccc4o3)nc(=O)c2c1C ZINC000054753154 1406818070 /nfs/dbraw/zinc/81/80/70/1406818070.db2.gz HCBLXYMCZPWTFW-UHFFFAOYSA-N -1 3 381.413 3.368 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000055456715 1406967866 /nfs/dbraw/zinc/96/78/66/1406967866.db2.gz UNILCCYEFOURCC-QGZVFWFLSA-N -1 3 385.851 3.089 20 30 GGEDHM Cc1cc(C)c(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1C ZINC000007674094 1398726308 /nfs/dbraw/zinc/72/63/08/1398726308.db2.gz SJFFYBYNLOKCFD-UHFFFAOYSA-N -1 3 394.471 3.456 20 30 GGEDHM Cc1ccc(C(=O)[C@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000007673986 1398726557 /nfs/dbraw/zinc/72/65/57/1398726557.db2.gz HIVIUKJEGXFPFW-INIZCTEOSA-N -1 3 380.444 3.227 20 30 GGEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)COc3ccccc3C#N)nc(=O)c2c1C ZINC000008011695 1398791552 /nfs/dbraw/zinc/79/15/52/1398791552.db2.gz SSKACNARCZJCRO-LLVKDONJSA-N -1 3 383.429 3.156 20 30 GGEDHM COc1ccc2cc(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)ccc2c1 ZINC000009942072 1398871232 /nfs/dbraw/zinc/87/12/32/1398871232.db2.gz KZJIRJGXOMLORQ-UHFFFAOYSA-N -1 3 389.455 3.274 20 30 GGEDHM N#CCCN(CCC#N)C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000010316283 1398885879 /nfs/dbraw/zinc/88/58/79/1398885879.db2.gz FVGDTGMIXAMEOH-UHFFFAOYSA-N -1 3 390.469 3.169 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)Nc1cccc(C(C)C)c1 ZINC000010682177 1398910969 /nfs/dbraw/zinc/91/09/69/1398910969.db2.gz YWUAFAIGHDWPJC-UHFFFAOYSA-N -1 3 395.459 3.101 20 30 GGEDHM CN(C)S(=O)(=O)c1ccccc1C/N=C/c1cc(Br)ccc1[O-] ZINC000011123220 1398952131 /nfs/dbraw/zinc/95/21/31/1398952131.db2.gz TYCLJFDYTJZDAA-WOJGMQOQSA-N -1 3 397.294 3.024 20 30 GGEDHM CC(=O)Nc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1Cl ZINC000014124751 1399087719 /nfs/dbraw/zinc/08/77/19/1399087719.db2.gz PPWBNIRWNQIJEQ-UHFFFAOYSA-N -1 3 386.839 3.047 20 30 GGEDHM CCOc1ccc(OCC)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000015536947 1399170040 /nfs/dbraw/zinc/17/00/40/1399170040.db2.gz NRGIGSDWGQHMRG-UHFFFAOYSA-N -1 3 383.448 3.232 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(Cl)cc1Cl ZINC000015658986 1399183024 /nfs/dbraw/zinc/18/30/24/1399183024.db2.gz OHIMUMAMZMGIHY-UHFFFAOYSA-N -1 3 392.286 3.462 20 30 GGEDHM CCOc1cc2c(cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)O[C@H](C)C2 ZINC000016303219 1399229694 /nfs/dbraw/zinc/22/96/94/1399229694.db2.gz SRJNLTVCZYCWGU-GFCCVEGCSA-N -1 3 395.459 3.157 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1ccc2c(c1)CCCC2 ZINC000017224562 1399275956 /nfs/dbraw/zinc/27/59/56/1399275956.db2.gz IOYBGCDPQJQVGF-UHFFFAOYSA-N -1 3 392.455 3.101 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1cccc2ccccc21 ZINC000017222840 1399276175 /nfs/dbraw/zinc/27/61/75/1399276175.db2.gz XPQNUJJRMWMJOO-UHFFFAOYSA-N -1 3 388.423 3.375 20 30 GGEDHM C[C@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000023417449 1399558712 /nfs/dbraw/zinc/55/87/12/1399558712.db2.gz CTUSLXNMQAFVPS-SNVBAGLBSA-N -1 3 382.800 3.349 20 30 GGEDHM CS(=O)(=O)Nc1cccc(C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000024824920 1399677113 /nfs/dbraw/zinc/67/71/13/1399677113.db2.gz NDBMMOGPGQGBLT-LICLKQGHSA-N -1 3 383.267 3.145 20 30 GGEDHM CCOc1ccccc1C(=O)NCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000026253564 1399873749 /nfs/dbraw/zinc/87/37/49/1399873749.db2.gz ZLROYUYJZOBEDY-UHFFFAOYSA-N -1 3 385.346 3.020 20 30 GGEDHM CCOc1ccccc1C(=O)NCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000026253564 1399873750 /nfs/dbraw/zinc/87/37/50/1399873750.db2.gz ZLROYUYJZOBEDY-UHFFFAOYSA-N -1 3 385.346 3.020 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1F ZINC000028999055 1400223327 /nfs/dbraw/zinc/22/33/27/1400223327.db2.gz BIYJYNAAHQGKLR-UHFFFAOYSA-N -1 3 386.807 3.335 20 30 GGEDHM CC(=O)Nc1c(C)ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000055888939 1407119598 /nfs/dbraw/zinc/11/95/98/1407119598.db2.gz ZPMBLAONDSEYED-UHFFFAOYSA-N -1 3 380.448 3.010 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C2CCCC2)ccc1F ZINC000056034998 1407177316 /nfs/dbraw/zinc/17/73/16/1407177316.db2.gz OSUGAIMEZWJTEJ-KRWDZBQOSA-N -1 3 380.485 3.085 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000056149012 1407227590 /nfs/dbraw/zinc/22/75/90/1407227590.db2.gz VGVGXXKQKZKHNM-LJQANCHMSA-N -1 3 393.487 3.004 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OCC=C)c2)ccc1F ZINC000056337601 1407303217 /nfs/dbraw/zinc/30/32/17/1407303217.db2.gz GUMMJUYAENZXPK-UHFFFAOYSA-N -1 3 390.436 3.107 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000043117115 1403712265 /nfs/dbraw/zinc/71/22/65/1403712265.db2.gz MWQOQHGYVFATOL-UHFFFAOYSA-N -1 3 391.393 3.473 20 30 GGEDHM Cc1cc(C)n(-c2ccccc2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000043765304 1403812655 /nfs/dbraw/zinc/81/26/55/1403812655.db2.gz COXYAIHIQOYCEW-UHFFFAOYSA-N -1 3 389.459 3.237 20 30 GGEDHM CCNC(=O)COc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1OC ZINC000044010671 1403858694 /nfs/dbraw/zinc/85/86/94/1403858694.db2.gz XCMAIKWDNFIODZ-SRZZPIQSSA-N -1 3 376.840 3.188 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1F ZINC000045270983 1404090080 /nfs/dbraw/zinc/09/00/80/1404090080.db2.gz HULAPLPZUJBPHJ-UHFFFAOYSA-N -1 3 386.807 3.335 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2OCCC)ccc1F ZINC000045307893 1404095488 /nfs/dbraw/zinc/09/54/88/1404095488.db2.gz PVXBSZHOLHEGND-UHFFFAOYSA-N -1 3 392.452 3.331 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)ccc1F ZINC000045312757 1404096873 /nfs/dbraw/zinc/09/68/73/1404096873.db2.gz JWRQXAHMSQHNEU-YOEHRIQHSA-N -1 3 380.485 3.085 20 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ZINC000046725140 1404568764 /nfs/dbraw/zinc/56/87/64/1404568764.db2.gz UUVCWNMSDADTAV-UHFFFAOYSA-N -1 3 395.850 3.274 20 30 GGEDHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000046881180 1404622286 /nfs/dbraw/zinc/62/22/86/1404622286.db2.gz HMVPZUCWGDIPTO-UHFFFAOYSA-N -1 3 394.475 3.338 20 30 GGEDHM CCN(C[C@H](C)C#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000047534198 1404860088 /nfs/dbraw/zinc/86/00/88/1404860088.db2.gz ZLIMIYOUWFACJD-CQSZACIVSA-N -1 3 389.452 3.248 20 30 GGEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049392284 1405375257 /nfs/dbraw/zinc/37/52/57/1405375257.db2.gz WLKQYSHBNCVDMG-QGZVFWFLSA-N -1 3 388.431 3.475 20 30 GGEDHM N#CC(=C([O-])c1ccc(-n2cccc2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393265 1405376092 /nfs/dbraw/zinc/37/60/92/1405376092.db2.gz GPGSKLKEXWMIQC-GOSISDBHSA-N -1 3 395.426 3.478 20 30 GGEDHM C=CCOc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049395595 1405377678 /nfs/dbraw/zinc/37/76/78/1405377678.db2.gz 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CC(C)OCCS(=O)(=O)[N-]c1ccccc1COc1ccc(CC#N)cc1 ZINC000176465325 1428328654 /nfs/dbraw/zinc/32/86/54/1428328654.db2.gz YALOJJAFGNAKGR-UHFFFAOYSA-N -1 3 388.489 3.498 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000066397124 1408830497 /nfs/dbraw/zinc/83/04/97/1408830497.db2.gz WZKIRWJLSMPUHI-FQEVSTJZSA-N -1 3 390.487 3.475 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000066418521 1408834976 /nfs/dbraw/zinc/83/49/76/1408834976.db2.gz XVQXYEAIOCGEMI-UHFFFAOYSA-N -1 3 395.850 3.274 20 30 GGEDHM CC(=O)N[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1c(F)cccc1F ZINC000067149833 1409022723 /nfs/dbraw/zinc/02/27/23/1409022723.db2.gz DXYQHSOLCLEDMN-LBPRGKRZSA-N -1 3 375.335 3.198 20 30 GGEDHM C=CCCO[C@H](C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176628377 1428383993 /nfs/dbraw/zinc/38/39/93/1428383993.db2.gz SDKXVNUHYROAPE-CYBMUJFWSA-N -1 3 380.872 3.204 20 30 GGEDHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000068173840 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386.807 3.335 20 30 GGEDHM Cc1nc(C)c(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(=O)[n-]1 ZINC000102760761 1410731989 /nfs/dbraw/zinc/73/19/89/1410731989.db2.gz PYSRGVKLDCOFDS-UHFFFAOYSA-N -1 3 388.427 3.019 20 30 GGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C#N)c2)ccc1F ZINC000102855703 1410801445 /nfs/dbraw/zinc/80/14/45/1410801445.db2.gz WOTQCNUHCMUDFC-UHFFFAOYSA-N -1 3 393.415 3.166 20 30 GGEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000102858502 1410802030 /nfs/dbraw/zinc/80/20/30/1410802030.db2.gz HSTJMNZFRDSPRB-UHFFFAOYSA-N -1 3 375.428 3.127 20 30 GGEDHM N#Cc1cc(F)ccc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000102971351 1410815046 /nfs/dbraw/zinc/81/50/46/1410815046.db2.gz PRUJWVIUNHZAEX-UHFFFAOYSA-N -1 3 377.404 3.412 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(CC2CCCCC2)s1 ZINC000103421027 1410855600 /nfs/dbraw/zinc/85/56/00/1410855600.db2.gz VPPQJOUYLFYODI-UHFFFAOYSA-N -1 3 399.520 3.409 20 30 GGEDHM CC[C@@H](/N=C/c1cc(Br)ccc1[O-])c1cccc(S(N)(=O)=O)c1 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HEMYHZLBQCNPFX-MRXNPFEDSA-N -1 3 378.428 3.112 20 30 GGEDHM C#CCOc1ccccc1[C@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000107059333 1411338384 /nfs/dbraw/zinc/33/83/84/1411338384.db2.gz HEMYHZLBQCNPFX-INIZCTEOSA-N -1 3 378.428 3.112 20 30 GGEDHM CCc1ccc(-n2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c3c2CCC3)cc1 ZINC000107877670 1411426123 /nfs/dbraw/zinc/42/61/23/1411426123.db2.gz ZUCNTVSVPPLASI-GOSISDBHSA-N -1 3 399.454 3.280 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(OC)c(OC)c(OC)c1 ZINC000108068916 1411436147 /nfs/dbraw/zinc/43/61/47/1411436147.db2.gz GVXYSXFIANRAFD-AWEZNQCLSA-N -1 3 398.415 3.072 20 30 GGEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000108237623 1411457081 /nfs/dbraw/zinc/45/70/81/1411457081.db2.gz XKUHHBYIGOYCTF-NSHDSACASA-N -1 3 382.445 3.339 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1NCC(F)(F)F ZINC000109018527 1411662825 /nfs/dbraw/zinc/66/28/25/1411662825.db2.gz RENFEGFOAVPAIO-UHFFFAOYSA-N -1 3 392.381 3.409 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(OC)cc3)no2)ccc1F ZINC000109530736 1411780400 /nfs/dbraw/zinc/78/04/00/1411780400.db2.gz JBWRTVMCODEQOF-UHFFFAOYSA-N -1 3 389.408 3.016 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1ccccc1C(C)C ZINC000110508919 1411853852 /nfs/dbraw/zinc/85/38/52/1411853852.db2.gz AXNVOIKXWSOJGV-UHFFFAOYSA-N -1 3 381.476 3.115 20 30 GGEDHM Cc1nc2c(s1)[C@H](N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2 ZINC000110529884 1411856016 /nfs/dbraw/zinc/85/60/16/1411856016.db2.gz PBROZGVRWBCATL-QGZVFWFLSA-N -1 3 384.505 3.097 20 30 GGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(Cl)nc(N3CCCC3)c2)c1 ZINC000112758900 1412213257 /nfs/dbraw/zinc/21/32/57/1412213257.db2.gz MKEWOPXTOPDWBA-MRXNPFEDSA-N -1 3 398.850 3.305 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Cl)nc(N2CCCC2)c1 ZINC000112759003 1412213276 /nfs/dbraw/zinc/21/32/76/1412213276.db2.gz VDJQCTGAUWCDRH-AWEZNQCLSA-N -1 3 398.850 3.305 20 30 GGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc([C@H](C)N2CCOCC2)cc1 ZINC000114850188 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VFHFWSYCLDIZJI-UHFFFAOYSA-N -1 3 375.428 3.396 20 30 GGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000119534070 1413478321 /nfs/dbraw/zinc/47/83/21/1413478321.db2.gz QHCCPTGZCBFTEJ-INIZCTEOSA-N -1 3 398.406 3.184 20 30 GGEDHM N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000119653561 1413516743 /nfs/dbraw/zinc/51/67/43/1413516743.db2.gz RMVQZTKODIIWJF-UHFFFAOYSA-N -1 3 384.823 3.487 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2Cl)c1 ZINC000120461844 1413823314 /nfs/dbraw/zinc/82/33/14/1413823314.db2.gz LSDAPDZMGZQHSK-AWEZNQCLSA-N -1 3 394.818 3.495 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2Cl)c1 ZINC000120461987 1413823692 /nfs/dbraw/zinc/82/36/92/1413823692.db2.gz LSDAPDZMGZQHSK-CQSZACIVSA-N -1 3 394.818 3.495 20 30 GGEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccn1 ZINC000121178002 1414034490 /nfs/dbraw/zinc/03/44/90/1414034490.db2.gz RFLQNIPLRXAQBA-FQEVSTJZSA-N -1 3 379.441 3.030 20 30 GGEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccccn1 ZINC000121238434 1414054652 /nfs/dbraw/zinc/05/46/52/1414054652.db2.gz GZVDRQSEUSVRTL-OAQYLSRUSA-N -1 3 393.468 3.338 20 30 GGEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccccn1 ZINC000121238278 1414054708 /nfs/dbraw/zinc/05/47/08/1414054708.db2.gz GZVDRQSEUSVRTL-NRFANRHFSA-N -1 3 393.468 3.338 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000121385037 1414103391 /nfs/dbraw/zinc/10/33/91/1414103391.db2.gz AEZPSMRWJKLVCK-WIYYLYMNSA-N -1 3 377.488 3.324 20 30 GGEDHM CCCC(C#N)(CCC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000121666446 1414217095 /nfs/dbraw/zinc/21/70/95/1414217095.db2.gz DBWFACHEOSXTSP-UHFFFAOYSA-N -1 3 383.489 3.105 20 30 GGEDHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000121757147 1414248258 /nfs/dbraw/zinc/24/82/58/1414248258.db2.gz XHBAGLACTUIVEU-LLVKDONJSA-N -1 3 395.706 3.328 20 30 GGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000121859975 1414281613 /nfs/dbraw/zinc/28/16/13/1414281613.db2.gz ZEJXGEBKUBIOID-CQSZACIVSA-N -1 3 399.332 3.247 20 30 GGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2C#N)ccc1F ZINC000177590597 1428805506 /nfs/dbraw/zinc/80/55/06/1428805506.db2.gz JRXCFDDIVNPVOO-UHFFFAOYSA-N -1 3 393.415 3.166 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(C(C)(C)C)cs2)ccc1F ZINC000122343191 1414428926 /nfs/dbraw/zinc/42/89/26/1414428926.db2.gz MVJBJMWFZCFEGH-UHFFFAOYSA-N -1 3 397.497 3.296 20 30 GGEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000122438458 1414459634 /nfs/dbraw/zinc/45/96/34/1414459634.db2.gz DRZSYGYHPKGECQ-QGZVFWFLSA-N -1 3 389.452 3.295 20 30 GGEDHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(F)c1 ZINC000122557643 1414499812 /nfs/dbraw/zinc/49/98/12/1414499812.db2.gz KCZKREKTNRFDRK-UHFFFAOYSA-N -1 3 376.409 3.453 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000122817190 1414572451 /nfs/dbraw/zinc/57/24/51/1414572451.db2.gz TVDQGZKDVOPDDO-LEWJYISDSA-N -1 3 393.487 3.050 20 30 GGEDHM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)n1 ZINC000123689366 1414810188 /nfs/dbraw/zinc/81/01/88/1414810188.db2.gz MNDNEXCBJQHZQC-KRWDZBQOSA-N -1 3 388.427 3.459 20 30 GGEDHM N#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(OCc2ccccc2)cc1 ZINC000123831379 1414831035 /nfs/dbraw/zinc/83/10/35/1414831035.db2.gz WCFIXTLUAICPAB-SFHVURJKSA-N -1 3 386.398 3.497 20 30 GGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cn(Cc2cccc(F)c2)nn1 ZINC000177718141 1428841730 /nfs/dbraw/zinc/84/17/30/1428841730.db2.gz MZAHCURVKXIIMV-INIZCTEOSA-N -1 3 397.797 3.080 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1CC(=O)c1ccccc1 ZINC000124164686 1414898058 /nfs/dbraw/zinc/89/80/58/1414898058.db2.gz MQJRKCVTTVTUPH-SFHVURJKSA-N -1 3 391.471 3.060 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000124588721 1415000261 /nfs/dbraw/zinc/00/02/61/1415000261.db2.gz LNVDDCNMNLCPGP-GFCCVEGCSA-N -1 3 375.831 3.466 20 30 GGEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCN3S(C)(=O)=O)n1 ZINC000177771593 1428854704 /nfs/dbraw/zinc/85/47/04/1428854704.db2.gz VNYZYJUDCSUVHN-CQSZACIVSA-N -1 3 389.502 3.079 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc(Cl)c1 ZINC000125534287 1415221836 /nfs/dbraw/zinc/22/18/36/1415221836.db2.gz OAKXGQNHVKMIFG-INIZCTEOSA-N -1 3 379.807 3.190 20 30 GGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nnn(-c3ccc(C)cc3)c2C)cc1 ZINC000125543999 1415223263 /nfs/dbraw/zinc/22/32/63/1415223263.db2.gz WVRDXKTWIHFSLY-LJQANCHMSA-N -1 3 387.443 3.408 20 30 GGEDHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)n1 ZINC000178012650 1428934205 /nfs/dbraw/zinc/93/42/05/1428934205.db2.gz JYZBXFNLBKSXPO-UHFFFAOYSA-N -1 3 381.827 3.017 20 30 GGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000127806430 1415854114 /nfs/dbraw/zinc/85/41/14/1415854114.db2.gz WGFRNLPBEUPXTP-KRWDZBQOSA-N -1 3 389.371 3.050 20 30 GGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000127806678 1415854177 /nfs/dbraw/zinc/85/41/77/1415854177.db2.gz WGFRNLPBEUPXTP-QGZVFWFLSA-N -1 3 389.371 3.050 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cncc(Br)c1 ZINC000128907420 1416098866 /nfs/dbraw/zinc/09/88/66/1416098866.db2.gz YOZQOFJTPISDRP-CYBMUJFWSA-N -1 3 388.221 3.204 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cncc(Br)c1 ZINC000128907258 1416098981 /nfs/dbraw/zinc/09/89/81/1416098981.db2.gz YOZQOFJTPISDRP-ZDUSSCGKSA-N -1 3 388.221 3.204 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)nc1 ZINC000128979150 1416118834 /nfs/dbraw/zinc/11/88/34/1416118834.db2.gz TUNBQFQHBHVMOI-GFCCVEGCSA-N -1 3 377.322 3.460 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1c(Cl)nc2ccccn21 ZINC000128992722 1416121495 /nfs/dbraw/zinc/12/14/95/1416121495.db2.gz UEEGIHKQSKPTAU-GFCCVEGCSA-N -1 3 382.807 3.348 20 30 GGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(-c2ccc(F)cc2)n1 ZINC000129035662 1416130328 /nfs/dbraw/zinc/13/03/28/1416130328.db2.gz DWJFXQKSYFUERI-MRXNPFEDSA-N -1 3 392.390 3.371 20 30 GGEDHM COc1cccc2c1CCCCN2C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000129132038 1416152978 /nfs/dbraw/zinc/15/29/78/1416152978.db2.gz IZDDJKIQBPPLGM-UHFFFAOYSA-N -1 3 379.460 3.174 20 30 GGEDHM COc1ccccc1N1CC[C@H](/N=C/c2cc(Br)ccc2[O-])C1=O ZINC000129393730 1416202461 /nfs/dbraw/zinc/20/24/61/1416202461.db2.gz HNRMRXIIZMICNK-HXJASHHUSA-N -1 3 389.249 3.388 20 30 GGEDHM N#Cc1ccc(OCc2ccc(C(=O)[N-]c3nc4ccc(F)cn4n3)o2)cc1 ZINC000129770999 1416261428 /nfs/dbraw/zinc/26/14/28/1416261428.db2.gz IBGHNEGIMARKEE-UHFFFAOYSA-N -1 3 377.335 3.164 20 30 GGEDHM N#Cc1ccccc1OCc1ccc(C(=O)[N-]c2nc3ccc(F)cn3n2)o1 ZINC000129796126 1416265273 /nfs/dbraw/zinc/26/52/73/1416265273.db2.gz JBBWRXZJLVNHAU-UHFFFAOYSA-N -1 3 377.335 3.164 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2C)c1C ZINC000129979457 1416295112 /nfs/dbraw/zinc/29/51/12/1416295112.db2.gz SAVPUQVYIHBFPC-INIZCTEOSA-N -1 3 388.427 3.459 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000130003784 1416300669 /nfs/dbraw/zinc/30/06/69/1416300669.db2.gz JEJGPOSNVSYKEZ-CQSZACIVSA-N -1 3 380.448 3.485 20 30 GGEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000130124371 1416322629 /nfs/dbraw/zinc/32/26/29/1416322629.db2.gz JNFBQDPOZKHMLD-NSHDSACASA-N -1 3 391.742 3.357 20 30 GGEDHM COc1cc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc(OC)c1[O-] ZINC000130693309 1416426134 /nfs/dbraw/zinc/42/61/34/1416426134.db2.gz QBEJAWDUFOIEDM-UHFFFAOYSA-N -1 3 379.334 3.210 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000132146449 1416707428 /nfs/dbraw/zinc/70/74/28/1416707428.db2.gz DNFMMGJNMHHMDX-UHFFFAOYSA-N -1 3 389.459 3.199 20 30 GGEDHM CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000132249992 1416723881 /nfs/dbraw/zinc/72/38/81/1416723881.db2.gz LMIVJJRRKQOKPR-RTBURBONSA-N -1 3 387.524 3.238 20 30 GGEDHM CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000132249788 1416724079 /nfs/dbraw/zinc/72/40/79/1416724079.db2.gz LMIVJJRRKQOKPR-OALUTQOASA-N -1 3 387.524 3.238 20 30 GGEDHM O=c1[n-]c(SCC#Cc2ccc(F)cc2)nc2c1cnn2-c1ccccc1 ZINC000135231281 1417192376 /nfs/dbraw/zinc/19/23/76/1417192376.db2.gz IINBAQSYIRBDMM-UHFFFAOYSA-N -1 3 376.416 3.392 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000135264836 1417199195 /nfs/dbraw/zinc/19/91/95/1417199195.db2.gz PSSBUKDAVYHZCU-GUYCJALGSA-N -1 3 381.451 3.340 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000135264879 1417199205 /nfs/dbraw/zinc/19/92/05/1417199205.db2.gz PSSBUKDAVYHZCU-DYVFJYSZSA-N -1 3 381.451 3.340 20 30 GGEDHM CC(C)(C#N)c1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000136591080 1417330200 /nfs/dbraw/zinc/33/02/00/1417330200.db2.gz REDOXAXXCBRECM-UHFFFAOYSA-N -1 3 392.459 3.183 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cnn1-c1ccccn1 ZINC000136655274 1417336181 /nfs/dbraw/zinc/33/61/81/1417336181.db2.gz UQFBOWJACMFTNQ-ZDUSSCGKSA-N -1 3 397.797 3.329 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1ccc(Cl)cc1 ZINC000138929017 1417442686 /nfs/dbraw/zinc/44/26/86/1417442686.db2.gz NBGHJCXMESFTOT-OAHLLOKOSA-N -1 3 379.807 3.190 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1ccc(Cl)cc1 ZINC000138929086 1417442893 /nfs/dbraw/zinc/44/28/93/1417442893.db2.gz NBGHJCXMESFTOT-HNNXBMFYSA-N -1 3 379.807 3.190 20 30 GGEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(C#N)CC3)c2)cc1 ZINC000147251284 1417742996 /nfs/dbraw/zinc/74/29/96/1417742996.db2.gz UOTFSNVZVRXPKT-UHFFFAOYSA-N -1 3 397.500 3.480 20 30 GGEDHM Cc1cccc(NC2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)c1 ZINC000151817304 1418093986 /nfs/dbraw/zinc/09/39/86/1418093986.db2.gz XICNWIDTICCJCN-UHFFFAOYSA-N -1 3 392.503 3.208 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nc(C(F)(F)F)cs1 ZINC000179165785 1429283248 /nfs/dbraw/zinc/28/32/48/1429283248.db2.gz KSQQFRWZYNVDMX-UHFFFAOYSA-N -1 3 385.367 3.015 20 30 GGEDHM N#Cc1ccc(C2=CCN(CCCOc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384642 1429335534 /nfs/dbraw/zinc/33/55/34/1429335534.db2.gz CZUUEYMIZVCNBG-UHFFFAOYSA-N -1 3 386.459 3.297 20 30 GGEDHM N#Cc1ccc(C2=CCN(CCCOc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384642 1429335538 /nfs/dbraw/zinc/33/55/38/1429335538.db2.gz CZUUEYMIZVCNBG-UHFFFAOYSA-N -1 3 386.459 3.297 20 30 GGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cccc(OCC(F)F)n1 ZINC000179341585 1429335820 /nfs/dbraw/zinc/33/58/20/1429335820.db2.gz KOFHXVTUMXOWKD-GFCCVEGCSA-N -1 3 379.750 3.340 20 30 GGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(-c3ccc(F)cc3C)nn2)cc1 ZINC000179488311 1429391050 /nfs/dbraw/zinc/39/10/50/1429391050.db2.gz OSCQOJNJMHXEMV-QGZVFWFLSA-N -1 3 391.406 3.238 20 30 GGEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000179504205 1429399868 /nfs/dbraw/zinc/39/98/68/1429399868.db2.gz LWVSWDTXVASCJN-FKIZINRSSA-N -1 3 382.420 3.143 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1C(F)(F)F ZINC000179624431 1429475687 /nfs/dbraw/zinc/47/56/87/1429475687.db2.gz NDSYRHITZMZDJO-UHFFFAOYSA-N -1 3 389.286 3.425 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000152593856 1422155472 /nfs/dbraw/zinc/15/54/72/1422155472.db2.gz WUHYYCDXALNHBG-VMPITWQZSA-N -1 3 395.444 3.050 20 30 GGEDHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1C#N ZINC000152637287 1422182691 /nfs/dbraw/zinc/18/26/91/1422182691.db2.gz FLFIKOAMVIGLSP-UHFFFAOYSA-N -1 3 384.413 3.253 20 30 GGEDHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000153976324 1422820011 /nfs/dbraw/zinc/82/00/11/1422820011.db2.gz UBGNEWLEKDAEJD-UHFFFAOYSA-N -1 3 387.530 3.216 20 30 GGEDHM C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000154543451 1422917378 /nfs/dbraw/zinc/91/73/78/1422917378.db2.gz DAFNYEHHZLRTEY-CYBMUJFWSA-N -1 3 391.880 3.238 20 30 GGEDHM Cc1coc(-c2cccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2)n1 ZINC000154705022 1423007408 /nfs/dbraw/zinc/00/74/08/1423007408.db2.gz AJBFBGFFVPMMSV-UHFFFAOYSA-N -1 3 376.416 3.398 20 30 GGEDHM C[C@@H]([N-]C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(F)c1F ZINC000154856772 1423056976 /nfs/dbraw/zinc/05/69/76/1423056976.db2.gz ZLDKJPZZVRIJOY-RXMQYKEDSA-N -1 3 394.246 3.476 20 30 GGEDHM CCOC(=O)c1sc2[n-]c([C@H](C)N(CC)C[C@@H](C)C#N)nc(=O)c2c1C ZINC000155231208 1423261358 /nfs/dbraw/zinc/26/13/58/1423261358.db2.gz JPYHZHOPWZUQGD-JQWIXIFHSA-N -1 3 376.482 3.012 20 30 GGEDHM N#C[C@H]1CC[C@H](OC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000179928524 1429646291 /nfs/dbraw/zinc/64/62/91/1429646291.db2.gz QMKFVJOKDKVQQI-ZFWWWQNUSA-N -1 3 388.420 3.476 20 30 GGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccc(OCC(F)F)nc1 ZINC000156090980 1423667797 /nfs/dbraw/zinc/66/77/97/1423667797.db2.gz JUSOUTYSJZHRLG-NSHDSACASA-N -1 3 397.740 3.479 20 30 GGEDHM N#Cc1cccc(OC2CCN(Cc3cn4ccccc4c3-c3nn[n-]n3)CC2)c1 ZINC000737730694 1423758726 /nfs/dbraw/zinc/75/87/26/1423758726.db2.gz PVWLXOMDPJECAL-UHFFFAOYSA-N -1 3 399.458 3.034 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(OC(F)F)cc1 ZINC000156355291 1423795424 /nfs/dbraw/zinc/79/54/24/1423795424.db2.gz QIGZPIFFBYCOTP-SNVBAGLBSA-N -1 3 397.359 3.107 20 30 GGEDHM C#CCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000156408505 1423806945 /nfs/dbraw/zinc/80/69/45/1423806945.db2.gz ATOCSQFZBIVHKY-UHFFFAOYSA-N -1 3 388.464 3.468 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc(OC(F)F)c1 ZINC000156506843 1423820250 /nfs/dbraw/zinc/82/02/50/1423820250.db2.gz KQZHYVGVUGXLSI-SNVBAGLBSA-N -1 3 397.359 3.107 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc(OC(F)F)c1 ZINC000156506750 1423820322 /nfs/dbraw/zinc/82/03/22/1423820322.db2.gz KQZHYVGVUGXLSI-JTQLQIEISA-N -1 3 397.359 3.107 20 30 GGEDHM CC(C)Oc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000156553241 1423827433 /nfs/dbraw/zinc/82/74/33/1423827433.db2.gz ANQOFXHCWRSEDO-CYBMUJFWSA-N -1 3 389.433 3.293 20 30 GGEDHM CCO[C@H]1C[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000156748858 1423858863 /nfs/dbraw/zinc/85/88/63/1423858863.db2.gz HZVGRGORSJKJHU-PMACEKPBSA-N -1 3 399.535 3.382 20 30 GGEDHM CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000820843401 1429698882 /nfs/dbraw/zinc/69/88/82/1429698882.db2.gz XXGIDXJNVGRZHR-KSSFIOAISA-N -1 3 392.463 3.407 20 30 GGEDHM CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000820843401 1429698885 /nfs/dbraw/zinc/69/88/85/1429698885.db2.gz XXGIDXJNVGRZHR-KSSFIOAISA-N -1 3 392.463 3.407 20 30 GGEDHM COc1ccccc1-c1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000158625487 1424304949 /nfs/dbraw/zinc/30/49/49/1424304949.db2.gz QQWFSFYKACXTFO-OAHLLOKOSA-N -1 3 385.427 3.472 20 30 GGEDHM COC(=O)c1cc(C)nc2nc(SCC#Cc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000159662164 1424522212 /nfs/dbraw/zinc/52/22/12/1424522212.db2.gz VCQRZVYZQVTVJN-UHFFFAOYSA-N -1 3 399.859 3.210 20 30 GGEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160265786 1424591555 /nfs/dbraw/zinc/59/15/55/1424591555.db2.gz HMSREXFJUWWWEM-UHFFFAOYSA-N -1 3 381.392 3.051 20 30 GGEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCCCC1 ZINC000161154017 1424662821 /nfs/dbraw/zinc/66/28/21/1424662821.db2.gz QJVRJWYIQUDODP-CYBMUJFWSA-N -1 3 391.371 3.364 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000161237049 1424668909 /nfs/dbraw/zinc/66/89/09/1424668909.db2.gz UKGNHWIUIKIZRF-OAHLLOKOSA-N -1 3 399.878 3.129 20 30 GGEDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)c(F)c2)cc1 ZINC000161966271 1424804128 /nfs/dbraw/zinc/80/41/28/1424804128.db2.gz GLZOMBLFCGYVJE-CQSZACIVSA-N -1 3 387.798 3.142 20 30 GGEDHM CC[C@H](CSc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000162177603 1424823272 /nfs/dbraw/zinc/82/32/72/1424823272.db2.gz MIDMRYQNZTXBRJ-MRXNPFEDSA-N -1 3 383.517 3.483 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nccc3sccc32)ccc1F ZINC000162718202 1424884553 /nfs/dbraw/zinc/88/45/53/1424884553.db2.gz XLRZSFSUGZOFLA-UHFFFAOYSA-N -1 3 391.449 3.152 20 30 GGEDHM C=CCCOCC(=O)NC(C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823899548 1425141441 /nfs/dbraw/zinc/14/14/41/1425141441.db2.gz YAQDVJLWHFAZSK-HNNXBMFYSA-N -1 3 377.448 3.304 20 30 GGEDHM N#CCCCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000171449425 1425683909 /nfs/dbraw/zinc/68/39/09/1425683909.db2.gz UGWBZDXUSLPHHN-UHFFFAOYSA-N -1 3 378.860 3.100 20 30 GGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000172123968 1425904635 /nfs/dbraw/zinc/90/46/35/1425904635.db2.gz XWURMJKVPBSUCQ-QGZVFWFLSA-N -1 3 382.445 3.395 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000172836750 1426211837 /nfs/dbraw/zinc/21/18/37/1426211837.db2.gz NBYNCFGBBOXRTK-LBPRGKRZSA-N -1 3 387.867 3.033 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000172867985 1426230087 /nfs/dbraw/zinc/23/00/87/1426230087.db2.gz JLHOZBXALPTBPQ-GFCCVEGCSA-N -1 3 387.867 3.033 20 30 GGEDHM C#CCCCNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000172922666 1426265060 /nfs/dbraw/zinc/26/50/60/1426265060.db2.gz XKJWWGFCRKKRTJ-UHFFFAOYSA-N -1 3 391.320 3.071 20 30 GGEDHM CCCNc1ccc(C#N)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000173041064 1426319820 /nfs/dbraw/zinc/31/98/20/1426319820.db2.gz HTXBUKWDFPVKHQ-UHFFFAOYSA-N -1 3 377.448 3.128 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000173606755 1426781998 /nfs/dbraw/zinc/78/19/98/1426781998.db2.gz MFSTXNIQZZKNFH-LLVKDONJSA-N -1 3 385.851 3.264 20 30 GGEDHM C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824554498 1427086787 /nfs/dbraw/zinc/08/67/87/1427086787.db2.gz PTAPTXUEHJMNTK-CYBMUJFWSA-N -1 3 387.365 3.468 20 30 GGEDHM C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824554498 1427086790 /nfs/dbraw/zinc/08/67/90/1427086790.db2.gz PTAPTXUEHJMNTK-CYBMUJFWSA-N -1 3 387.365 3.468 20 30 GGEDHM CCO[C@H]1C[C@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000174593206 1427246341 /nfs/dbraw/zinc/24/63/41/1427246341.db2.gz NBSZNEOATZFIKE-OALUTQOASA-N -1 3 386.492 3.467 20 30 GGEDHM CCO[C@H]1C[C@@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000174593231 1427246523 /nfs/dbraw/zinc/24/65/23/1427246523.db2.gz NBSZNEOATZFIKE-RBUKOAKNSA-N -1 3 386.492 3.467 20 30 GGEDHM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1F ZINC000174771466 1427358836 /nfs/dbraw/zinc/35/88/36/1427358836.db2.gz PCTJCJBJCNZLDE-OAHLLOKOSA-N -1 3 376.409 3.410 20 30 GGEDHM Cc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000175201291 1427596603 /nfs/dbraw/zinc/59/66/03/1427596603.db2.gz PWYJJYZCMDDVGA-UHFFFAOYSA-N -1 3 398.419 3.387 20 30 GGEDHM CCO[C@H]1C[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(CC)CC ZINC000175241731 1427622549 /nfs/dbraw/zinc/62/25/49/1427622549.db2.gz OMXUVKHEPCKZBJ-MOPGFXCFSA-N -1 3 387.524 3.238 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000175262777 1427632351 /nfs/dbraw/zinc/63/23/51/1427632351.db2.gz CNPLOJCDQRSFPT-UHFFFAOYSA-N -1 3 388.349 3.325 20 30 GGEDHM COc1cc(NC(=O)C/N=C/c2cc(Br)ccc2[O-])cc(OC)c1 ZINC000175896294 1427957567 /nfs/dbraw/zinc/95/75/67/1427957567.db2.gz JEEKMPCRTWNMLX-DJKKODMXSA-N -1 3 393.237 3.230 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735425676 1429799951 /nfs/dbraw/zinc/79/99/51/1429799951.db2.gz DKRDLJXHKPRABO-LSDHHAIUSA-N -1 3 396.520 3.182 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735425676 1429799953 /nfs/dbraw/zinc/79/99/53/1429799953.db2.gz DKRDLJXHKPRABO-LSDHHAIUSA-N -1 3 396.520 3.182 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2cccs2)ns1 ZINC000182144240 1430419723 /nfs/dbraw/zinc/41/97/23/1430419723.db2.gz RWDLVVVJNXNXSY-UHFFFAOYSA-N -1 3 385.474 3.015 20 30 GGEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nn1-c1ccc(C)cc1 ZINC000182913896 1430569814 /nfs/dbraw/zinc/56/98/14/1430569814.db2.gz YCNKBZBMEBMPJP-UHFFFAOYSA-N -1 3 389.459 3.237 20 30 GGEDHM C=C(C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000183061471 1430602427 /nfs/dbraw/zinc/60/24/27/1430602427.db2.gz DAMIVJMKAZDUQP-UHFFFAOYSA-N -1 3 388.489 3.453 20 30 GGEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000183275562 1430667745 /nfs/dbraw/zinc/66/77/45/1430667745.db2.gz JTHYSPCFAORZIH-UHFFFAOYSA-N -1 3 383.326 3.422 20 30 GGEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000183275562 1430667750 /nfs/dbraw/zinc/66/77/50/1430667750.db2.gz JTHYSPCFAORZIH-UHFFFAOYSA-N -1 3 383.326 3.422 20 30 GGEDHM CCN(C[C@@H](C)C#N)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183376183 1430694053 /nfs/dbraw/zinc/69/40/53/1430694053.db2.gz LWIYPVFTEABGTA-JXFKEZNVSA-N -1 3 379.460 3.262 20 30 GGEDHM N#CC1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000183519444 1430734050 /nfs/dbraw/zinc/73/40/50/1430734050.db2.gz VDPSDUNTDXZZOW-HXUWFJFHSA-N -1 3 377.444 3.016 20 30 GGEDHM C=CC1CCN(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)CC1 ZINC000183746344 1430785918 /nfs/dbraw/zinc/78/59/18/1430785918.db2.gz TZRMAKDSVLBKKV-UHFFFAOYSA-N -1 3 385.489 3.377 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]1(C)Cc1ccccc1 ZINC000184020418 1430830086 /nfs/dbraw/zinc/83/00/86/1430830086.db2.gz QUEVQOILEJELIF-QHCPKHFHSA-N -1 3 377.488 3.420 20 30 GGEDHM N#CCCN(CC1CC1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184139000 1430846409 /nfs/dbraw/zinc/84/64/09/1430846409.db2.gz NINAWDQMBAYGHH-OAQYLSRUSA-N -1 3 391.471 3.406 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c1cccc2C(F)(F)F ZINC000185761703 1431227318 /nfs/dbraw/zinc/22/73/18/1431227318.db2.gz OGDDNRDKUYAXFH-UHFFFAOYSA-N -1 3 389.377 3.404 20 30 GGEDHM N#Cc1ccc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cc1[O-] ZINC000187867743 1431821776 /nfs/dbraw/zinc/82/17/76/1431821776.db2.gz VCLAFGMODBFDFI-UHFFFAOYSA-N -1 3 392.459 3.331 20 30 GGEDHM CN1CC[C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189070352 1432039303 /nfs/dbraw/zinc/03/93/03/1432039303.db2.gz BDEIRWADBMUBLX-KXBFYZLASA-N -1 3 387.842 3.479 20 30 GGEDHM CN(C)[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000189220014 1432065119 /nfs/dbraw/zinc/06/51/19/1432065119.db2.gz VCMWGABMAIIDNP-MRXNPFEDSA-N -1 3 377.366 3.315 20 30 GGEDHM Cc1cc(C(F)(F)F)ccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000189848373 1432252646 /nfs/dbraw/zinc/25/26/46/1432252646.db2.gz UDGKOZYIYNHWTF-UHFFFAOYSA-N -1 3 391.393 3.440 20 30 GGEDHM COc1ccc([C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)N2CCCCC2)cc1 ZINC000189849188 1432252987 /nfs/dbraw/zinc/25/29/87/1432252987.db2.gz YWTOJEWZNRVCPG-HXUWFJFHSA-N -1 3 379.460 3.229 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)Oc2c(Cl)cccc21 ZINC000189853709 1432253911 /nfs/dbraw/zinc/25/39/11/1432253911.db2.gz XAMYXBWUVVZLDU-NSHDSACASA-N -1 3 385.851 3.264 20 30 GGEDHM CCC(C)(C)N(CCC#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000189910000 1432270619 /nfs/dbraw/zinc/27/06/19/1432270619.db2.gz NSJQNXRUVDDQSJ-UHFFFAOYSA-N -1 3 397.516 3.447 20 30 GGEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(OCCCC)cc2[O-])c1 ZINC000190157661 1432330274 /nfs/dbraw/zinc/33/02/74/1432330274.db2.gz JHCPQMDQBQTODZ-UHFFFAOYSA-N -1 3 380.444 3.263 20 30 GGEDHM N#Cc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1[O-] ZINC000190694074 1432444398 /nfs/dbraw/zinc/44/43/98/1432444398.db2.gz PXKAVERRUMMCKC-UHFFFAOYSA-N -1 3 392.459 3.331 20 30 GGEDHM N#CC(=C([O-])c1ccc(Cl)c(N2CCNC2=O)c1)c1cnc2ccccc2n1 ZINC000190993695 1432545479 /nfs/dbraw/zinc/54/54/79/1432545479.db2.gz JAMTZSNAECRLPW-CYBMUJFWSA-N -1 3 391.818 3.303 20 30 GGEDHM Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1NC(=O)CN1CCCCC1 ZINC000191131709 1432573530 /nfs/dbraw/zinc/57/35/30/1432573530.db2.gz SUWFAUWUBVVQTF-UHFFFAOYSA-N -1 3 392.459 3.249 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000191496266 1432672548 /nfs/dbraw/zinc/67/25/48/1432672548.db2.gz KKLJTXIMXBGYQO-UHFFFAOYSA-N -1 3 395.850 3.274 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccco1)c1ccccn1 ZINC000192466835 1432848199 /nfs/dbraw/zinc/84/81/99/1432848199.db2.gz SEVGHYPCYDGUFO-UHFFFAOYSA-N -1 3 376.416 3.017 20 30 GGEDHM Cc1ccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3)nn2)cc1 ZINC000193403201 1432991789 /nfs/dbraw/zinc/99/17/89/1432991789.db2.gz RYUIGEAQTJTEIJ-MRXNPFEDSA-N -1 3 379.807 3.190 20 30 GGEDHM C=CCN(Cc1ccccc1F)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000193425457 1432996166 /nfs/dbraw/zinc/99/61/66/1432996166.db2.gz JFBGFGAHUMXHTC-UHFFFAOYSA-N -1 3 392.434 3.037 20 30 GGEDHM N#CC(=C([O-])c1ccc(-n2cnnn2)cc1)c1nc2cc(Cl)ccc2s1 ZINC000193773995 1433056747 /nfs/dbraw/zinc/05/67/47/1433056747.db2.gz NBAHCIXRCHYOHH-CYBMUJFWSA-N -1 3 380.820 3.415 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000194582825 1433201496 /nfs/dbraw/zinc/20/14/96/1433201496.db2.gz ATYXJCCEQCRRGF-UHFFFAOYSA-N -1 3 393.365 3.011 20 30 GGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(Br)cs2)c1 ZINC000194588355 1433202144 /nfs/dbraw/zinc/20/21/44/1433202144.db2.gz QWPCNEPNLHDOCR-LBPRGKRZSA-N -1 3 379.235 3.480 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(OC)c2)ccc1F ZINC000194738209 1433222456 /nfs/dbraw/zinc/22/24/56/1433222456.db2.gz OINLRKQKOLQAQY-UHFFFAOYSA-N -1 3 398.843 3.204 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3scnc3c2)ccc1F ZINC000195384493 1433324597 /nfs/dbraw/zinc/32/45/97/1433324597.db2.gz CKXGJLJECZQOHX-UHFFFAOYSA-N -1 3 391.449 3.152 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC/C=C\c2ccccc2)ccc1F ZINC000216122696 1433362746 /nfs/dbraw/zinc/36/27/46/1433362746.db2.gz ICFQXEHHKXEOQO-TWGQIWQCSA-N -1 3 375.421 3.160 20 30 GGEDHM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000248768182 1433821386 /nfs/dbraw/zinc/82/13/86/1433821386.db2.gz OTBVURDMBYGXNQ-VQIMIIECSA-N -1 3 397.500 3.443 20 30 GGEDHM CC(=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2ccccc2c1[O-] ZINC000254316649 1433870824 /nfs/dbraw/zinc/87/08/24/1433870824.db2.gz JURHXIJPZXEWDG-UHFFFAOYSA-N -1 3 399.428 3.465 20 30 GGEDHM CS(=O)(=O)CCc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000255086314 1433876066 /nfs/dbraw/zinc/87/60/66/1433876066.db2.gz FUQQVTDDGJEVMS-UHFFFAOYSA-N -1 3 382.279 3.492 20 30 GGEDHM [O-]c1ccc(Br)cc1/C=N\C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000255361461 1433881181 /nfs/dbraw/zinc/88/11/81/1433881181.db2.gz FPRIEVOKUFPCPF-MNUSFFALSA-N -1 3 386.192 3.292 20 30 GGEDHM COc1cc(/C=C\C(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc(Cl)c1[O-] ZINC000255381328 1433881898 /nfs/dbraw/zinc/88/18/98/1433881898.db2.gz BXMMWJGGNPEZTR-HYXAFXHYSA-N -1 3 384.812 3.493 20 30 GGEDHM O=C1[C@@H](/N=C\c2cc(Br)ccc2[O-])CCCN1CC(F)(F)F ZINC000255383358 1433881904 /nfs/dbraw/zinc/88/19/04/1433881904.db2.gz YYITUIMBOSPWIH-PUVJPQRFSA-N -1 3 379.176 3.127 20 30 GGEDHM O=C1[C@H](/N=C\c2cc(Br)ccc2[O-])CCCN1CC(F)(F)F ZINC000255383357 1433881935 /nfs/dbraw/zinc/88/19/35/1433881935.db2.gz YYITUIMBOSPWIH-DPRYBBTMSA-N -1 3 379.176 3.127 20 30 GGEDHM Cc1nnnn1-c1cc(N=Cc2cc(Br)ccc2[O-])ccc1F ZINC000255425057 1433882633 /nfs/dbraw/zinc/88/26/33/1433882633.db2.gz YYJNKHDUMQMYQU-UHFFFAOYSA-N -1 3 376.189 3.329 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000264157709 1434076738 /nfs/dbraw/zinc/07/67/38/1434076738.db2.gz SVEXRWUOCNLCCR-UHFFFAOYSA-N -1 3 378.432 3.122 20 30 GGEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C(=O)NC(C)C ZINC000264594753 1434132252 /nfs/dbraw/zinc/13/22/52/1434132252.db2.gz AWRVTRMOHJHUQO-UHFFFAOYSA-N -1 3 394.475 3.294 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1[O-] ZINC000265110684 1434186118 /nfs/dbraw/zinc/18/61/18/1434186118.db2.gz WZMZCIQVNHNRKL-UUCQMEITSA-N -1 3 395.381 3.184 20 30 GGEDHM Cc1cccc2oc(CCNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc21 ZINC000266382115 1434328062 /nfs/dbraw/zinc/32/80/62/1434328062.db2.gz XRHBWJPQIAHGOY-UHFFFAOYSA-N -1 3 378.432 3.017 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(OCCCc2ccccc2)C1 ZINC000267266182 1434417970 /nfs/dbraw/zinc/41/79/70/1434417970.db2.gz RLGQEAQHNGJXAP-UHFFFAOYSA-N -1 3 393.487 3.069 20 30 GGEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000267510089 1434442236 /nfs/dbraw/zinc/44/22/36/1434442236.db2.gz ILNDZDUHHVGTFW-KRWDZBQOSA-N -1 3 389.452 3.295 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1CC(=O)c1ccco1 ZINC000268238675 1434504073 /nfs/dbraw/zinc/50/40/73/1434504073.db2.gz QITKGUYOUSMMFY-OAHLLOKOSA-N -1 3 381.432 3.065 20 30 GGEDHM COC(=O)c1cc(F)c(C)c(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000270907347 1434786794 /nfs/dbraw/zinc/78/67/94/1434786794.db2.gz SELAKUYSJZPAFG-UHFFFAOYSA-N -1 3 386.379 3.048 20 30 GGEDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000271517498 1434831285 /nfs/dbraw/zinc/83/12/85/1434831285.db2.gz MFOBAFISKLYFHA-VLIAUNLRSA-N -1 3 385.439 3.240 20 30 GGEDHM COc1ccc([C@@H](OC)[C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000271643910 1434841327 /nfs/dbraw/zinc/84/13/27/1434841327.db2.gz GXSWFSZGROKMRC-BTYIYWSLSA-N -1 3 397.475 3.109 20 30 GGEDHM C#CC[C@H](NCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1ccccc1 ZINC000271755808 1434848319 /nfs/dbraw/zinc/84/83/19/1434848319.db2.gz YRNNFOYNQPPUJX-AWEZNQCLSA-N -1 3 381.457 3.346 20 30 GGEDHM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000271765369 1434848937 /nfs/dbraw/zinc/84/89/37/1434848937.db2.gz BMAGZJPULRHZSF-VLIAUNLRSA-N -1 3 385.439 3.240 20 30 GGEDHM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000271765359 1434848959 /nfs/dbraw/zinc/84/89/59/1434848959.db2.gz BMAGZJPULRHZSF-JLTOFOAXSA-N -1 3 385.439 3.240 20 30 GGEDHM COc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1[N-]S(C)(=O)=O ZINC000272130763 1434873930 /nfs/dbraw/zinc/87/39/30/1434873930.db2.gz UUBNNPCTAYRCLP-ZDUSSCGKSA-N -1 3 375.450 3.142 20 30 GGEDHM COc1cccc(C2=CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)c1 ZINC000272430138 1434895645 /nfs/dbraw/zinc/89/56/45/1434895645.db2.gz RXCKKCJYFNXGIG-UHFFFAOYSA-N -1 3 377.444 3.143 20 30 GGEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000272740536 1434927415 /nfs/dbraw/zinc/92/74/15/1434927415.db2.gz MASFHVJMBAOAKQ-INIZCTEOSA-N -1 3 399.513 3.367 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273317960 1434980405 /nfs/dbraw/zinc/98/04/05/1434980405.db2.gz RKISOWBKSQQEMK-FXAWDEMLSA-N -1 3 397.450 3.384 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273317965 1434980441 /nfs/dbraw/zinc/98/04/41/1434980441.db2.gz RKISOWBKSQQEMK-YLJYHZDGSA-N -1 3 397.450 3.384 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000273724838 1435008114 /nfs/dbraw/zinc/00/81/14/1435008114.db2.gz NDGFYGSAIYMMCC-UHFFFAOYSA-N -1 3 393.487 3.155 20 30 GGEDHM COCCOc1cccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1 ZINC000273819322 1435018116 /nfs/dbraw/zinc/01/81/16/1435018116.db2.gz JNFBGTZISSLKMO-UHFFFAOYSA-N -1 3 394.431 3.136 20 30 GGEDHM CC[C@@H](CC#N)NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000273830388 1435019078 /nfs/dbraw/zinc/01/90/78/1435019078.db2.gz FVUXYHYXOMLFLK-AWEZNQCLSA-N -1 3 397.431 3.084 20 30 GGEDHM CC[C@H](CC#N)NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000273830393 1435019216 /nfs/dbraw/zinc/01/92/16/1435019216.db2.gz FVUXYHYXOMLFLK-CQSZACIVSA-N -1 3 397.431 3.084 20 30 GGEDHM CO[C@@H](C)c1nc(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cs1 ZINC000273832745 1435019507 /nfs/dbraw/zinc/01/95/07/1435019507.db2.gz ALHQQZODLRRHSU-LBPRGKRZSA-N -1 3 399.476 3.199 20 30 GGEDHM CO[C@@H](c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1)c1ccc(F)cc1 ZINC000274064391 1435040804 /nfs/dbraw/zinc/04/08/04/1435040804.db2.gz RUIVZRKOEWWNAE-GOSISDBHSA-N -1 3 382.395 3.319 20 30 GGEDHM N#Cc1cccc(NC(=O)c2cccc(NC([O-])=NO[C@H]3CCCCO3)c2)c1 ZINC000274260728 1435055707 /nfs/dbraw/zinc/05/57/07/1435055707.db2.gz YGTQTWOFDFDZJA-SFHVURJKSA-N -1 3 380.404 3.390 20 30 GGEDHM N#Cc1cccc(NC(=O)c2cccc(NC(=O)[N-]O[C@H]3CCCCO3)c2)c1 ZINC000274260728 1435055709 /nfs/dbraw/zinc/05/57/09/1435055709.db2.gz YGTQTWOFDFDZJA-SFHVURJKSA-N -1 3 380.404 3.390 20 30 GGEDHM C=CC[C@H](C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)c1ccccc1 ZINC000277855331 1435336468 /nfs/dbraw/zinc/33/64/68/1435336468.db2.gz XSOAGMVFSUJSOJ-KRWDZBQOSA-N -1 3 382.464 3.047 20 30 GGEDHM C=CC[C@H](C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)c1ccccc1 ZINC000277855331 1435336469 /nfs/dbraw/zinc/33/64/69/1435336469.db2.gz XSOAGMVFSUJSOJ-KRWDZBQOSA-N -1 3 382.464 3.047 20 30 GGEDHM Cc1nc2sccn2c1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000278095251 1435358824 /nfs/dbraw/zinc/35/88/24/1435358824.db2.gz ZBFAVKGFPSOBDT-UHFFFAOYSA-N -1 3 380.433 3.129 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncc2c(n1)CCC(C)(C)C2 ZINC000278544583 1435398741 /nfs/dbraw/zinc/39/87/41/1435398741.db2.gz SLOSMEUIVHHLMY-UHFFFAOYSA-N -1 3 379.464 3.152 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]([C@H]1CCCOC1)C(F)(F)F ZINC000279272934 1435480200 /nfs/dbraw/zinc/48/02/00/1435480200.db2.gz UGWDYEUTEVXIOJ-BLLLJJGKSA-N -1 3 386.370 3.109 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]([C@@H]1CCCOC1)C(F)(F)F ZINC000279272946 1435480236 /nfs/dbraw/zinc/48/02/36/1435480236.db2.gz UGWDYEUTEVXIOJ-WBMJQRKESA-N -1 3 386.370 3.109 20 30 GGEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000279815972 1435546771 /nfs/dbraw/zinc/54/67/71/1435546771.db2.gz AMIFQNWNAYILGL-KRWDZBQOSA-N -1 3 382.445 3.281 20 30 GGEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000279815973 1435546886 /nfs/dbraw/zinc/54/68/86/1435546886.db2.gz AMIFQNWNAYILGL-QGZVFWFLSA-N -1 3 382.445 3.281 20 30 GGEDHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2)C[C@@H](C)O1 ZINC000280009872 1435575846 /nfs/dbraw/zinc/57/58/46/1435575846.db2.gz SYPQYXUOWWJLSA-HZPDHXFCSA-N -1 3 385.489 3.167 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000280029094 1435579376 /nfs/dbraw/zinc/57/93/76/1435579376.db2.gz YQXNHWXWKVWGLB-CRAIPNDOSA-N -1 3 392.883 3.204 20 30 GGEDHM CCC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](O)c1ccccc1 ZINC000280523685 1435672971 /nfs/dbraw/zinc/67/29/71/1435672971.db2.gz JEAJANBFCZWYEW-FPOVZHCZSA-N -1 3 381.476 3.227 20 30 GGEDHM CCC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](O)c1ccccc1 ZINC000280523702 1435673289 /nfs/dbraw/zinc/67/32/89/1435673289.db2.gz JEAJANBFCZWYEW-TZIWHRDSSA-N -1 3 381.476 3.227 20 30 GGEDHM COC[C@H](C)Nc1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000281243073 1435800480 /nfs/dbraw/zinc/80/04/80/1435800480.db2.gz FNIZCTAJJCYQEP-ZDUSSCGKSA-N -1 3 382.464 3.294 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCCOCc1ccccc1 ZINC000281625790 1435816129 /nfs/dbraw/zinc/81/61/29/1435816129.db2.gz YQOHPSLYUQPEBT-UHFFFAOYSA-N -1 3 381.476 3.274 20 30 GGEDHM N#CCC[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281785910 1435821992 /nfs/dbraw/zinc/82/19/92/1435821992.db2.gz GVPSQDCLLYASJG-MRXNPFEDSA-N -1 3 396.413 3.132 20 30 GGEDHM CCn1ccnc1[C@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000281856041 1435824425 /nfs/dbraw/zinc/82/44/25/1435824425.db2.gz QKQKDGKUIKBCEE-GOSISDBHSA-N -1 3 381.480 3.179 20 30 GGEDHM C=CCn1c(-c2ccccc2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000282623634 1435854083 /nfs/dbraw/zinc/85/40/83/1435854083.db2.gz OLZWQWCVJJTHOS-UHFFFAOYSA-N -1 3 393.413 3.026 20 30 GGEDHM C=CCOc1ccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1OC ZINC000282873806 1435864137 /nfs/dbraw/zinc/86/41/37/1435864137.db2.gz VXVUYCUSPDOOGU-UHFFFAOYSA-N -1 3 392.477 3.252 20 30 GGEDHM C=CCN(CCc1nc(-c2ccccc2)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419579 1441459701 /nfs/dbraw/zinc/45/97/01/1441459701.db2.gz WHXCLNXJRPPRQB-UHFFFAOYSA-N -1 3 387.447 3.147 20 30 GGEDHM CC(=NNc1ncnc2sc3c(c21)CCC3)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962152 1441950778 /nfs/dbraw/zinc/95/07/78/1441950778.db2.gz GGYGVICHDMVLGY-UHFFFAOYSA-N -1 3 394.439 3.335 20 30 GGEDHM C=CCN(CC=Cc1ccccc1[N+](=O)[O-])Cc1cccc(-c2nn[n-]n2)c1 ZINC000823904296 1442111434 /nfs/dbraw/zinc/11/14/34/1442111434.db2.gz ZWVGQXSMJKIBTK-UXBLZVDNSA-N -1 3 376.420 3.476 20 30 GGEDHM C=CCN(CC=Cc1ccccc1[N+](=O)[O-])Cc1cccc(-c2nnn[n-]2)c1 ZINC000823904296 1442111439 /nfs/dbraw/zinc/11/14/39/1442111439.db2.gz ZWVGQXSMJKIBTK-UXBLZVDNSA-N -1 3 376.420 3.476 20 30 GGEDHM C=CCC[C@@H](O)CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000819734362 1443582638 /nfs/dbraw/zinc/58/26/38/1443582638.db2.gz NBGOEIHBHUTLHA-HXUWFJFHSA-N -1 3 381.455 3.335 20 30 GGEDHM C=CCC[C@@H](O)CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000819734362 1443582643 /nfs/dbraw/zinc/58/26/43/1443582643.db2.gz NBGOEIHBHUTLHA-HXUWFJFHSA-N -1 3 381.455 3.335 20 30 GGEDHM CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000820843399 1446717081 /nfs/dbraw/zinc/71/70/81/1446717081.db2.gz XXGIDXJNVGRZHR-KBXCAEBGSA-N -1 3 392.463 3.407 20 30 GGEDHM CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000820843399 1446717086 /nfs/dbraw/zinc/71/70/86/1446717086.db2.gz XXGIDXJNVGRZHR-KBXCAEBGSA-N -1 3 392.463 3.407 20 30 GGEDHM C[C@H](C#N)Oc1ccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000824035291 1447313053 /nfs/dbraw/zinc/31/30/53/1447313053.db2.gz WFFRCUXQCZYQRT-MRXNPFEDSA-N -1 3 386.459 3.447 20 30 GGEDHM C[C@H](C#N)Oc1ccc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000824035291 1447313061 /nfs/dbraw/zinc/31/30/61/1447313061.db2.gz WFFRCUXQCZYQRT-MRXNPFEDSA-N -1 3 386.459 3.447 20 30 GGEDHM C=CCN(Cc1ccc(N(C)CCC#N)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823909764 1449729751 /nfs/dbraw/zinc/72/97/51/1449729751.db2.gz QBGMRLGUQNYXIC-UHFFFAOYSA-N -1 3 387.491 3.405 20 30 GGEDHM Cc1csc(-c2cccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2)n1 ZINC000737448127 945071313 /nfs/dbraw/zinc/07/13/13/945071313.db2.gz KTAWNQONYJVLMG-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM Cc1csc(-c2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2)n1 ZINC000737448127 945071320 /nfs/dbraw/zinc/07/13/20/945071320.db2.gz KTAWNQONYJVLMG-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc(-c2ccncc2)c1 ZINC000737808391 945129541 /nfs/dbraw/zinc/12/95/41/945129541.db2.gz RMWYPYCVQUNMRL-AATRIKPKSA-N -1 3 393.410 3.473 20 30 GGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cccc(-c2ccncc2)c1 ZINC000737808391 945129548 /nfs/dbraw/zinc/12/95/48/945129548.db2.gz RMWYPYCVQUNMRL-AATRIKPKSA-N -1 3 393.410 3.473 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)N[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000908947044 939360529 /nfs/dbraw/zinc/36/05/29/939360529.db2.gz YUZGQHRKUGOARH-FQEVSTJZSA-N -1 3 393.915 3.370 20 30 GGEDHM C=CCc1ccccc1OS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000799744890 945269455 /nfs/dbraw/zinc/26/94/55/945269455.db2.gz SYQMCCWHVGZQOJ-UHFFFAOYSA-N -1 3 376.825 3.016 20 30 GGEDHM C=CCc1ccccc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000799744890 945269464 /nfs/dbraw/zinc/26/94/64/945269464.db2.gz SYQMCCWHVGZQOJ-UHFFFAOYSA-N -1 3 376.825 3.016 20 30 GGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819744074 945278843 /nfs/dbraw/zinc/27/88/43/945278843.db2.gz VJYMDSAAJKCWJF-HNNXBMFYSA-N -1 3 392.463 3.334 20 30 GGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819744074 945278847 /nfs/dbraw/zinc/27/88/47/945278847.db2.gz VJYMDSAAJKCWJF-HNNXBMFYSA-N -1 3 392.463 3.334 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nc(CCC)cs1 ZINC000823915399 946517561 /nfs/dbraw/zinc/51/75/61/946517561.db2.gz WXQJKBQDUUDTSB-UHFFFAOYSA-N -1 3 383.481 3.496 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nc(CCC)cs1 ZINC000823915399 946517566 /nfs/dbraw/zinc/51/75/66/946517566.db2.gz WXQJKBQDUUDTSB-UHFFFAOYSA-N -1 3 383.481 3.496 20 30 GGEDHM C[C@@H](C#N)CN(C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824034931 946561209 /nfs/dbraw/zinc/56/12/09/946561209.db2.gz QMVIFHSRPJEWKE-LSDHHAIUSA-N -1 3 389.463 3.396 20 30 GGEDHM C[C@@H](C#N)CN(C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824034931 946561220 /nfs/dbraw/zinc/56/12/20/946561220.db2.gz QMVIFHSRPJEWKE-LSDHHAIUSA-N -1 3 389.463 3.396 20 30 GGEDHM C#CC1(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CCCC1 ZINC001573278962 946628236 /nfs/dbraw/zinc/62/82/36/946628236.db2.gz AUAYXXHSKZDNSU-UHFFFAOYSA-N -1 3 387.443 3.122 20 30 GGEDHM C#C[C@@H](C)N(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC1(CC)CCC1 ZINC001573279155 946633054 /nfs/dbraw/zinc/63/30/54/946633054.db2.gz CKPBQCWEOGCURX-OAHLLOKOSA-N -1 3 390.495 3.163 20 30 GGEDHM C#C[C@@H](C)N(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC1(CC)CCC1 ZINC001573279155 946633064 /nfs/dbraw/zinc/63/30/64/946633064.db2.gz CKPBQCWEOGCURX-OAHLLOKOSA-N -1 3 390.495 3.163 20 30 GGEDHM C#C[C@@H](NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)c1ccccc1 ZINC001573279245 946635474 /nfs/dbraw/zinc/63/54/74/946635474.db2.gz DVIUHTCQMSGQOH-GOSISDBHSA-N -1 3 399.410 3.143 20 30 GGEDHM C#C[C@@H](NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)c1ccccc1 ZINC001573279245 946635478 /nfs/dbraw/zinc/63/54/78/946635478.db2.gz DVIUHTCQMSGQOH-GOSISDBHSA-N -1 3 399.410 3.143 20 30 GGEDHM C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CC(C)(C)CC=C ZINC001573281371 946674000 /nfs/dbraw/zinc/67/40/00/946674000.db2.gz YGQOHNMPNLYHFT-OAHLLOKOSA-N -1 3 390.495 3.185 20 30 GGEDHM C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CC(C)(C)CC=C ZINC001573281371 946674003 /nfs/dbraw/zinc/67/40/03/946674003.db2.gz YGQOHNMPNLYHFT-OAHLLOKOSA-N -1 3 390.495 3.185 20 30 GGEDHM C#CCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCc2ccccc21 ZINC001573283822 946726748 /nfs/dbraw/zinc/72/67/48/946726748.db2.gz VYCJEWJIAFONGZ-OAQYLSRUSA-N -1 3 385.471 3.339 20 30 GGEDHM C#CCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCc2ccccc21 ZINC001573283822 946726758 /nfs/dbraw/zinc/72/67/58/946726758.db2.gz VYCJEWJIAFONGZ-OAQYLSRUSA-N -1 3 385.471 3.339 20 30 GGEDHM C#CCC1(C(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)CCCCC1 ZINC001573285457 946778164 /nfs/dbraw/zinc/77/81/64/946778164.db2.gz XBUUQCGIBNWBIC-UHFFFAOYSA-N -1 3 389.463 3.024 20 30 GGEDHM C#CCC1(C(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)CCCCC1 ZINC001573285457 946778167 /nfs/dbraw/zinc/77/81/67/946778167.db2.gz XBUUQCGIBNWBIC-UHFFFAOYSA-N -1 3 389.463 3.024 20 30 GGEDHM C#CCOc1ccccc1CNc1cc(Br)ccc1-c1nnn[n-]1 ZINC001573289819 946892347 /nfs/dbraw/zinc/89/23/47/946892347.db2.gz QJLKXYVODKIRJX-UHFFFAOYSA-N -1 3 384.237 3.253 20 30 GGEDHM C#CCOc1ccccc1CNc1cc(Br)ccc1-c1nn[n-]n1 ZINC001573289819 946892358 /nfs/dbraw/zinc/89/23/58/946892358.db2.gz QJLKXYVODKIRJX-UHFFFAOYSA-N -1 3 384.237 3.253 20 30 GGEDHM C#Cc1ccc([C@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2F)C(F)(F)F)cc1 ZINC001573290514 946905379 /nfs/dbraw/zinc/90/53/79/946905379.db2.gz LCLNSPCATRXLQW-HNNXBMFYSA-N -1 3 390.296 3.448 20 30 GGEDHM C#Cc1ccc([C@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2F)C(F)(F)F)cc1 ZINC001573290514 946905391 /nfs/dbraw/zinc/90/53/91/946905391.db2.gz LCLNSPCATRXLQW-HNNXBMFYSA-N -1 3 390.296 3.448 20 30 GGEDHM C#Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573290550 946907519 /nfs/dbraw/zinc/90/75/19/946907519.db2.gz LLRYMOALPOJYSM-UHFFFAOYSA-N -1 3 385.383 3.272 20 30 GGEDHM C#Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573290550 946907528 /nfs/dbraw/zinc/90/75/28/946907528.db2.gz LLRYMOALPOJYSM-UHFFFAOYSA-N -1 3 385.383 3.272 20 30 GGEDHM C=C(C)CN(CC)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1C[C@H](C)SC ZINC001573293622 946963403 /nfs/dbraw/zinc/96/34/03/946963403.db2.gz DKKKOOXNCOGHHK-AWEZNQCLSA-N -1 3 398.540 3.279 20 30 GGEDHM C=C(C)CN(CC)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1C[C@H](C)SC ZINC001573293622 946963407 /nfs/dbraw/zinc/96/34/07/946963407.db2.gz DKKKOOXNCOGHHK-AWEZNQCLSA-N -1 3 398.540 3.279 20 30 GGEDHM C=C(C)CCC(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OCC ZINC001573293736 946965271 /nfs/dbraw/zinc/96/52/71/946965271.db2.gz IEUXJPQRBWCOBV-UHFFFAOYSA-N -1 3 381.230 3.290 20 30 GGEDHM C=C(C)CCC(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OCC ZINC001573293736 946965269 /nfs/dbraw/zinc/96/52/69/946965269.db2.gz IEUXJPQRBWCOBV-UHFFFAOYSA-N -1 3 381.230 3.290 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001573293676 946965674 /nfs/dbraw/zinc/96/56/74/946965674.db2.gz FYPWTRSMJYRZMG-GJZGRUSLSA-N -1 3 378.484 3.184 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001573293676 946965682 /nfs/dbraw/zinc/96/56/82/946965682.db2.gz FYPWTRSMJYRZMG-GJZGRUSLSA-N -1 3 378.484 3.184 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)C1CCCC1 ZINC001573293776 946966770 /nfs/dbraw/zinc/96/67/70/946966770.db2.gz JABJDEKHJJATLO-UHFFFAOYSA-N -1 3 378.484 3.470 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)C1CCCC1 ZINC001573293776 946966776 /nfs/dbraw/zinc/96/67/76/946966776.db2.gz JABJDEKHJJATLO-UHFFFAOYSA-N -1 3 378.484 3.470 20 30 GGEDHM C=C(C)C[C@H](Nc1cc(Br)c(-c2nnn[n-]2)cc1F)C(=O)OCC ZINC001573300707 947120278 /nfs/dbraw/zinc/12/02/78/947120278.db2.gz SMFWOKGMWITUOG-ZDUSSCGKSA-N -1 3 398.236 3.078 20 30 GGEDHM C=C(C)C[C@H](Nc1cc(Br)c(-c2nn[n-]n2)cc1F)C(=O)OCC ZINC001573300707 947120284 /nfs/dbraw/zinc/12/02/84/947120284.db2.gz SMFWOKGMWITUOG-ZDUSSCGKSA-N -1 3 398.236 3.078 20 30 GGEDHM CCCOc1ccc(C=NOCCOc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000825339164 947159360 /nfs/dbraw/zinc/15/93/60/947159360.db2.gz PLXAZDSEIDDESD-UHFFFAOYSA-N -1 3 397.435 3.094 20 30 GGEDHM CCCOc1ccc(C=NOCCOc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000825339164 947159364 /nfs/dbraw/zinc/15/93/64/947159364.db2.gz PLXAZDSEIDDESD-UHFFFAOYSA-N -1 3 397.435 3.094 20 30 GGEDHM C=CC1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CC2(C)CC2)CC1 ZINC001573316129 947265256 /nfs/dbraw/zinc/26/52/56/947265256.db2.gz SANIQNGWSIGIBE-UHFFFAOYSA-N -1 3 390.495 3.328 20 30 GGEDHM C=CC1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CC2(C)CC2)CC1 ZINC001573316129 947265270 /nfs/dbraw/zinc/26/52/70/947265270.db2.gz SANIQNGWSIGIBE-UHFFFAOYSA-N -1 3 390.495 3.328 20 30 GGEDHM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001573326394 947371697 /nfs/dbraw/zinc/37/16/97/947371697.db2.gz OPPZGYJBFIZRBX-GOSISDBHSA-N -1 3 376.464 3.162 20 30 GGEDHM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001573326394 947371711 /nfs/dbraw/zinc/37/17/11/947371711.db2.gz OPPZGYJBFIZRBX-GOSISDBHSA-N -1 3 376.464 3.162 20 30 GGEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001573329828 947425210 /nfs/dbraw/zinc/42/52/10/947425210.db2.gz PRRWSKMYEUQQEX-HNNXBMFYSA-N -1 3 377.408 3.236 20 30 GGEDHM C=CCCC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001573334961 947467550 /nfs/dbraw/zinc/46/75/50/947467550.db2.gz KEOVTAGTSMNMHM-IBGZPJMESA-N -1 3 377.448 3.459 20 30 GGEDHM C=CCCCCCCCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC001573334959 947467765 /nfs/dbraw/zinc/46/77/65/947467765.db2.gz KCYOPEXFMOWBPM-UHFFFAOYSA-N -1 3 383.905 3.325 20 30 GGEDHM C=CCCCCCCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001573334959 947467774 /nfs/dbraw/zinc/46/77/74/947467774.db2.gz KCYOPEXFMOWBPM-UHFFFAOYSA-N -1 3 383.905 3.325 20 30 GGEDHM C=CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCS[C@@H](C)C1 ZINC001573335189 947475108 /nfs/dbraw/zinc/47/51/08/947475108.db2.gz NYFCLNACRIFPNB-AWEZNQCLSA-N -1 3 396.524 3.033 20 30 GGEDHM C=CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCS[C@@H](C)C1 ZINC001573335189 947475114 /nfs/dbraw/zinc/47/51/14/947475114.db2.gz NYFCLNACRIFPNB-AWEZNQCLSA-N -1 3 396.524 3.033 20 30 GGEDHM C=CCCC[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001573335792 947490811 /nfs/dbraw/zinc/49/08/11/947490811.db2.gz UZDUFEBGQMZHSM-SFHVURJKSA-N -1 3 377.448 3.459 20 30 GGEDHM C=CCCC[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001573335792 947490816 /nfs/dbraw/zinc/49/08/16/947490816.db2.gz UZDUFEBGQMZHSM-SFHVURJKSA-N -1 3 377.448 3.459 20 30 GGEDHM C=CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H]1CC ZINC001573335954 947495757 /nfs/dbraw/zinc/49/57/57/947495757.db2.gz XQEMDWIPOJUJHA-KRWDZBQOSA-N -1 3 378.484 3.470 20 30 GGEDHM C=CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H]1CC ZINC001573335954 947495766 /nfs/dbraw/zinc/49/57/66/947495766.db2.gz XQEMDWIPOJUJHA-KRWDZBQOSA-N -1 3 378.484 3.470 20 30 GGEDHM C=CCN(C(=O)c1ccc(-c2nnn[n-]2)n1C)c1nc(-c2ccccc2)cs1 ZINC001573340908 947520492 /nfs/dbraw/zinc/52/04/92/947520492.db2.gz CHXKKMHFWJJESF-UHFFFAOYSA-N -1 3 391.460 3.162 20 30 GGEDHM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)n1C)c1nc(-c2ccccc2)cs1 ZINC001573340908 947520500 /nfs/dbraw/zinc/52/05/00/947520500.db2.gz CHXKKMHFWJJESF-UHFFFAOYSA-N -1 3 391.460 3.162 20 30 GGEDHM C=CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1C[C@]1(C)CCCS1 ZINC001573341367 947530379 /nfs/dbraw/zinc/53/03/79/947530379.db2.gz MBEXRHHZBPCOAV-IBGZPJMESA-N -1 3 396.524 3.033 20 30 GGEDHM C=CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1C[C@]1(C)CCCS1 ZINC001573341367 947530392 /nfs/dbraw/zinc/53/03/92/947530392.db2.gz MBEXRHHZBPCOAV-IBGZPJMESA-N -1 3 396.524 3.033 20 30 GGEDHM C=CCCOCCCCC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001573341632 947534515 /nfs/dbraw/zinc/53/45/15/947534515.db2.gz ONXZMOALAIJKBZ-UHFFFAOYSA-N -1 3 399.373 3.467 20 30 GGEDHM C=CCCOCCCCC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001573341632 947534569 /nfs/dbraw/zinc/53/45/69/947534569.db2.gz ONXZMOALAIJKBZ-UHFFFAOYSA-N -1 3 399.373 3.467 20 30 GGEDHM C=CCN(CCc1ccccc1)C(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001573341930 947536891 /nfs/dbraw/zinc/53/68/91/947536891.db2.gz RJBAYGDXSLGWGD-UHFFFAOYSA-N -1 3 396.426 3.277 20 30 GGEDHM C=CCN(CCc1ccccc1)C(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001573341930 947536902 /nfs/dbraw/zinc/53/69/02/947536902.db2.gz RJBAYGDXSLGWGD-UHFFFAOYSA-N -1 3 396.426 3.277 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1cc(C)ccc1F ZINC001573342093 947538126 /nfs/dbraw/zinc/53/81/26/947538126.db2.gz TVDFVWHGHPKXQV-UHFFFAOYSA-N -1 3 394.454 3.255 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1cc(C)ccc1F ZINC001573342093 947538138 /nfs/dbraw/zinc/53/81/38/947538138.db2.gz TVDFVWHGHPKXQV-UHFFFAOYSA-N -1 3 394.454 3.255 20 30 GGEDHM C=CCN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H](C)COC ZINC001573342263 947539291 /nfs/dbraw/zinc/53/92/91/947539291.db2.gz VZAINQBHEGIFND-HNNXBMFYSA-N -1 3 393.447 3.322 20 30 GGEDHM C=CCN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H](C)COC ZINC001573342263 947539297 /nfs/dbraw/zinc/53/92/97/947539297.db2.gz VZAINQBHEGIFND-HNNXBMFYSA-N -1 3 393.447 3.322 20 30 GGEDHM C=CCN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@H](C)COC ZINC001573342267 947539964 /nfs/dbraw/zinc/53/99/64/947539964.db2.gz VZAINQBHEGIFND-OAHLLOKOSA-N -1 3 393.447 3.322 20 30 GGEDHM C=CCN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@H](C)COC ZINC001573342267 947539978 /nfs/dbraw/zinc/53/99/78/947539978.db2.gz VZAINQBHEGIFND-OAHLLOKOSA-N -1 3 393.447 3.322 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1OCc2ccccc21 ZINC001573342454 947540767 /nfs/dbraw/zinc/54/07/67/947540767.db2.gz YTSFSSFDMBQJCD-IBGZPJMESA-N -1 3 375.432 3.043 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1OCc2ccccc21 ZINC001573342454 947540777 /nfs/dbraw/zinc/54/07/77/947540777.db2.gz YTSFSSFDMBQJCD-IBGZPJMESA-N -1 3 375.432 3.043 20 30 GGEDHM C=CCc1ccc(OC(=O)Cc2c(C)cc(-c3nnn[n-]3)cc2C)c(OC)c1 ZINC001573347941 947578545 /nfs/dbraw/zinc/57/85/45/947578545.db2.gz KBIKJWCISYSDIL-UHFFFAOYSA-N -1 3 378.432 3.369 20 30 GGEDHM C=CCc1ccc(OC(=O)Cc2c(C)cc(-c3nn[n-]n3)cc2C)c(OC)c1 ZINC001573347941 947578557 /nfs/dbraw/zinc/57/85/57/947578557.db2.gz KBIKJWCISYSDIL-UHFFFAOYSA-N -1 3 378.432 3.369 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001573348027 947578973 /nfs/dbraw/zinc/57/89/73/947578973.db2.gz LMFYFDLZCFJPPX-KRWDZBQOSA-N -1 3 378.484 3.184 20 30 GGEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001573348027 947578986 /nfs/dbraw/zinc/57/89/86/947578986.db2.gz LMFYFDLZCFJPPX-KRWDZBQOSA-N -1 3 378.484 3.184 20 30 GGEDHM C=CCn1ncc2ccc(NC(=O)N(C)Cc3cc(-c4nnn[n-]4)cs3)cc21 ZINC001573351622 947617477 /nfs/dbraw/zinc/61/74/77/947617477.db2.gz UPZJSTMTVYVXTN-UHFFFAOYSA-N -1 3 394.464 3.128 20 30 GGEDHM C=CCn1ncc2ccc(NC(=O)N(C)Cc3cc(-c4nn[n-]n4)cs3)cc21 ZINC001573351622 947617483 /nfs/dbraw/zinc/61/74/83/947617483.db2.gz UPZJSTMTVYVXTN-UHFFFAOYSA-N -1 3 394.464 3.128 20 30 GGEDHM Cc1c(Cl)cnc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1-c1nnn[n-]1 ZINC000826240530 947715618 /nfs/dbraw/zinc/71/56/18/947715618.db2.gz YLRJZHPQLCQBIN-UHFFFAOYSA-N -1 3 391.826 3.097 20 30 GGEDHM Cc1c(Cl)cnc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1-c1nn[n-]n1 ZINC000826240530 947715625 /nfs/dbraw/zinc/71/56/25/947715625.db2.gz YLRJZHPQLCQBIN-UHFFFAOYSA-N -1 3 391.826 3.097 20 30 GGEDHM N#Cc1ccc(NC(=O)c2coc(-c3ccccc3Cl)n2)cc1-c1nnn[n-]1 ZINC000826385251 948188024 /nfs/dbraw/zinc/18/80/24/948188024.db2.gz DEXFNCDBXXKYBR-UHFFFAOYSA-N -1 3 391.778 3.299 20 30 GGEDHM N#Cc1ccc(NC(=O)c2coc(-c3ccccc3Cl)n2)cc1-c1nn[n-]n1 ZINC000826385251 948188028 /nfs/dbraw/zinc/18/80/28/948188028.db2.gz DEXFNCDBXXKYBR-UHFFFAOYSA-N -1 3 391.778 3.299 20 30 GGEDHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001573854039 950335663 /nfs/dbraw/zinc/33/56/63/950335663.db2.gz XOULJLHVLWGBOP-CQSZACIVSA-N -1 3 397.483 3.187 20 30 GGEDHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001573854039 950335684 /nfs/dbraw/zinc/33/56/84/950335684.db2.gz XOULJLHVLWGBOP-CQSZACIVSA-N -1 3 397.483 3.187 20 30 GGEDHM C=CCN1CCC(NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CC1 ZINC001573369460 963096791 /nfs/dbraw/zinc/09/67/91/963096791.db2.gz ZSMVPPKMBKJNEC-UHFFFAOYSA-N -1 3 386.496 3.147 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001592225943 977413908 /nfs/dbraw/zinc/41/39/08/977413908.db2.gz QECFQPDZJCXGFK-QZNHQWIBSA-N -1 3 387.505 3.204 20 30 GGEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(CCC(=O)[O-])C(C)C)c1C#N ZINC000832849541 979050657 /nfs/dbraw/zinc/05/06/57/979050657.db2.gz ISMVXHMWESIPFT-UHFFFAOYSA-N -1 3 382.464 3.089 20 30 GGEDHM C=CCCC[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000910916468 982163229 /nfs/dbraw/zinc/16/32/29/982163229.db2.gz WBMUIYGOYBWTBH-QFBILLFUSA-N -1 3 398.425 3.367 20 30 GGEDHM C#CCN(Cc1ccc(C(=O)[O-])s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001588469297 983501439 /nfs/dbraw/zinc/50/14/39/983501439.db2.gz CCFOKYPCUZMKEG-UHFFFAOYSA-N -1 3 378.494 3.281 20 30 GGEDHM C=C(C)[C@@H](NCCCN1C(=O)CS/C1=C\C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588534411 983585600 /nfs/dbraw/zinc/58/56/00/983585600.db2.gz GGHLJZYKHROMHW-YZIPPPLESA-N -1 3 382.432 3.063 20 30 GGEDHM C=CC[C@@H](C(=O)[O-])N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001588729457 983989692 /nfs/dbraw/zinc/98/96/92/983989692.db2.gz KORAQLXHCDEJRN-NRFANRHFSA-N -1 3 394.471 3.053 20 30 GGEDHM C=CCOC[C@H](NCc1cc(F)ccc1Oc1cncc(Cl)c1)C(=O)[O-] ZINC001588866399 984425057 /nfs/dbraw/zinc/42/50/57/984425057.db2.gz OJJPBXAVZCGROP-INIZCTEOSA-N -1 3 380.803 3.412 20 30 GGEDHM CCO[C@@H]1C[C@@](NCc2cc(C#N)ccc2Br)(C(=O)[O-])C1(C)C ZINC001596838460 985507173 /nfs/dbraw/zinc/50/71/73/985507173.db2.gz OBUMTOKMYCFINA-RHSMWYFYSA-N -1 3 381.270 3.069 20 30 GGEDHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(CCC(=O)[O-])CC(C)C)c1C#N ZINC001599973502 986048900 /nfs/dbraw/zinc/04/89/00/986048900.db2.gz WLHCQKONJYMLLQ-UHFFFAOYSA-N -1 3 388.512 3.463 20 30 GGEDHM CC(C)(C)OC(=O)N1CCCN(CCC2(C#N)CCCCC2)[C@H](C(=O)[O-])C1 ZINC001590034618 989047415 /nfs/dbraw/zinc/04/74/15/989047415.db2.gz HSVGUMGTCGSNLF-INIZCTEOSA-N -1 3 379.501 3.247 20 30 GGEDHM CN1CCC[C@@H](NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001598594553 993485295 /nfs/dbraw/zinc/48/52/95/993485295.db2.gz PQPRMCYWIMFBBV-HXUWFJFHSA-N -1 3 377.444 3.000 20 30 GGEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC001593195548 994147902 /nfs/dbraw/zinc/14/79/02/994147902.db2.gz QMGRCJVZHPCDQN-LIRRHRJNSA-N -1 3 379.416 3.381 20 30 GGEDHM C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593217555 994272786 /nfs/dbraw/zinc/27/27/86/994272786.db2.gz AGNLIDRFPBJCNL-HNNXBMFYSA-N -1 3 379.460 3.277 20 30 GGEDHM C[C@@H](N[C@@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001593222053 994330859 /nfs/dbraw/zinc/33/08/59/994330859.db2.gz GHTBZVUKJIUDQW-IIBYNOLFSA-N -1 3 391.471 3.342 20 30 GGEDHM COc1cccc([C@H]2[C@@H](NCc3cccc(C(=O)[O-])c3C#N)CCN2C2CC2)c1 ZINC001599667414 994752634 /nfs/dbraw/zinc/75/26/34/994752634.db2.gz NOZWSDRTHHBBKV-VXKWHMMOSA-N -1 3 391.471 3.333 20 30 GGEDHM C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001594292775 999129481 /nfs/dbraw/zinc/12/94/81/999129481.db2.gz UGERWSHTWPAIOQ-GHZBRMKWSA-N -1 3 397.519 3.034 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000014236779 210111701 /nfs/dbraw/zinc/11/17/01/210111701.db2.gz WUOGSELPVPUNBM-KRWDZBQOSA-N -1 3 385.464 3.288 20 30 GGEDHM Cc1ccc([C@H]2OCCC[C@H]2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000072307248 211087332 /nfs/dbraw/zinc/08/73/32/211087332.db2.gz ASLVVDNTQJXGRJ-IFMALSPDSA-N -1 3 393.487 3.141 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(I)c2)nc(C)n1 ZINC000041574229 564434293 /nfs/dbraw/zinc/43/42/93/564434293.db2.gz GPIOKZWRFHQCNI-CYBMUJFWSA-N -1 3 377.185 3.188 20 30 GGEDHM CC#CCC[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000476511278 567330629 /nfs/dbraw/zinc/33/06/29/567330629.db2.gz NXVFXUGMKVVHOH-UHFFFAOYSA-N -1 3 395.116 3.212 20 30 GGEDHM C[C@@H]1CCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000004880333 564208155 /nfs/dbraw/zinc/20/81/55/564208155.db2.gz TWCHSPGJMUDMBZ-NXEZZACHSA-N -1 3 395.344 3.324 20 30 GGEDHM C=CCn1c(SCc2cc(=O)c([O-])co2)nc2sc(C)c(C)c2c1=O ZINC000007781212 564240446 /nfs/dbraw/zinc/24/04/46/564240446.db2.gz TVEGUUNLUDMGKD-UHFFFAOYSA-N -1 3 376.459 3.212 20 30 GGEDHM C[C@@H]1CN(Cc2csc([N-]C(=O)c3ccc([N+](=O)[O-])s3)n2)C[C@H](C)O1 ZINC000022300550 564316184 /nfs/dbraw/zinc/31/61/84/564316184.db2.gz ZPESKBMYACXZIG-AOOOYVTPSA-N -1 3 382.467 3.358 20 30 GGEDHM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(Br)c1 ZINC000120565954 564327096 /nfs/dbraw/zinc/32/70/96/564327096.db2.gz RIASOIGGIOKIGB-UHFFFAOYSA-N -1 3 396.222 3.338 20 30 GGEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1 ZINC000122096734 564400192 /nfs/dbraw/zinc/40/01/92/564400192.db2.gz PRRAHGYJPFIXOL-OAHLLOKOSA-N -1 3 388.221 3.108 20 30 GGEDHM C=C(C)C[N-]S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000122683206 564422808 /nfs/dbraw/zinc/42/28/08/564422808.db2.gz YHKMCDNMBGPNKW-UHFFFAOYSA-N -1 3 383.105 3.374 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(I)cc2)nc(C)n1 ZINC000041574320 564434542 /nfs/dbraw/zinc/43/45/42/564434542.db2.gz HVPOMTXVJUROOO-ZDUSSCGKSA-N -1 3 377.185 3.188 20 30 GGEDHM COc1ccsc1S(=O)(=O)[N-]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000123174575 564440949 /nfs/dbraw/zinc/44/09/49/564440949.db2.gz IYESVORVULWZIJ-UHFFFAOYSA-N -1 3 375.393 3.106 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1nc(C(F)(F)F)cs1 ZINC000123621250 564455543 /nfs/dbraw/zinc/45/55/43/564455543.db2.gz ZNAQKQQOPVAWGJ-UHFFFAOYSA-N -1 3 395.815 3.208 20 30 GGEDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1 ZINC000123723686 564459370 /nfs/dbraw/zinc/45/93/70/564459370.db2.gz IXDOPJQISHKXLI-UHFFFAOYSA-N -1 3 380.853 3.428 20 30 GGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1cccc(Br)c1 ZINC000125482050 564515657 /nfs/dbraw/zinc/51/56/57/564515657.db2.gz XMFPCXZVSKYIRW-CQSZACIVSA-N -1 3 382.221 3.223 20 30 GGEDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000125647954 564521471 /nfs/dbraw/zinc/52/14/71/564521471.db2.gz FLPHKXKRTYABEZ-SECBINFHSA-N -1 3 375.397 3.382 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1csc(-c2ccco2)n1 ZINC000126839568 564564682 /nfs/dbraw/zinc/56/46/82/564564682.db2.gz RLUCGGNPEUYLFF-UHFFFAOYSA-N -1 3 379.850 3.407 20 30 GGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000054178348 564600226 /nfs/dbraw/zinc/60/02/26/564600226.db2.gz WFVXNWBKQFXVNB-VIFPVBQESA-N -1 3 396.104 3.182 20 30 GGEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000130485643 564682893 /nfs/dbraw/zinc/68/28/93/564682893.db2.gz KUDHMMSYVLOBNX-IAQYHMDHSA-N -1 3 387.299 3.208 20 30 GGEDHM Cc1cn2c(/C=C/C(=O)c3ccc([N-]S(C)(=O)=O)cc3)c(C)nc2s1 ZINC000058381510 564683026 /nfs/dbraw/zinc/68/30/26/564683026.db2.gz RKAQEQDUZSYXSJ-CMDGGOBGSA-N -1 3 375.475 3.280 20 30 GGEDHM CN(CCC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000060617287 564701364 /nfs/dbraw/zinc/70/13/64/564701364.db2.gz YPTMUUAACXIZQY-UHFFFAOYSA-N -1 3 377.853 3.126 20 30 GGEDHM CSCC[N-]C(=S)C(C(=O)c1ccc(C)s1)[n+]1cc([O-])ccc1F ZINC000131248330 564706518 /nfs/dbraw/zinc/70/65/18/564706518.db2.gz GRJJMVAFKAGOCJ-UHFFFAOYSA-O -1 3 385.531 3.080 20 30 GGEDHM C[C@@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000064346016 564728300 /nfs/dbraw/zinc/72/83/00/564728300.db2.gz MIIQIEVYAKJVRK-LBPRGKRZSA-N -1 3 377.853 3.173 20 30 GGEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1I ZINC000064372434 564728367 /nfs/dbraw/zinc/72/83/67/564728367.db2.gz CHLIVZOLRXUSQA-UHFFFAOYSA-N -1 3 391.172 3.108 20 30 GGEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1I ZINC000064372434 564728372 /nfs/dbraw/zinc/72/83/72/564728372.db2.gz CHLIVZOLRXUSQA-UHFFFAOYSA-N -1 3 391.172 3.108 20 30 GGEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1I ZINC000064372434 564728375 /nfs/dbraw/zinc/72/83/75/564728375.db2.gz CHLIVZOLRXUSQA-UHFFFAOYSA-N -1 3 391.172 3.108 20 30 GGEDHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)o1 ZINC000133188570 564765760 /nfs/dbraw/zinc/76/57/60/564765760.db2.gz BPZKSKZHDKCKNU-UHFFFAOYSA-N -1 3 378.475 3.279 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000066800897 564775796 /nfs/dbraw/zinc/77/57/96/564775796.db2.gz SARGBRXVDJMXOA-GFCCVEGCSA-N -1 3 378.475 3.471 20 30 GGEDHM N#CC(=C([O-])c1ccc(Br)c(F)c1)c1nnc2n1CCCCC2 ZINC000069345677 564837805 /nfs/dbraw/zinc/83/78/05/564837805.db2.gz XVQFQJGUUVBCBD-NSHDSACASA-N -1 3 377.217 3.396 20 30 GGEDHM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)c1C#N ZINC000137251981 564860558 /nfs/dbraw/zinc/86/05/58/564860558.db2.gz TZCXMRYDEIZSRR-UHFFFAOYSA-N -1 3 377.853 3.023 20 30 GGEDHM C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1cc(=O)c([O-])co1 ZINC000079019235 564865781 /nfs/dbraw/zinc/86/57/81/564865781.db2.gz OQYZHHSNJWCHKI-UHFFFAOYSA-N -1 3 376.821 3.187 20 30 GGEDHM C=C(C)CN(CC)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000150958439 564898992 /nfs/dbraw/zinc/89/89/92/564898992.db2.gz HSQZNAZXRAPRQG-UHFFFAOYSA-N -1 3 396.228 3.171 20 30 GGEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000096710833 564903164 /nfs/dbraw/zinc/90/31/64/564903164.db2.gz OUINFLOHPNEDKV-SNVBAGLBSA-N -1 3 396.104 3.038 20 30 GGEDHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)sc1C ZINC000152184479 564949929 /nfs/dbraw/zinc/94/99/29/564949929.db2.gz MNPBGEHELGIADV-UHFFFAOYSA-N -1 3 389.424 3.171 20 30 GGEDHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000108404917 565011073 /nfs/dbraw/zinc/01/10/73/565011073.db2.gz MQGJALAPLAFGJJ-UHFFFAOYSA-N -1 3 389.424 3.171 20 30 GGEDHM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000154196696 565029713 /nfs/dbraw/zinc/02/97/13/565029713.db2.gz OMZWENYEHYSNFD-NSHDSACASA-N -1 3 375.450 3.217 20 30 GGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCSc1ccc(Cl)cc1 ZINC000156202766 565075785 /nfs/dbraw/zinc/07/57/85/565075785.db2.gz RYVXYRGFHWXNSS-UHFFFAOYSA-N -1 3 397.865 3.190 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)c(Cl)c1 ZINC000183632051 565083124 /nfs/dbraw/zinc/08/31/24/565083124.db2.gz DKVMFULIHCGZQC-AEFFLSMTSA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)c(Cl)c1 ZINC000183632017 565083409 /nfs/dbraw/zinc/08/34/09/565083409.db2.gz DKVMFULIHCGZQC-WMZOPIPTSA-N -1 3 376.865 3.410 20 30 GGEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C ZINC000184281959 565125370 /nfs/dbraw/zinc/12/53/70/565125370.db2.gz URHZUVVVIBSCQG-UHFFFAOYSA-N -1 3 378.837 3.416 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc(Cl)c1 ZINC000157793660 565145019 /nfs/dbraw/zinc/14/50/19/565145019.db2.gz JJQAQFOCUSPQDB-UHFFFAOYSA-N -1 3 379.825 3.333 20 30 GGEDHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000184836149 565159983 /nfs/dbraw/zinc/15/99/83/565159983.db2.gz VKWSGIIAHWZHOH-UHFFFAOYSA-N -1 3 397.250 3.139 20 30 GGEDHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184979856 565168645 /nfs/dbraw/zinc/16/86/45/565168645.db2.gz HOLGXORTFXDDIK-UHFFFAOYSA-N -1 3 386.901 3.392 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)c1 ZINC000185211781 565186950 /nfs/dbraw/zinc/18/69/50/565186950.db2.gz XTQMNRFZFHNEIU-UHFFFAOYSA-N -1 3 379.850 3.407 20 30 GGEDHM COC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(F)c(F)c1 ZINC000185667478 565214763 /nfs/dbraw/zinc/21/47/63/565214763.db2.gz NMXPTCKHLXLDDH-OAHLLOKOSA-N -1 3 386.807 3.156 20 30 GGEDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CC(C)(C)CC#N ZINC000295169068 565249326 /nfs/dbraw/zinc/24/93/26/565249326.db2.gz GJDCCSKMDFNYBX-UHFFFAOYSA-N -1 3 389.315 3.246 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3)C2)c1 ZINC000186399806 565259867 /nfs/dbraw/zinc/25/98/67/565259867.db2.gz ARJAHGVLXBDDID-OAHLLOKOSA-N -1 3 375.881 3.016 20 30 GGEDHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000271644635 565262407 /nfs/dbraw/zinc/26/24/07/565262407.db2.gz GZDUZJFEPQXBBG-OCCSQVGLSA-N -1 3 376.400 3.059 20 30 GGEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c1 ZINC000161152134 565274746 /nfs/dbraw/zinc/27/47/46/565274746.db2.gz ZRVQNDFBLPDUFA-CQSZACIVSA-N -1 3 387.299 3.208 20 30 GGEDHM O=C(CNCC(F)(F)F)[N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000272470989 565288568 /nfs/dbraw/zinc/28/85/68/565288568.db2.gz RRJPYRKQCGUJBG-JTQLQIEISA-N -1 3 380.235 3.160 20 30 GGEDHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186938860 565296767 /nfs/dbraw/zinc/29/67/67/565296767.db2.gz RUEJGTCTZQOHKC-UHFFFAOYSA-N -1 3 398.271 3.368 20 30 GGEDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186950759 565297509 /nfs/dbraw/zinc/29/75/09/565297509.db2.gz HFKMISJUNGEWFQ-UHFFFAOYSA-N -1 3 384.244 3.025 20 30 GGEDHM C[C@@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000373824720 565305551 /nfs/dbraw/zinc/30/55/51/565305551.db2.gz RLPUTCDUKGXNLY-AWEZNQCLSA-N -1 3 375.519 3.124 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000296299436 565311460 /nfs/dbraw/zinc/31/14/60/565311460.db2.gz NMSMJKNNAXEPBL-LLVKDONJSA-N -1 3 382.873 3.310 20 30 GGEDHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000273619087 565327422 /nfs/dbraw/zinc/32/74/22/565327422.db2.gz VNVYJRJJIHFXJA-RYUDHWBXSA-N -1 3 376.400 3.061 20 30 GGEDHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000273619088 565327433 /nfs/dbraw/zinc/32/74/33/565327433.db2.gz VNVYJRJJIHFXJA-VXGBXAGGSA-N -1 3 376.400 3.061 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163351791 565344192 /nfs/dbraw/zinc/34/41/92/565344192.db2.gz MUVOFYYCOCYPBD-DLBZAZTESA-N -1 3 376.865 3.410 20 30 GGEDHM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1Cl ZINC000164655427 565361234 /nfs/dbraw/zinc/36/12/34/565361234.db2.gz AQBPFLPKHIGFTO-KRWDZBQOSA-N -1 3 382.844 3.158 20 30 GGEDHM Cc1sc(C[N-]S(=O)(=O)CC2(C#N)CC2)nc1-c1ccc(Cl)cc1 ZINC000274230078 565363401 /nfs/dbraw/zinc/36/34/01/565363401.db2.gz UDSQUDOOMJCFBI-UHFFFAOYSA-N -1 3 381.910 3.495 20 30 GGEDHM N#Cc1cc(NCC[N-]S(=O)(=O)c2cccs2)ccc1C(F)(F)F ZINC000167239617 565377030 /nfs/dbraw/zinc/37/70/30/565377030.db2.gz SEYGYTJJZNCSAH-UHFFFAOYSA-N -1 3 375.397 3.029 20 30 GGEDHM C#CCN(C(=O)c1csc(=O)[n-]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000375828694 565407600 /nfs/dbraw/zinc/40/76/00/565407600.db2.gz GLMJJOJDBJJSDE-ZDUSSCGKSA-N -1 3 393.262 3.210 20 30 GGEDHM N#Cc1cccc(Cl)c1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000301158472 565468467 /nfs/dbraw/zinc/46/84/67/565468467.db2.gz BETZMKBVVODMGU-UHFFFAOYSA-N -1 3 381.910 3.220 20 30 GGEDHM N#Cc1ccc(Cl)cc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000301171361 565469307 /nfs/dbraw/zinc/46/93/07/565469307.db2.gz GOTMXISHLIQILO-UHFFFAOYSA-N -1 3 381.910 3.220 20 30 GGEDHM C=CC[C@@H](NCc1cc(Br)cc(Br)c1OC)C(=O)[O-] ZINC000277156997 565479422 /nfs/dbraw/zinc/47/94/22/565479422.db2.gz CYBZZXSSYHAORT-LLVKDONJSA-N -1 3 393.075 3.339 20 30 GGEDHM CC[N-]C(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cccc([O-])c1Cl ZINC000172391578 565482141 /nfs/dbraw/zinc/48/21/41/565482141.db2.gz OWUGMSKAPGXEPI-UHFFFAOYSA-O -1 3 375.901 3.370 20 30 GGEDHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000172591247 565494295 /nfs/dbraw/zinc/49/42/95/565494295.db2.gz BSKBARKKKRVQQP-UHFFFAOYSA-N -1 3 381.251 3.439 20 30 GGEDHM C=CCN1CCC([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000172659232 565496932 /nfs/dbraw/zinc/49/69/32/565496932.db2.gz HBQZWFVUCGPZBB-UHFFFAOYSA-N -1 3 382.835 3.288 20 30 GGEDHM N#Cc1cccc(Cl)c1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000301805449 565510351 /nfs/dbraw/zinc/51/03/51/565510351.db2.gz VLBMUZWGHDSENB-UHFFFAOYSA-N -1 3 376.290 3.317 20 30 GGEDHM N#Cc1cc(Cl)ccc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000301815771 565511508 /nfs/dbraw/zinc/51/15/08/565511508.db2.gz ZYPZIYQTVNBEIU-UHFFFAOYSA-N -1 3 376.290 3.317 20 30 GGEDHM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000390368408 565555793 /nfs/dbraw/zinc/55/57/93/565555793.db2.gz ZBAVZDBVCPNSPU-UHFFFAOYSA-N -1 3 378.881 3.485 20 30 GGEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)COCc1ccccc1 ZINC000390390314 565555883 /nfs/dbraw/zinc/55/58/83/565555883.db2.gz IHZUNNXAWHGMRK-CQSZACIVSA-N -1 3 378.881 3.343 20 30 GGEDHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000390398625 565556261 /nfs/dbraw/zinc/55/62/61/565556261.db2.gz SAQPEEDJFWXATQ-CQSZACIVSA-N -1 3 378.881 3.485 20 30 GGEDHM O=C(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N-]CC(F)(F)F ZINC000393690214 565569971 /nfs/dbraw/zinc/56/99/71/565569971.db2.gz LSQWDAYUJMCTCU-UHFFFAOYSA-N -1 3 382.226 3.492 20 30 GGEDHM C[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000311049260 565579309 /nfs/dbraw/zinc/57/93/09/565579309.db2.gz UMTWAWGFYFONSV-CQSZACIVSA-N -1 3 377.897 3.010 20 30 GGEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000173740316 565580195 /nfs/dbraw/zinc/58/01/95/565580195.db2.gz NETGZFALPNJKOK-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000173975754 565602846 /nfs/dbraw/zinc/60/28/46/565602846.db2.gz JEKAQUIOGVMMHZ-SECBINFHSA-N -1 3 386.296 3.011 20 30 GGEDHM N#CC(=C([O-])c1ccc(F)c(Br)c1)c1nnc2n1CCCCC2 ZINC000174008656 565606650 /nfs/dbraw/zinc/60/66/50/565606650.db2.gz UXBXWNAJEGDOQV-NSHDSACASA-N -1 3 377.217 3.396 20 30 GGEDHM N#Cc1ccc(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)cc1 ZINC000409544409 565623784 /nfs/dbraw/zinc/62/37/84/565623784.db2.gz ROVIQQQSBADVNX-UHFFFAOYSA-N -1 3 386.184 3.497 20 30 GGEDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)C12CCCCC2 ZINC000329280810 565661858 /nfs/dbraw/zinc/66/18/58/565661858.db2.gz MZZHZMXZRPPILI-OLZOCXBDSA-N -1 3 387.527 3.157 20 30 GGEDHM COc1ccc(Br)c(CS(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000410324303 565676507 /nfs/dbraw/zinc/67/65/07/565676507.db2.gz IIXJOHSELXFYIQ-UHFFFAOYSA-N -1 3 399.241 3.410 20 30 GGEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)cc1Cl ZINC000330188983 565696637 /nfs/dbraw/zinc/69/66/37/565696637.db2.gz UVVCWRWMBLDPSU-NSHDSACASA-N -1 3 390.864 3.467 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000192863407 565715652 /nfs/dbraw/zinc/71/56/52/565715652.db2.gz KQXNBUXHOKKFCS-ACJLOTCBSA-N -1 3 377.897 3.181 20 30 GGEDHM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000330797686 565724316 /nfs/dbraw/zinc/72/43/16/565724316.db2.gz HPQPXUYGAFFKIB-KCJUWKMLSA-N -1 3 397.216 3.438 20 30 GGEDHM CCN1CCCC[C@H]1CNC(=O)c1ccc(I)c([O-])c1 ZINC000330880740 565727185 /nfs/dbraw/zinc/72/71/85/565727185.db2.gz YOPRTZLNSHJTHB-LBPRGKRZSA-N -1 3 388.249 3.176 20 30 GGEDHM C[C@@]([N-]S(=O)(=O)CC1(C#N)CCCCC1)(C(N)=O)c1cccc(Cl)c1 ZINC000331065395 565738197 /nfs/dbraw/zinc/73/81/97/565738197.db2.gz PQUGJVPVYMOPNL-INIZCTEOSA-N -1 3 383.901 3.484 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccsc1Br ZINC000282498399 565782171 /nfs/dbraw/zinc/78/21/71/565782171.db2.gz RRFXDPXAXCAEPB-UHFFFAOYSA-N -1 3 394.294 3.349 20 30 GGEDHM N#C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCCCC1 ZINC000176596492 565787119 /nfs/dbraw/zinc/78/71/19/565787119.db2.gz ALBCAURSJZEASJ-MRXNPFEDSA-N -1 3 388.265 3.493 20 30 GGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194804235 565838059 /nfs/dbraw/zinc/83/80/59/565838059.db2.gz RCBIEJDPRRCJSS-VIFPVBQESA-N -1 3 385.205 3.438 20 30 GGEDHM Cc1cc(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)sc1Br ZINC000176947414 565817648 /nfs/dbraw/zinc/81/76/48/565817648.db2.gz OLVYEJDVGGLKTH-UHFFFAOYSA-N -1 3 389.271 3.308 20 30 GGEDHM N#Cc1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)c(I)c1 ZINC000413005063 565829428 /nfs/dbraw/zinc/82/94/28/565829428.db2.gz LMQANDZXTAZZCC-UHFFFAOYSA-N -1 3 393.184 3.115 20 30 GGEDHM CC(C)(C#N)c1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000194853620 565843134 /nfs/dbraw/zinc/84/31/34/565843134.db2.gz BKAIODIMDRCSAL-UHFFFAOYSA-N -1 3 397.909 3.120 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000284439804 565853909 /nfs/dbraw/zinc/85/39/09/565853909.db2.gz JWAKAFLSZRGFOJ-PBHICJAKSA-N -1 3 382.291 3.251 20 30 GGEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000177643780 565864000 /nfs/dbraw/zinc/86/40/00/565864000.db2.gz WUTNPMBSASMDQJ-UHFFFAOYSA-N -1 3 388.898 3.039 20 30 GGEDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000177669626 565866583 /nfs/dbraw/zinc/86/65/83/565866583.db2.gz NYBIIXRWIKKPSH-SECBINFHSA-N -1 3 375.397 3.382 20 30 GGEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000285098461 565888324 /nfs/dbraw/zinc/88/83/24/565888324.db2.gz NHQACGDHULYETA-INIZCTEOSA-N -1 3 388.461 3.140 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000178531388 565924867 /nfs/dbraw/zinc/92/48/67/565924867.db2.gz ASGBOHRCKFTUPH-FUHWJXTLSA-N -1 3 376.865 3.410 20 30 GGEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414447821 565934584 /nfs/dbraw/zinc/93/45/84/565934584.db2.gz XZROFJYRELTGBK-ZDUSSCGKSA-N -1 3 379.360 3.220 20 30 GGEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000179228361 565966849 /nfs/dbraw/zinc/96/68/49/565966849.db2.gz DJKZQMUJHAWTKR-QMMMGPOBSA-N -1 3 396.104 3.101 20 30 GGEDHM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)co1 ZINC000179545866 565987541 /nfs/dbraw/zinc/98/75/41/565987541.db2.gz QAUSXCPVEHKYOP-UHFFFAOYSA-N -1 3 381.479 3.013 20 30 GGEDHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180046943 566027531 /nfs/dbraw/zinc/02/75/31/566027531.db2.gz YIVLSTCXKCMNGG-UHFFFAOYSA-N -1 3 386.901 3.392 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(c3cccs3)CC2)c(Cl)c1 ZINC000180127674 566035343 /nfs/dbraw/zinc/03/53/43/566035343.db2.gz RPBCSSWCUCKGEB-UHFFFAOYSA-N -1 3 381.910 3.220 20 30 GGEDHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000180142605 566036663 /nfs/dbraw/zinc/03/66/63/566036663.db2.gz JSEBABXDGNKKOB-CJNGLKHVSA-N -1 3 378.881 3.045 20 30 GGEDHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(F)c(F)c1 ZINC000180185931 566042604 /nfs/dbraw/zinc/04/26/04/566042604.db2.gz RLZZWQLHYRPKFZ-OAHLLOKOSA-N -1 3 386.807 3.156 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1c(C)noc1C ZINC000416437190 566068611 /nfs/dbraw/zinc/06/86/11/566068611.db2.gz GMRCYKQYWWRWLC-CYBMUJFWSA-N -1 3 398.282 3.355 20 30 GGEDHM C[C@H](C#N)S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000416459640 566070550 /nfs/dbraw/zinc/07/05/50/566070550.db2.gz TXFCIIWTBLWOMQ-KCJUWKMLSA-N -1 3 385.205 3.274 20 30 GGEDHM C[C@@H](C#N)S(=O)(=O)[N-]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000416484249 566073871 /nfs/dbraw/zinc/07/38/71/566073871.db2.gz RTFBYNOGDDIYQK-KBXCAEBGSA-N -1 3 378.881 3.429 20 30 GGEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCC1 ZINC000416491609 566075012 /nfs/dbraw/zinc/07/50/12/566075012.db2.gz ZTWVHIUUABDVNC-UHFFFAOYSA-N -1 3 397.216 3.332 20 30 GGEDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416486760 566075437 /nfs/dbraw/zinc/07/54/37/566075437.db2.gz JNKVDWFXUFFJCE-UHFFFAOYSA-N -1 3 389.315 3.052 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CCCC2)s1 ZINC000416506632 566078788 /nfs/dbraw/zinc/07/87/88/566078788.db2.gz GXMDJSAQHLLNCR-QGZVFWFLSA-N -1 3 376.503 3.192 20 30 GGEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000288682265 566086782 /nfs/dbraw/zinc/08/67/82/566086782.db2.gz WZNXXUGFDHEZKK-LLVKDONJSA-N -1 3 383.720 3.026 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)cc1 ZINC000180759162 566086771 /nfs/dbraw/zinc/08/67/71/566086771.db2.gz CUPXHFQFDZNEOY-AWEZNQCLSA-N -1 3 376.306 3.418 20 30 GGEDHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000416582901 566090295 /nfs/dbraw/zinc/09/02/95/566090295.db2.gz FDRCXAUMAZCCIK-BONVTDFDSA-N -1 3 376.400 3.059 20 30 GGEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)CC(F)(F)F ZINC000416590382 566091837 /nfs/dbraw/zinc/09/18/37/566091837.db2.gz BQBZXFJXEQTEGK-MRVPVSSYSA-N -1 3 385.205 3.188 20 30 GGEDHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000416635888 566098674 /nfs/dbraw/zinc/09/86/74/566098674.db2.gz QMXAZJFGIRJBBV-HNNXBMFYSA-N -1 3 379.503 3.309 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ncsc2C(C)C)ccc1F ZINC000289009046 566101278 /nfs/dbraw/zinc/10/12/78/566101278.db2.gz ZVIURDCWCSZTOU-UHFFFAOYSA-N -1 3 383.470 3.122 20 30 GGEDHM COc1cc(Br)c(S(=O)(=O)[N-]CC2(C#N)CCC2)cc1Cl ZINC000416672240 566103008 /nfs/dbraw/zinc/10/30/08/566103008.db2.gz QLAJPAQHXGKHFD-UHFFFAOYSA-N -1 3 393.690 3.083 20 30 GGEDHM COc1cc(Br)cc(C=NNC(=S)Nc2ccccc2)c1[O-] ZINC000252476929 566114162 /nfs/dbraw/zinc/11/41/62/566114162.db2.gz DYJYZJWQAJGFTB-UHFFFAOYSA-N -1 3 380.267 3.484 20 30 GGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000416965476 566116285 /nfs/dbraw/zinc/11/62/85/566116285.db2.gz XPMGEYRYCXDJAG-HOYKHHGWSA-N -1 3 376.503 3.179 20 30 GGEDHM Cn1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)c2ccc(Cl)cc2)n1 ZINC000367192960 566189289 /nfs/dbraw/zinc/18/92/89/566189289.db2.gz DQFKLPIWVQMXAN-INIZCTEOSA-N -1 3 392.893 3.075 20 30 GGEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000290929880 566195903 /nfs/dbraw/zinc/19/59/03/566195903.db2.gz JRULARLXCRWDLK-NSHDSACASA-N -1 3 383.720 3.026 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)c(Cl)c1 ZINC000183405159 566246245 /nfs/dbraw/zinc/24/62/45/566246245.db2.gz ZSRJZGWUEZMMFW-OAHLLOKOSA-N -1 3 395.937 3.389 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c(Cl)c1 ZINC000183445648 566247159 /nfs/dbraw/zinc/24/71/59/566247159.db2.gz JUVJEVSCLKKQLJ-UHFFFAOYSA-N -1 3 379.850 3.407 20 30 GGEDHM CCCN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000575457178 566273508 /nfs/dbraw/zinc/27/35/08/566273508.db2.gz IZGCDPPIMGIADN-MRXNPFEDSA-N -1 3 381.885 3.166 20 30 GGEDHM CCCN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000575457177 566273754 /nfs/dbraw/zinc/27/37/54/566273754.db2.gz IZGCDPPIMGIADN-INIZCTEOSA-N -1 3 381.885 3.166 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462301895 566277899 /nfs/dbraw/zinc/27/78/99/566277899.db2.gz YELTVCJUJMHXFW-CYBMUJFWSA-N -1 3 384.791 3.292 20 30 GGEDHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C#N)cc1 ZINC000556303997 566283945 /nfs/dbraw/zinc/28/39/45/566283945.db2.gz CJDONNXFDINBMY-UHFFFAOYSA-N -1 3 394.294 3.183 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)o3)no2)ccc1F ZINC000445586653 566299402 /nfs/dbraw/zinc/29/94/02/566299402.db2.gz DWZBREKELUQLKZ-UHFFFAOYSA-N -1 3 383.788 3.253 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3cscc3C)no2)ccc1F ZINC000445635989 566302865 /nfs/dbraw/zinc/30/28/65/566302865.db2.gz VMOYWODZHAXPNT-UHFFFAOYSA-N -1 3 379.438 3.377 20 30 GGEDHM N#Cc1cc(F)c(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c(F)c1 ZINC000509513233 566313259 /nfs/dbraw/zinc/31/32/59/566313259.db2.gz ZPIHEJPFYZLJJA-UHFFFAOYSA-N -1 3 389.786 3.019 20 30 GGEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)OCC ZINC000420743886 566313586 /nfs/dbraw/zinc/31/35/86/566313586.db2.gz FNPVGRBFWOSMOY-LLVKDONJSA-N -1 3 397.827 3.118 20 30 GGEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000509598445 566319837 /nfs/dbraw/zinc/31/98/37/566319837.db2.gz GAEYVIREWBVSML-UHFFFAOYSA-N -1 3 382.825 3.292 20 30 GGEDHM CCOC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCCC1 ZINC000576403524 566343759 /nfs/dbraw/zinc/34/37/59/566343759.db2.gz VQHZRCIKYJNWBX-UHFFFAOYSA-N -1 3 376.400 3.205 20 30 GGEDHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1 ZINC000421164081 566351835 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GGEDHM Cc1cc(Br)cc(Cl)c1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000577152883 566409185 /nfs/dbraw/zinc/40/91/85/566409185.db2.gz MHDYDGMEGTVKSQ-UHFFFAOYSA-N -1 3 386.658 3.478 20 30 GGEDHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000510734221 566409174 /nfs/dbraw/zinc/40/91/74/566409174.db2.gz KOENXPZFCPHUQU-HYVNUMGLSA-N -1 3 376.503 3.249 20 30 GGEDHM Cc1ncc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000601499132 566409545 /nfs/dbraw/zinc/40/95/45/566409545.db2.gz MNSSPNMQDYGFPR-MRVPVSSYSA-N -1 3 375.397 3.382 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000557819145 566422312 /nfs/dbraw/zinc/42/23/12/566422312.db2.gz CCFXABPWZQVRAN-UHFFFAOYSA-N -1 3 395.253 3.427 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000557859277 566429996 /nfs/dbraw/zinc/42/99/96/566429996.db2.gz UZRUFXIIAKBOAX-OAHLLOKOSA-N -1 3 385.272 3.267 20 30 GGEDHM C=CCCC[N-]S(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000447874586 566442082 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CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000578876385 566561769 /nfs/dbraw/zinc/56/17/69/566561769.db2.gz SCAHYELIRHTKHN-OLZOCXBDSA-N -1 3 389.340 3.273 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000539222322 566569148 /nfs/dbraw/zinc/56/91/48/566569148.db2.gz OQSSKJCNNUOMTE-RDJZCZTQSA-N -1 3 380.828 3.159 20 30 GGEDHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)CCO2 ZINC000466545388 566584367 /nfs/dbraw/zinc/58/43/67/566584367.db2.gz ZXNRQGJPTTWWFX-HNNXBMFYSA-N -1 3 378.837 3.022 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486532900 566596744 /nfs/dbraw/zinc/59/67/44/566596744.db2.gz GDBVJJBAOVLEPC-UHFFFAOYSA-N -1 3 383.470 3.015 20 30 GGEDHM Cn1c(C(C#N)=C([O-])c2cn3ccc(Br)cc3n2)nc2ccccc21 ZINC000513736905 566621577 /nfs/dbraw/zinc/62/15/77/566621577.db2.gz OOMLGZXKIAFEOO-LBPRGKRZSA-N -1 3 394.232 3.474 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CCOCC1 ZINC000467780158 566665174 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N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC3CCCCC3)nc2)s1 ZINC000562461891 566792704 /nfs/dbraw/zinc/79/27/04/566792704.db2.gz PRFVQXFUIDUREN-UHFFFAOYSA-N -1 3 377.491 3.205 20 30 GGEDHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(Cl)c1 ZINC000427745874 566793081 /nfs/dbraw/zinc/79/30/81/566793081.db2.gz OTOIHAIUXDGTDY-UHFFFAOYSA-N -1 3 382.800 3.247 20 30 GGEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000427757378 566794743 /nfs/dbraw/zinc/79/47/43/566794743.db2.gz YPUWUEUNNBUINA-IINYFYTJSA-N -1 3 380.363 3.475 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cc1F ZINC000427785583 566798165 /nfs/dbraw/zinc/79/81/65/566798165.db2.gz DPAAFBSCSYOPET-UHFFFAOYSA-N -1 3 390.621 3.309 20 30 GGEDHM C[C@@H](CC#N)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469644140 566804653 /nfs/dbraw/zinc/80/46/53/566804653.db2.gz NHAAIHFZYAXAML-QMMMGPOBSA-N -1 3 382.645 3.318 20 30 GGEDHM C[C@@H](CC#N)N(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469644140 566804659 /nfs/dbraw/zinc/80/46/59/566804659.db2.gz NHAAIHFZYAXAML-QMMMGPOBSA-N -1 3 382.645 3.318 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2cccc(Cl)c2Cl)c(F)c1 ZINC000610083258 566805150 /nfs/dbraw/zinc/80/51/50/566805150.db2.gz QVJVDEQQRDOHBB-UHFFFAOYSA-N -1 3 389.235 3.361 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H](C#N)C1CCCCC1 ZINC000517155336 566809229 /nfs/dbraw/zinc/80/92/29/566809229.db2.gz HQFPIKHKCXOYLX-CQSZACIVSA-N -1 3 382.283 3.072 20 30 GGEDHM N#Cc1cnccc1[N-]C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000489804018 566811287 /nfs/dbraw/zinc/81/12/87/566811287.db2.gz VZAITHPHQILUDW-UHFFFAOYSA-N -1 3 387.168 3.184 20 30 GGEDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1 ZINC000451452152 566820110 /nfs/dbraw/zinc/82/01/10/566820110.db2.gz GUFLDHWCNZLZFQ-MNOVXSKESA-N -1 3 381.889 3.077 20 30 GGEDHM C=CCCCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000655634724 566825517 /nfs/dbraw/zinc/82/55/17/566825517.db2.gz IXZHJCDNPLIXEH-UHFFFAOYSA-N -1 3 392.518 3.002 20 30 GGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000582055265 566826565 /nfs/dbraw/zinc/82/65/65/566826565.db2.gz YNUCVNZFTZKRIQ-LBPRGKRZSA-N -1 3 397.747 3.416 20 30 GGEDHM C[C@@H](CCc1ccc(Br)cc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428247057 566827630 /nfs/dbraw/zinc/82/76/30/566827630.db2.gz IUTXHNDVHLHCPS-LBPRGKRZSA-N -1 3 394.294 3.015 20 30 GGEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCCOc1ccc(Cl)cc1Cl ZINC000428261647 566828167 /nfs/dbraw/zinc/82/81/67/566828167.db2.gz DGAQKOPMQSPPDM-UHFFFAOYSA-N -1 3 386.260 3.007 20 30 GGEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)c1 ZINC000610471813 566833036 /nfs/dbraw/zinc/83/30/36/566833036.db2.gz SMOPYCJVDLYKOG-NSHDSACASA-N -1 3 395.278 3.369 20 30 GGEDHM CCCCOc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1Cl ZINC000428395702 566837463 /nfs/dbraw/zinc/83/74/63/566837463.db2.gz AQDLDHMJEVYDFA-UHFFFAOYSA-N -1 3 379.869 3.264 20 30 GGEDHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000517641731 566838169 /nfs/dbraw/zinc/83/81/69/566838169.db2.gz MINOAVPMRQOCEI-UHFFFAOYSA-N -1 3 391.250 3.306 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cc(F)cc(Br)c1 ZINC000428423182 566843866 /nfs/dbraw/zinc/84/38/66/566843866.db2.gz OEOKMRNXRLSSOR-CYBMUJFWSA-N -1 3 398.257 3.284 20 30 GGEDHM CCSc1cccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000490411590 566846801 /nfs/dbraw/zinc/84/68/01/566846801.db2.gz IMOJBFIKAXFMDT-UHFFFAOYSA-N -1 3 377.447 3.057 20 30 GGEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000582301792 566848639 /nfs/dbraw/zinc/84/86/39/566848639.db2.gz WBTWRWRHTMSAAK-GFCCVEGCSA-N -1 3 379.707 3.460 20 30 GGEDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(C(F)(F)F)cc2C#N)s1 ZINC000610715183 566856634 /nfs/dbraw/zinc/85/66/34/566856634.db2.gz XNBVEBWVSDUFDE-UHFFFAOYSA-N -1 3 375.397 3.159 20 30 GGEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000610725422 566856861 /nfs/dbraw/zinc/85/68/61/566856861.db2.gz VDZOASHVSAQWPQ-ZDUSSCGKSA-N -1 3 375.288 3.064 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1OCCc2sccc21 ZINC000490525758 566860987 /nfs/dbraw/zinc/86/09/87/566860987.db2.gz DOAKDFHCYRDVFF-QFYYESIMSA-N -1 3 382.894 3.254 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1OCCc2sccc21 ZINC000490528196 566861359 /nfs/dbraw/zinc/86/13/59/566861359.db2.gz OTEBUZPBSJNEKC-QFYYESIMSA-N -1 3 382.894 3.254 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1OCCc2sccc21 ZINC000490528195 566861650 /nfs/dbraw/zinc/86/16/50/566861650.db2.gz OTEBUZPBSJNEKC-MGPLVRAMSA-N -1 3 382.894 3.254 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H]1OCCc2sccc21 ZINC000490540910 566862664 /nfs/dbraw/zinc/86/26/64/566862664.db2.gz CDABBYVERCFAFA-MGPLVRAMSA-N -1 3 382.894 3.254 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)c2cccc(C(F)(F)F)c2)s1 ZINC000451730194 566871313 /nfs/dbraw/zinc/87/13/13/566871313.db2.gz NMZZQRHXFOCTRD-ZDUSSCGKSA-N -1 3 390.408 3.041 20 30 GGEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 ZINC000518320406 566876869 /nfs/dbraw/zinc/87/68/69/566876869.db2.gz KDIVNCSQKZZJMT-HNNXBMFYSA-N -1 3 398.271 3.360 20 30 GGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1c(Cl)cccc1Cl ZINC000611017934 566883608 /nfs/dbraw/zinc/88/36/08/566883608.db2.gz FAUDGGSUWSLTIY-UHFFFAOYSA-N -1 3 386.216 3.252 20 30 GGEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1 ZINC000451820541 566887000 /nfs/dbraw/zinc/88/70/00/566887000.db2.gz DSDDYPMDZKSSCD-SNVBAGLBSA-N -1 3 379.226 3.034 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)cc1Br ZINC000451819894 566887790 /nfs/dbraw/zinc/88/77/90/566887790.db2.gz CBZADDDWURFJIM-JTQLQIEISA-N -1 3 379.226 3.034 20 30 GGEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000611114066 566890909 /nfs/dbraw/zinc/89/09/09/566890909.db2.gz YNQAHWMMEMJTEZ-LBPRGKRZSA-N -1 3 375.288 3.064 20 30 GGEDHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)cc1Cl ZINC000611113752 566891381 /nfs/dbraw/zinc/89/13/81/566891381.db2.gz IAGRWTLTJOPHLB-SECBINFHSA-N -1 3 395.706 3.328 20 30 GGEDHM COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000563531459 566893090 /nfs/dbraw/zinc/89/30/90/566893090.db2.gz CMRZDDYFRSUBBA-HOCLYGCPSA-N -1 3 376.865 3.302 20 30 GGEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000451897773 566902658 /nfs/dbraw/zinc/90/26/58/566902658.db2.gz IFQGFWSMKOYFDD-NEPJUHHUSA-N -1 3 380.691 3.114 20 30 GGEDHM C=CCn1c(=O)[n-]nc1SCc1nc(-c2cccc(Br)c2)no1 ZINC000470824563 566907800 /nfs/dbraw/zinc/90/78/00/566907800.db2.gz ZVZFSPNNMRJARL-UHFFFAOYSA-N -1 3 394.254 3.275 20 30 GGEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000518974064 566913337 /nfs/dbraw/zinc/91/33/37/566913337.db2.gz OLUUFJUWROCLQM-UHFFFAOYSA-N -1 3 382.825 3.292 20 30 GGEDHM Cn1c2ccc(Cl)cc2nc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000491834439 566916726 /nfs/dbraw/zinc/91/67/26/566916726.db2.gz YNWAHHVDXNKETD-UHFFFAOYSA-N -1 3 395.271 3.230 20 30 GGEDHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)C2)c1 ZINC000583065926 566918922 /nfs/dbraw/zinc/91/89/22/566918922.db2.gz OXYRLHDQADHQCQ-SHTZXODSSA-N -1 3 376.865 3.445 20 30 GGEDHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000452073265 566929646 /nfs/dbraw/zinc/92/96/46/566929646.db2.gz YQXDBCKIOJPNSU-ZIAGYGMSSA-N -1 3 376.400 3.203 20 30 GGEDHM C=CC[C@H](CC)NC(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000564010005 566936025 /nfs/dbraw/zinc/93/60/25/566936025.db2.gz AOQIVZJOBFLUCT-NSHDSACASA-N -1 3 398.834 3.108 20 30 GGEDHM C[C@@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC2CCCCC2)cc1 ZINC000519521688 566944283 /nfs/dbraw/zinc/94/42/83/566944283.db2.gz DQVISINHOHMRMF-AWEZNQCLSA-N -1 3 384.523 3.084 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544372323 566957806 /nfs/dbraw/zinc/95/78/06/566957806.db2.gz XVSDBOSQVRUMAO-QMTHXVAHSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544372322 566958137 /nfs/dbraw/zinc/95/81/37/566958137.db2.gz XVSDBOSQVRUMAO-IINYFYTJSA-N -1 3 394.718 3.362 20 30 GGEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1 ZINC000429913960 566966547 /nfs/dbraw/zinc/96/65/47/566966547.db2.gz LPBHCXRQJOHOGA-VIFPVBQESA-N -1 3 379.226 3.034 20 30 GGEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)OCCc2sccc21 ZINC000564498439 566980426 /nfs/dbraw/zinc/98/04/26/566980426.db2.gz USFZEANWPWOOCH-INIZCTEOSA-N -1 3 382.894 3.040 20 30 GGEDHM C=CCCC[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000564521747 566984282 /nfs/dbraw/zinc/98/42/82/566984282.db2.gz QZEORWJXMKZGNC-NSHDSACASA-N -1 3 379.309 3.133 20 30 GGEDHM CCOc1cccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000520209500 566990129 /nfs/dbraw/zinc/99/01/29/566990129.db2.gz ZNFIMAFXXQHYLY-UHFFFAOYSA-N -1 3 395.278 3.198 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1ccccc1OC(F)F ZINC000472210479 567009916 /nfs/dbraw/zinc/00/99/16/567009916.db2.gz WQOIOJOJZOHTIR-UHFFFAOYSA-N -1 3 386.807 3.334 20 30 GGEDHM C=CCC1([N-]S(=O)(=O)c2sc(C)cc2Br)CCOCC1 ZINC000657127054 567020449 /nfs/dbraw/zinc/02/04/49/567020449.db2.gz AXWOARHQVJWUOC-UHFFFAOYSA-N -1 3 380.329 3.223 20 30 GGEDHM C=CCC1([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCOCC1 ZINC000657129596 567020518 /nfs/dbraw/zinc/02/05/18/567020518.db2.gz UUXLRVUNIQCVQM-UHFFFAOYSA-N -1 3 383.363 3.128 20 30 GGEDHM C=CCC1([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)CCCC1 ZINC000657189801 567033382 /nfs/dbraw/zinc/03/33/82/567033382.db2.gz NTSZQRDSYXDNMH-UHFFFAOYSA-N -1 3 386.901 3.474 20 30 GGEDHM C=CCCCC[N-]S(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000472700484 567045808 /nfs/dbraw/zinc/04/58/08/567045808.db2.gz QQTNPYXFJPMOPQ-UHFFFAOYSA-N -1 3 392.315 3.109 20 30 GGEDHM C=CCCCCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000472715495 567047720 /nfs/dbraw/zinc/04/77/20/567047720.db2.gz SBLQZSFMGZPZBX-UHFFFAOYSA-N -1 3 379.309 3.134 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2cc(Br)cc([N+](=O)[O-])c2)nc(C)n1 ZINC000431130157 567058486 /nfs/dbraw/zinc/05/84/86/567058486.db2.gz WQKOKRBFKJBMLJ-CYBMUJFWSA-N -1 3 375.182 3.254 20 30 GGEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1 ZINC000521604561 567068561 /nfs/dbraw/zinc/06/85/61/567068561.db2.gz JEAKSOOWKRRIDH-CQSZACIVSA-N -1 3 398.271 3.360 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c1 ZINC000613931155 567072887 /nfs/dbraw/zinc/07/28/87/567072887.db2.gz YEOMBIDNVFWLRK-UHFFFAOYSA-N -1 3 378.734 3.247 20 30 GGEDHM N#C[C@@]1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CC12CCCC2 ZINC000565710944 567091319 /nfs/dbraw/zinc/09/13/19/567091319.db2.gz SXWROYLYKMYYLY-CYBMUJFWSA-N -1 3 391.191 3.042 20 30 GGEDHM C=CCc1ccccc1OC[C@@H](O)CNCc1ccc([O-])c(Br)c1 ZINC000521995670 567091685 /nfs/dbraw/zinc/09/16/85/567091685.db2.gz NOUNGSLCBYMPMM-INIZCTEOSA-N -1 3 392.293 3.413 20 30 GGEDHM CCOc1c(Br)cc(C([O-])=C(C#N)c2ccncn2)cc1OC ZINC000546152604 567109315 /nfs/dbraw/zinc/10/93/15/567109315.db2.gz CSLCJXXFURGNOK-LLVKDONJSA-N -1 3 376.210 3.136 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC000588114643 567115234 /nfs/dbraw/zinc/11/52/34/567115234.db2.gz GUALZNWKVZBLCW-HNNXBMFYSA-N -1 3 395.253 3.426 20 30 GGEDHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588121529 567115840 /nfs/dbraw/zinc/11/58/40/567115840.db2.gz XXEYYRKIQBOCJH-LLVKDONJSA-N -1 3 380.267 3.064 20 30 GGEDHM Cc1cc(S(=O)(=O)[N-]Cc2nc(-c3cccc(C#N)c3)c[nH]2)sc1Cl ZINC000473955423 567118911 /nfs/dbraw/zinc/11/89/11/567118911.db2.gz DSAPVMYDJMLOEE-UHFFFAOYSA-N -1 3 392.893 3.450 20 30 GGEDHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cccc(C#Cc2cccs2)c1 ZINC000588839988 567141530 /nfs/dbraw/zinc/14/15/30/567141530.db2.gz HUBKSKMBBGIDRA-UHFFFAOYSA-N -1 3 377.487 3.089 20 30 GGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000432261133 567142725 /nfs/dbraw/zinc/14/27/25/567142725.db2.gz YUOVCDMYQSYIFN-UHFFFAOYSA-N -1 3 380.279 3.477 20 30 GGEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000588906077 567143975 /nfs/dbraw/zinc/14/39/75/567143975.db2.gz INYKKQQJCBRAHE-UHFFFAOYSA-N -1 3 379.226 3.177 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)c(F)c1 ZINC000523568393 567161889 /nfs/dbraw/zinc/16/18/89/567161889.db2.gz ZKHDUVGSOOADBR-UHFFFAOYSA-N -1 3 381.841 3.439 20 30 GGEDHM C[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000566553392 567166609 /nfs/dbraw/zinc/16/66/09/567166609.db2.gz SEVCBDRWJSXDPD-CQSZACIVSA-N -1 3 377.897 3.010 20 30 GGEDHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000524150213 567185487 /nfs/dbraw/zinc/18/54/87/567185487.db2.gz WFXDFWZMWUXGRC-APPDUMDISA-N -1 3 382.844 3.405 20 30 GGEDHM C=CCCCCNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000474677510 567189958 /nfs/dbraw/zinc/18/99/58/567189958.db2.gz PRYYYOGFFQKAJV-UHFFFAOYSA-N -1 3 396.228 3.219 20 30 GGEDHM CC#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000498610850 567191592 /nfs/dbraw/zinc/19/15/92/567191592.db2.gz UYPPCBMPLFZWAN-UHFFFAOYSA-N -1 3 376.865 3.284 20 30 GGEDHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1 ZINC000566876784 567197433 /nfs/dbraw/zinc/19/74/33/567197433.db2.gz PJAPNFOVVRTXOE-UHFFFAOYSA-N -1 3 398.893 3.196 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccncc1 ZINC000567083227 567216819 /nfs/dbraw/zinc/21/68/19/567216819.db2.gz CDQNRDUMENRRAS-CQSZACIVSA-N -1 3 398.257 3.284 20 30 GGEDHM COc1ccc(NC(=O)CC#N)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000475280132 567237603 /nfs/dbraw/zinc/23/76/03/567237603.db2.gz NMSVMFMHQFCWEN-UHFFFAOYSA-N -1 3 379.825 3.002 20 30 GGEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1C ZINC000567461515 567247762 /nfs/dbraw/zinc/24/77/62/567247762.db2.gz BWPHZJWLQYKNFW-UHFFFAOYSA-N -1 3 378.837 3.416 20 30 GGEDHM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475570467 567257128 /nfs/dbraw/zinc/25/71/28/567257128.db2.gz SOGFYYHJPZHVHB-SNVBAGLBSA-N -1 3 386.807 3.236 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCOCCc2ccccc2)c1 ZINC000475576990 567258963 /nfs/dbraw/zinc/25/89/63/567258963.db2.gz WDRLORYTYVLYDW-UHFFFAOYSA-N -1 3 378.881 3.139 20 30 GGEDHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000475571884 567259288 /nfs/dbraw/zinc/25/92/88/567259288.db2.gz HFFGZVJXDFJPJM-UHFFFAOYSA-N -1 3 378.881 3.476 20 30 GGEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c1 ZINC000499653381 567263521 /nfs/dbraw/zinc/26/35/21/567263521.db2.gz LVCWWRHECHCOKN-JTQLQIEISA-N -1 3 393.253 3.425 20 30 GGEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000547951918 567268468 /nfs/dbraw/zinc/26/84/68/567268468.db2.gz YHXFYMAGSLLUGP-GJZGRUSLSA-N -1 3 386.901 3.258 20 30 GGEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000660143826 567270812 /nfs/dbraw/zinc/27/08/12/567270812.db2.gz ZMYJRISFBXXSTI-UHFFFAOYSA-N -1 3 386.583 3.476 20 30 GGEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(Br)c1 ZINC000475817005 567280557 /nfs/dbraw/zinc/28/05/57/567280557.db2.gz WAWLQHNMPHIKCN-UHFFFAOYSA-N -1 3 385.214 3.269 20 30 GGEDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433878728 567281302 /nfs/dbraw/zinc/28/13/02/567281302.db2.gz ISBLYYLFDBSHTP-SECBINFHSA-N -1 3 385.205 3.330 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)c1 ZINC000548120149 567281837 /nfs/dbraw/zinc/28/18/37/567281837.db2.gz XAKRSSQSIXEPLN-UHFFFAOYSA-N -1 3 376.865 3.196 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CC(OCc3ccccc3)C2)c1 ZINC000548121249 567282140 /nfs/dbraw/zinc/28/21/40/567282140.db2.gz MSFVXXDEICNLLF-UHFFFAOYSA-N -1 3 376.865 3.238 20 30 GGEDHM CC[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)Oc1ccccc1F ZINC000476312739 567315167 /nfs/dbraw/zinc/31/51/67/567315167.db2.gz SLQHMUFPIWYSCY-CYBMUJFWSA-N -1 3 382.844 3.487 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000476343616 567317579 /nfs/dbraw/zinc/31/75/79/567317579.db2.gz TYUHEDWRTYIAPE-CQSZACIVSA-N -1 3 396.299 3.422 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cncc(Br)c2)C2CC2)s1 ZINC000568303917 567318447 /nfs/dbraw/zinc/31/84/47/567318447.db2.gz PJHMGNAEUTWEDK-AWEZNQCLSA-N -1 3 398.307 3.207 20 30 GGEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000500493994 567326199 /nfs/dbraw/zinc/32/61/99/567326199.db2.gz ZDLPEKHTUQFZBJ-SNVBAGLBSA-N -1 3 385.205 3.294 20 30 GGEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592384366 567334857 /nfs/dbraw/zinc/33/48/57/567334857.db2.gz WJZOIGWUNVDMHY-LLVKDONJSA-N -1 3 388.820 3.162 20 30 GGEDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000548695923 567343371 /nfs/dbraw/zinc/34/33/71/567343371.db2.gz YIVWTVWICJKQDR-UHFFFAOYSA-N -1 3 379.869 3.083 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000568786784 567356538 /nfs/dbraw/zinc/35/65/38/567356538.db2.gz NHEJQFIXTIKQFN-HNNXBMFYSA-N -1 3 395.253 3.426 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2OC(F)F)s1 ZINC000435420947 567360620 /nfs/dbraw/zinc/36/06/20/567360620.db2.gz HBIXLIYZDFWXGC-UHFFFAOYSA-N -1 3 378.809 3.353 20 30 GGEDHM COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435422627 567360683 /nfs/dbraw/zinc/36/06/83/567360683.db2.gz MUSPBRXVOBVTPT-GFCCVEGCSA-N -1 3 382.532 3.335 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3F)cs2)s1 ZINC000435415641 567360778 /nfs/dbraw/zinc/36/07/78/567360778.db2.gz CNSGDSQSYZITSZ-UHFFFAOYSA-N -1 3 379.463 3.361 20 30 GGEDHM COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435422628 567360969 /nfs/dbraw/zinc/36/09/69/567360969.db2.gz MUSPBRXVOBVTPT-LBPRGKRZSA-N -1 3 382.532 3.335 20 30 GGEDHM COc1cccc(C2(C[N-]S(=O)(=O)c3ccc(C#N)s3)CCCC2)c1 ZINC000435429688 567362344 /nfs/dbraw/zinc/36/23/44/567362344.db2.gz YOGKXJPEPKXGKD-UHFFFAOYSA-N -1 3 376.503 3.419 20 30 GGEDHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000435430245 567362628 /nfs/dbraw/zinc/36/26/28/567362628.db2.gz ZNAJITWLMNSINM-DLBZAZTESA-N -1 3 376.865 3.445 20 30 GGEDHM C=CCN(CCc1ccco1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640295858 567364068 /nfs/dbraw/zinc/36/40/68/567364068.db2.gz FRHHJYZSGOXXDK-UHFFFAOYSA-N -1 3 376.766 3.376 20 30 GGEDHM Cc1ccc(Cl)cc1N1CC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435432297 567364202 /nfs/dbraw/zinc/36/42/02/567364202.db2.gz IHGCKAFKSOPLHD-CYBMUJFWSA-N -1 3 395.937 3.386 20 30 GGEDHM C[C@@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435432057 567364621 /nfs/dbraw/zinc/36/46/21/567364621.db2.gz LJKGWQWIXDQOEW-JTQLQIEISA-N -1 3 385.308 3.292 20 30 GGEDHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000435436603 567366830 /nfs/dbraw/zinc/36/68/30/567366830.db2.gz GJRMGNYGAYEFFN-WMLDXEAASA-N -1 3 376.865 3.445 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000435438233 567368605 /nfs/dbraw/zinc/36/86/05/567368605.db2.gz OSGAPNYVHUTKRK-LSDHHAIUSA-N -1 3 395.253 3.294 20 30 GGEDHM C[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435445227 567370011 /nfs/dbraw/zinc/37/00/11/567370011.db2.gz DJSVWNQSNVBBED-SNVBAGLBSA-N -1 3 385.308 3.292 20 30 GGEDHM Cc1cc(F)ccc1N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435446027 567370142 /nfs/dbraw/zinc/37/01/42/567370142.db2.gz IUYRIWHFFBKPLW-CQSZACIVSA-N -1 3 379.482 3.015 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000435444368 567370152 /nfs/dbraw/zinc/37/01/52/567370152.db2.gz WMLGRQLXPXXKAZ-HIFRSBDPSA-N -1 3 386.857 3.221 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000435584667 567375273 /nfs/dbraw/zinc/37/52/73/567375273.db2.gz NAXRTYKYBMQCFJ-BONVTDFDSA-N -1 3 380.293 3.262 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000435584671 567375369 /nfs/dbraw/zinc/37/53/69/567375369.db2.gz NAXRTYKYBMQCFJ-ZUZCIYMTSA-N -1 3 380.293 3.262 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000435578483 567375948 /nfs/dbraw/zinc/37/59/48/567375948.db2.gz IEKGGRRNGXYOHB-PWSUYJOCSA-N -1 3 380.329 3.079 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000435587915 567377247 /nfs/dbraw/zinc/37/72/47/567377247.db2.gz JNEZCNBDKPLBFQ-BONVTDFDSA-N -1 3 380.293 3.262 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000435596797 567378151 /nfs/dbraw/zinc/37/81/51/567378151.db2.gz ZKHFOTSOODWCPE-QMTHXVAHSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000435596799 567378712 /nfs/dbraw/zinc/37/87/12/567378712.db2.gz ZKHFOTSOODWCPE-YGRLFVJLSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000435598690 567378765 /nfs/dbraw/zinc/37/87/65/567378765.db2.gz PMHFAIIQQUUPNW-IINYFYTJSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000435604948 567379789 /nfs/dbraw/zinc/37/97/89/567379789.db2.gz GETNLUVIHMIYDJ-IINYFYTJSA-N -1 3 394.718 3.362 20 30 GGEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c(Cl)c1 ZINC000477240851 567382856 /nfs/dbraw/zinc/38/28/56/567382856.db2.gz AXPKQYRFZVHLGZ-UHFFFAOYSA-N -1 3 391.758 3.349 20 30 GGEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000618604338 567401970 /nfs/dbraw/zinc/40/19/70/567401970.db2.gz JUBLCFDLKHYNAO-SWLSCSKDSA-N -1 3 376.400 3.477 20 30 GGEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000618606658 567402275 /nfs/dbraw/zinc/40/22/75/567402275.db2.gz VAVJIQNVNHGDMK-GFCCVEGCSA-N -1 3 379.707 3.460 20 30 GGEDHM N#C[C@@H]([N-]S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000618606448 567402605 /nfs/dbraw/zinc/40/26/05/567402605.db2.gz DOWGUAXUNPUSQP-OAHLLOKOSA-N -1 3 376.400 3.477 20 30 GGEDHM C=CCC[C@@H](CO)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000456771914 567416986 /nfs/dbraw/zinc/41/69/86/567416986.db2.gz WFIUVYLSNBIPBZ-JTQLQIEISA-N -1 3 399.672 3.001 20 30 GGEDHM C=CCC[C@@H](CO)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000456771914 567416992 /nfs/dbraw/zinc/41/69/92/567416992.db2.gz WFIUVYLSNBIPBZ-JTQLQIEISA-N -1 3 399.672 3.001 20 30 GGEDHM COc1cc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1Cl ZINC000549948449 567420812 /nfs/dbraw/zinc/42/08/12/567420812.db2.gz WCDGOWLMITXDMN-UHFFFAOYSA-N -1 3 385.272 3.395 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(F)c(I)c2)nc(C)n1 ZINC000477844170 567422791 /nfs/dbraw/zinc/42/27/91/567422791.db2.gz AZPUEDINEMYPEZ-LLVKDONJSA-N -1 3 395.175 3.327 20 30 GGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c1 ZINC000619461546 567455915 /nfs/dbraw/zinc/45/59/15/567455915.db2.gz SXPYCSBHYZWRLS-UHFFFAOYSA-N -1 3 378.837 3.368 20 30 GGEDHM Cc1cc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)ccc1C#N ZINC000550793566 567461548 /nfs/dbraw/zinc/46/15/48/567461548.db2.gz RQTMRUNBCOPCHK-QHCPKHFHSA-N -1 3 382.894 3.199 20 30 GGEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 ZINC000619547600 567463311 /nfs/dbraw/zinc/46/33/11/567463311.db2.gz PXOGSDWERLKKJT-ZDUSSCGKSA-N -1 3 390.408 3.305 20 30 GGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000619597498 567468476 /nfs/dbraw/zinc/46/84/76/567468476.db2.gz HAXVGPSZGUKKQP-UHFFFAOYSA-N -1 3 399.697 3.495 20 30 GGEDHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000503208865 567473837 /nfs/dbraw/zinc/47/38/37/567473837.db2.gz QUYUNSBJRQPLGJ-UHFFFAOYSA-N -1 3 379.869 3.262 20 30 GGEDHM CCCCCn1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c(C)n1 ZINC000503222228 567475246 /nfs/dbraw/zinc/47/52/46/567475246.db2.gz LFYURXCJCGNXLN-UHFFFAOYSA-N -1 3 380.901 3.385 20 30 GGEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000503447401 567485824 /nfs/dbraw/zinc/48/58/24/567485824.db2.gz MIGBMWMXTALWFD-HNNXBMFYSA-N -1 3 384.885 3.002 20 30 GGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCCCc1ccc(Cl)s1 ZINC000551200021 567487071 /nfs/dbraw/zinc/48/70/71/567487071.db2.gz QYIPCENMFWXHNU-UHFFFAOYSA-N -1 3 399.881 3.483 20 30 GGEDHM CN(CCCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000503463151 567487136 /nfs/dbraw/zinc/48/71/36/567487136.db2.gz UWAFSPCNPMUNRB-UHFFFAOYSA-N -1 3 377.897 3.407 20 30 GGEDHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503474622 567487405 /nfs/dbraw/zinc/48/74/05/567487405.db2.gz DEEBDQPZPNASIL-UHFFFAOYSA-N -1 3 379.869 3.264 20 30 GGEDHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503460805 567487510 /nfs/dbraw/zinc/48/75/10/567487510.db2.gz QROFVEILLXIUOI-ROUUACIJSA-N -1 3 376.865 3.229 20 30 GGEDHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503460791 567487585 /nfs/dbraw/zinc/48/75/85/567487585.db2.gz QROFVEILLXIUOI-MSOLQXFVSA-N -1 3 376.865 3.229 20 30 GGEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1Cl ZINC000503494037 567488433 /nfs/dbraw/zinc/48/84/33/567488433.db2.gz YAWBTYZQWQLCJB-MRXNPFEDSA-N -1 3 398.315 3.446 20 30 GGEDHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C#N)c1Br)C1CCCC1 ZINC000594697692 567500491 /nfs/dbraw/zinc/50/04/91/567500491.db2.gz PWAXEIBGOMNNTN-AWEZNQCLSA-N -1 3 387.299 3.268 20 30 GGEDHM CCCCCn1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C)n1 ZINC000503706857 567502343 /nfs/dbraw/zinc/50/23/43/567502343.db2.gz GBQOFVPIXUDVQT-UHFFFAOYSA-N -1 3 380.901 3.385 20 30 GGEDHM N#CC1(c2ccccn2)CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000529272243 567502512 /nfs/dbraw/zinc/50/25/12/567502512.db2.gz OCPMPKNUYYRGIA-UHFFFAOYSA-N -1 3 386.249 3.247 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000594721367 567503028 /nfs/dbraw/zinc/50/30/28/567503028.db2.gz RVJBRDDKYYVYKK-CYBMUJFWSA-N -1 3 389.315 3.454 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C#N)C(C)C ZINC000594723326 567503893 /nfs/dbraw/zinc/50/38/93/567503893.db2.gz LSGHSNORIOMBQC-GFCCVEGCSA-N -1 3 375.288 3.064 20 30 GGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000479128062 567505714 /nfs/dbraw/zinc/50/57/14/567505714.db2.gz JAQBFACLMGEVMW-YGRLFVJLSA-N -1 3 375.263 3.339 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)COCC(F)(F)F ZINC000594752206 567506660 /nfs/dbraw/zinc/50/66/60/567506660.db2.gz MZQILLMOANLJRO-SECBINFHSA-N -1 3 392.424 3.327 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCCC#N ZINC000594760860 567509093 /nfs/dbraw/zinc/50/90/93/567509093.db2.gz UYUAKRHNFWCZSP-UHFFFAOYSA-N -1 3 375.288 3.210 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000594765240 567509105 /nfs/dbraw/zinc/50/91/05/567509105.db2.gz VUPZRLHJFATJFT-AWEZNQCLSA-N -1 3 376.503 3.461 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@H](O)C(F)(F)F ZINC000594766626 567509176 /nfs/dbraw/zinc/50/91/76/567509176.db2.gz OYFZJTANZIALPA-YPMHNXCESA-N -1 3 392.424 3.062 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000594761016 567509355 /nfs/dbraw/zinc/50/93/55/567509355.db2.gz WIJGYPQMRAINGM-APHBMKBZSA-N -1 3 376.503 3.173 20 30 GGEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000479168810 567511607 /nfs/dbraw/zinc/51/16/07/567511607.db2.gz ZDJZBALGVSMUQQ-MEDUHNTESA-N -1 3 399.310 3.135 20 30 GGEDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594776870 567511768 /nfs/dbraw/zinc/51/17/68/567511768.db2.gz MGKRBCZLTGIVEN-UHFFFAOYSA-N -1 3 375.475 3.419 20 30 GGEDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)o1 ZINC000594776050 567512129 /nfs/dbraw/zinc/51/21/29/567512129.db2.gz OQXGZOMAODBIAT-UHFFFAOYSA-N -1 3 375.475 3.419 20 30 GGEDHM C=CCCSCC[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000594810260 567516291 /nfs/dbraw/zinc/51/62/91/567516291.db2.gz VFYDCJMMDBAJLI-UHFFFAOYSA-N -1 3 380.329 3.045 20 30 GGEDHM N#Cc1csc(C(=O)[N-]c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2F)c1 ZINC000438317808 567525702 /nfs/dbraw/zinc/52/57/02/567525702.db2.gz DGPRSAZEHWLOBK-UHFFFAOYSA-N -1 3 399.856 3.105 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2Cl)CCCCC1 ZINC000595371170 567559350 /nfs/dbraw/zinc/55/93/50/567559350.db2.gz SNQDBBAFISYHQW-CQSZACIVSA-N -1 3 391.320 3.420 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Br)c2)s1 ZINC000571481363 567566701 /nfs/dbraw/zinc/56/67/01/567566701.db2.gz PPRCLODCSDYSSK-QWHCGFSZSA-N -1 3 383.292 3.217 20 30 GGEDHM N#CCCCCNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000505531702 567582096 /nfs/dbraw/zinc/58/20/96/567582096.db2.gz FLMKVXKNNBQWCR-UHFFFAOYSA-N -1 3 383.539 3.173 20 30 GGEDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000552635679 567599454 /nfs/dbraw/zinc/59/94/54/567599454.db2.gz MJFHNJYRBMHISW-DIFFPNOSSA-N -1 3 382.844 3.405 20 30 GGEDHM N#C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@]12C(=O)Nc1ccccc12 ZINC000459348557 567616820 /nfs/dbraw/zinc/61/68/20/567616820.db2.gz DPEIHLVKMWBLNA-YJYMSZOUSA-N -1 3 398.260 3.000 20 30 GGEDHM CCOc1cc(CN2CCC(C#N)(COC)CC2)cc(Br)c1[O-] ZINC000459532759 567633583 /nfs/dbraw/zinc/63/35/83/567633583.db2.gz XFAXGVLZZQJCMR-UHFFFAOYSA-N -1 3 383.286 3.306 20 30 GGEDHM Cc1ccc(C#N)cc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000572417268 567638575 /nfs/dbraw/zinc/63/85/75/567638575.db2.gz CZRIXHPGKODUST-UHFFFAOYSA-N -1 3 398.271 3.091 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(Cl)cc23)c(F)c1 ZINC000531144270 567643224 /nfs/dbraw/zinc/64/32/24/567643224.db2.gz YTVUISBGGLROQU-UHFFFAOYSA-N -1 3 377.828 3.353 20 30 GGEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000531367786 567655122 /nfs/dbraw/zinc/65/51/22/567655122.db2.gz LBNXUONQEMWHCK-SECBINFHSA-N -1 3 386.296 3.011 20 30 GGEDHM CCO[C@@H](CC[N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)C ZINC000553487752 567658157 /nfs/dbraw/zinc/65/81/57/567658157.db2.gz GMMRMAQHQKOBBP-AWEZNQCLSA-N -1 3 389.315 3.050 20 30 GGEDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553503114 567659180 /nfs/dbraw/zinc/65/91/80/567659180.db2.gz MKLIOCBYOWHKLA-JTQLQIEISA-N -1 3 377.329 3.131 20 30 GGEDHM C[C@@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccc(C#N)c1 ZINC000507221765 567668373 /nfs/dbraw/zinc/66/83/73/567668373.db2.gz OAODANGFUVEXHX-GFCCVEGCSA-N -1 3 398.315 3.494 20 30 GGEDHM C[C@@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000507243331 567669531 /nfs/dbraw/zinc/66/95/31/567669531.db2.gz LPIMLDISHHCHDJ-GFCCVEGCSA-N -1 3 398.315 3.494 20 30 GGEDHM N#Cc1cccc(CS(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000481487759 567681658 /nfs/dbraw/zinc/68/16/58/567681658.db2.gz CMOJXOQVIJLVLR-HNNXBMFYSA-N -1 3 385.272 3.018 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481506230 567683447 /nfs/dbraw/zinc/68/34/47/567683447.db2.gz IQGJQJSULYBYLG-ZDUSSCGKSA-N -1 3 389.235 3.016 20 30 GGEDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)CO2 ZINC000553869991 567693328 /nfs/dbraw/zinc/69/33/28/567693328.db2.gz SOOYYZUGYQMDDD-AWEZNQCLSA-N -1 3 393.262 3.041 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000553877753 567694805 /nfs/dbraw/zinc/69/48/05/567694805.db2.gz ZSNUYNKOHXAVGH-UHFFFAOYSA-N -1 3 393.253 3.425 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000553894858 567697563 /nfs/dbraw/zinc/69/75/63/567697563.db2.gz GXUFQCPIIDCDGQ-SECBINFHSA-N -1 3 379.226 3.034 20 30 GGEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000533090487 567750781 /nfs/dbraw/zinc/75/07/81/567750781.db2.gz LSCJFALOMMFRRF-QMMMGPOBSA-N -1 3 381.679 3.082 20 30 GGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCc2ccccc2Br)C1 ZINC000461114085 567721141 /nfs/dbraw/zinc/72/11/41/567721141.db2.gz RIMFNOKWZBHJEQ-CJNGLKHVSA-N -1 3 385.327 3.383 20 30 GGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCc2ccccc2Br)C1 ZINC000461114103 567721240 /nfs/dbraw/zinc/72/12/40/567721240.db2.gz RIMFNOKWZBHJEQ-CZUORRHYSA-N -1 3 385.327 3.383 20 30 GGEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000508073991 567725240 /nfs/dbraw/zinc/72/52/40/567725240.db2.gz MXTNBJVAUZNEOF-LLVKDONJSA-N -1 3 383.720 3.026 20 30 GGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000508071477 567725356 /nfs/dbraw/zinc/72/53/56/567725356.db2.gz YHFHIKKAVRITGD-LLVKDONJSA-N -1 3 383.358 3.133 20 30 GGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000508071478 567725712 /nfs/dbraw/zinc/72/57/12/567725712.db2.gz YHFHIKKAVRITGD-NSHDSACASA-N -1 3 383.358 3.133 20 30 GGEDHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443036061 567725932 /nfs/dbraw/zinc/72/59/32/567725932.db2.gz ILXLTWNTRBOBLL-UHFFFAOYSA-N -1 3 376.865 3.230 20 30 GGEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000508074304 567726829 /nfs/dbraw/zinc/72/68/29/567726829.db2.gz OSXBZPRIMKOBTQ-MRXNPFEDSA-N -1 3 388.942 3.442 20 30 GGEDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000443041757 567727884 /nfs/dbraw/zinc/72/78/84/567727884.db2.gz XZNFJRNHICBOKF-OAHLLOKOSA-N -1 3 381.885 3.166 20 30 GGEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)N(C)Cc1ccccc1 ZINC000443075603 567728733 /nfs/dbraw/zinc/72/87/33/567728733.db2.gz BKCLNYVZDGISDA-CQSZACIVSA-N -1 3 377.897 3.010 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCCOc1ccc(F)cc1 ZINC000443093250 567731083 /nfs/dbraw/zinc/73/10/83/567731083.db2.gz YGCVNZPBGQCMMY-UHFFFAOYSA-N -1 3 382.844 3.488 20 30 GGEDHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n1 ZINC000443091261 567731420 /nfs/dbraw/zinc/73/14/20/567731420.db2.gz ZSDMKLKQODZISD-UHFFFAOYSA-N -1 3 383.926 3.487 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](c1cccs1)N1CCCC1 ZINC000443107774 567732817 /nfs/dbraw/zinc/73/28/17/567732817.db2.gz ZJKHTHFMXDBGNZ-OAHLLOKOSA-N -1 3 395.937 3.389 20 30 GGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508129347 567733461 /nfs/dbraw/zinc/73/34/61/567733461.db2.gz UNRHCFQNGVRFON-UHFFFAOYSA-N -1 3 386.658 3.478 20 30 GGEDHM C[C@@H](C#N)N(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000598139262 567741977 /nfs/dbraw/zinc/74/19/77/567741977.db2.gz ZZWBFZQMCLFEGK-QMMMGPOBSA-N -1 3 394.656 3.461 20 30 GGEDHM C[C@@H](C#N)N(C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])C1CC1 ZINC000598139262 567741978 /nfs/dbraw/zinc/74/19/78/567741978.db2.gz ZZWBFZQMCLFEGK-QMMMGPOBSA-N -1 3 394.656 3.461 20 30 GGEDHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443242087 567743588 /nfs/dbraw/zinc/74/35/88/567743588.db2.gz BNRQOXNZNMKGFB-ZWKOTPCHSA-N -1 3 376.865 3.229 20 30 GGEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N=c1[nH][n-]cc1Br ZINC000573976812 567748852 /nfs/dbraw/zinc/74/88/52/567748852.db2.gz ICDSBIJOGBNJTC-UHFFFAOYSA-N -1 3 390.159 3.430 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1c[nH]c2cc(F)ccc12 ZINC000443343818 567749672 /nfs/dbraw/zinc/74/96/72/567749672.db2.gz JXXJKGAETDMVJG-UHFFFAOYSA-N -1 3 377.828 3.353 20 30 GGEDHM CSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000461884470 567752347 /nfs/dbraw/zinc/75/23/47/567752347.db2.gz LYPDYCWQZSDUSH-LLVKDONJSA-N -1 3 377.447 3.228 20 30 GGEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000533095829 567752497 /nfs/dbraw/zinc/75/24/97/567752497.db2.gz WZXMMEUIHSKTJA-MRXNPFEDSA-N -1 3 398.315 3.446 20 30 GGEDHM C=C(C)CCc1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000508618848 567758496 /nfs/dbraw/zinc/75/84/96/567758496.db2.gz LBBIFKZXGOSICI-UHFFFAOYSA-N -1 3 390.292 3.406 20 30 GGEDHM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000443497985 567762347 /nfs/dbraw/zinc/76/23/47/567762347.db2.gz FFZAXCLMFPZINB-CZUORRHYSA-N -1 3 378.881 3.045 20 30 GGEDHM COCCS(=O)(=O)[N-]c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000647134965 567764953 /nfs/dbraw/zinc/76/49/53/567764953.db2.gz SZMHRPNQUHQNGZ-UHFFFAOYSA-N -1 3 383.285 3.364 20 30 GGEDHM N#Cc1ccc(CS(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000574431851 567777684 /nfs/dbraw/zinc/77/76/84/567777684.db2.gz SQPHMYKSABAISZ-HNNXBMFYSA-N -1 3 385.272 3.018 20 30 GGEDHM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444064405 567787803 /nfs/dbraw/zinc/78/78/03/567787803.db2.gz IIMNLTAHFLIJGO-SSDOTTSWSA-N -1 3 383.285 3.090 20 30 GGEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cc(Br)co3)sc2C1 ZINC000598891172 567798034 /nfs/dbraw/zinc/79/80/34/567798034.db2.gz XSAIXOJLQKHYHH-UHFFFAOYSA-N -1 3 394.250 3.132 20 30 GGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000444214798 567798033 /nfs/dbraw/zinc/79/80/33/567798033.db2.gz RZBJNCLPLCRMAR-NSHDSACASA-N -1 3 392.315 3.489 20 30 GGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000444214796 567798143 /nfs/dbraw/zinc/79/81/43/567798143.db2.gz RZBJNCLPLCRMAR-LLVKDONJSA-N -1 3 392.315 3.489 20 30 GGEDHM Cc1c([O-])ccc2c(CN3CCCN(c4ccccc4C#N)CC3)cc(=O)oc12 ZINC000048375126 570249203 /nfs/dbraw/zinc/24/92/03/570249203.db2.gz KGWYFECYXJPEIW-UHFFFAOYSA-N -1 3 389.455 3.391 20 30 GGEDHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000248756342 570295992 /nfs/dbraw/zinc/29/59/92/570295992.db2.gz JUWCXBLNQDROQH-COXVUDFISA-N -1 3 377.448 3.089 20 30 GGEDHM Cc1ccc(C2=CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)cc1 ZINC000014226666 570297172 /nfs/dbraw/zinc/29/71/72/570297172.db2.gz GUIHUGSWXIGYDA-UHFFFAOYSA-N -1 3 375.472 3.420 20 30 GGEDHM C=CCN1C(=S)N=NC1c1sc([N-]C(=O)c2cc(C3CC3)no2)nc1C ZINC000225665255 570457933 /nfs/dbraw/zinc/45/79/33/570457933.db2.gz NDWPMCPVURMBOS-UHFFFAOYSA-N -1 3 388.478 3.302 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012539501 570838577 /nfs/dbraw/zinc/83/85/77/570838577.db2.gz NNAVQOXHXHDTRG-LJQANCHMSA-N -1 3 389.459 3.036 20 30 GGEDHM N#C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000737676078 598825937 /nfs/dbraw/zinc/82/59/37/598825937.db2.gz UPSYVZKIUZXTEE-JTQLQIEISA-N -1 3 379.232 3.230 20 30 GGEDHM N#C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000737676078 598825939 /nfs/dbraw/zinc/82/59/39/598825939.db2.gz UPSYVZKIUZXTEE-JTQLQIEISA-N -1 3 379.232 3.230 20 30 GGEDHM N#Cc1ccc(-c2cccc(CNC(=O)c3cccc(-c4nnn[n-]4)c3)c2)s1 ZINC000737707967 598834209 /nfs/dbraw/zinc/83/42/09/598834209.db2.gz AVAFSHVZFRZQRB-UHFFFAOYSA-N -1 3 386.440 3.397 20 30 GGEDHM N#Cc1ccc(-c2cccc(CNC(=O)c3cccc(-c4nn[n-]n4)c3)c2)s1 ZINC000737707967 598834211 /nfs/dbraw/zinc/83/42/11/598834211.db2.gz AVAFSHVZFRZQRB-UHFFFAOYSA-N -1 3 386.440 3.397 20 30 GGEDHM C=CCOc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735437421 598887357 /nfs/dbraw/zinc/88/73/57/598887357.db2.gz HULGNBJPMMELLJ-CQSZACIVSA-N -1 3 380.404 3.056 20 30 GGEDHM C=CCOc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735437421 598887359 /nfs/dbraw/zinc/88/73/59/598887359.db2.gz HULGNBJPMMELLJ-CQSZACIVSA-N -1 3 380.404 3.056 20 30 GGEDHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736166969 598915197 /nfs/dbraw/zinc/91/51/97/598915197.db2.gz BLCSDDNNFPUOHS-CYBMUJFWSA-N -1 3 390.447 3.442 20 30 GGEDHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736166969 598915198 /nfs/dbraw/zinc/91/51/98/598915198.db2.gz BLCSDDNNFPUOHS-CYBMUJFWSA-N -1 3 390.447 3.442 20 30 GGEDHM CCN(c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000736565525 598918466 /nfs/dbraw/zinc/91/84/66/598918466.db2.gz ZOBGAFQTHWEWHW-UHFFFAOYSA-N -1 3 375.436 3.225 20 30 GGEDHM CCN(c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1)C(C)C ZINC000736565525 598918468 /nfs/dbraw/zinc/91/84/68/598918468.db2.gz ZOBGAFQTHWEWHW-UHFFFAOYSA-N -1 3 375.436 3.225 20 30 GGEDHM N#Cc1cc(NC(=O)COc2cc(Cl)ccc2Cl)ccc1-c1nnn[n-]1 ZINC000737709469 598919271 /nfs/dbraw/zinc/91/92/71/598919271.db2.gz OLGPISKWONSMDZ-UHFFFAOYSA-N -1 3 389.202 3.063 20 30 GGEDHM N#Cc1cc(NC(=O)COc2cc(Cl)ccc2Cl)ccc1-c1nn[n-]n1 ZINC000737709469 598919272 /nfs/dbraw/zinc/91/92/72/598919272.db2.gz OLGPISKWONSMDZ-UHFFFAOYSA-N -1 3 389.202 3.063 20 30 GGEDHM Cc1nc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)oc1-c1ccccc1 ZINC000737472209 598928844 /nfs/dbraw/zinc/92/88/44/598928844.db2.gz RQURVXFTIXRFBB-UHFFFAOYSA-N -1 3 399.414 3.273 20 30 GGEDHM Cc1nc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)oc1-c1ccccc1 ZINC000737472209 598928845 /nfs/dbraw/zinc/92/88/45/598928845.db2.gz RQURVXFTIXRFBB-UHFFFAOYSA-N -1 3 399.414 3.273 20 30 GGEDHM COc1cc(OC)c(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821724702 607253389 /nfs/dbraw/zinc/25/33/89/607253389.db2.gz WTTFHROTLWIBIG-UHFFFAOYSA-N -1 3 386.843 3.051 20 30 GGEDHM COc1cc(OC)c(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821724702 607253390 /nfs/dbraw/zinc/25/33/90/607253390.db2.gz WTTFHROTLWIBIG-UHFFFAOYSA-N -1 3 386.843 3.051 20 30 GGEDHM N#C[C@@H](C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)c1ccccn1 ZINC000737673062 598969162 /nfs/dbraw/zinc/96/91/62/598969162.db2.gz NAGGBYDRIDETRJ-GOSISDBHSA-N -1 3 396.410 3.331 20 30 GGEDHM N#C[C@@H](C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)c1ccccn1 ZINC000737673062 598969164 /nfs/dbraw/zinc/96/91/64/598969164.db2.gz NAGGBYDRIDETRJ-GOSISDBHSA-N -1 3 396.410 3.331 20 30 GGEDHM COc1cc(-c2nnn[n-]2)ccc1OCCON=Cc1ccccc1OC(C)C ZINC000737033231 598978237 /nfs/dbraw/zinc/97/82/37/598978237.db2.gz UNBNOKOMDBXJHC-UHFFFAOYSA-N -1 3 397.435 3.092 20 30 GGEDHM COc1cc(-c2nn[n-]n2)ccc1OCCON=Cc1ccccc1OC(C)C ZINC000737033231 598978239 /nfs/dbraw/zinc/97/82/39/598978239.db2.gz UNBNOKOMDBXJHC-UHFFFAOYSA-N -1 3 397.435 3.092 20 30 GGEDHM N#Cc1ccc(C(F)(F)F)nc1N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737711785 599050806 /nfs/dbraw/zinc/05/08/06/599050806.db2.gz KXYBKUBCCXUCSW-UHFFFAOYSA-N -1 3 385.353 3.321 20 30 GGEDHM N#Cc1ccc(C(F)(F)F)nc1N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737711785 599050809 /nfs/dbraw/zinc/05/08/09/599050809.db2.gz KXYBKUBCCXUCSW-UHFFFAOYSA-N -1 3 385.353 3.321 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000735419541 599071742 /nfs/dbraw/zinc/07/17/42/599071742.db2.gz UXKNKCWGLMRZOO-DLBZAZTESA-N -1 3 395.413 3.463 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000735419541 599071744 /nfs/dbraw/zinc/07/17/44/599071744.db2.gz UXKNKCWGLMRZOO-DLBZAZTESA-N -1 3 395.413 3.463 20 30 GGEDHM N#Cc1ccc(F)c(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000822829759 599073704 /nfs/dbraw/zinc/07/37/04/599073704.db2.gz HUIVBOSWTPVURP-UHFFFAOYSA-N -1 3 381.321 3.316 20 30 GGEDHM N#Cc1ccc(F)c(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1 ZINC000822829759 599073707 /nfs/dbraw/zinc/07/37/07/599073707.db2.gz HUIVBOSWTPVURP-UHFFFAOYSA-N -1 3 381.321 3.316 20 30 GGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cnc2ccc(Cl)cn12 ZINC000823504492 599114858 /nfs/dbraw/zinc/11/48/58/599114858.db2.gz QWWDARMYFHCBMD-WQLSENKSSA-N -1 3 376.807 3.380 20 30 GGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cnc2ccc(Cl)cn12 ZINC000823504492 599114860 /nfs/dbraw/zinc/11/48/60/599114860.db2.gz QWWDARMYFHCBMD-WQLSENKSSA-N -1 3 376.807 3.380 20 30 GGEDHM Cc1c(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015270 599111219 /nfs/dbraw/zinc/11/12/19/599111219.db2.gz GQNNKGXERXMRTI-KTKRTIGZSA-N -1 3 385.431 3.209 20 30 GGEDHM Cc1c(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015270 599111223 /nfs/dbraw/zinc/11/12/23/599111223.db2.gz GQNNKGXERXMRTI-KTKRTIGZSA-N -1 3 385.431 3.209 20 30 GGEDHM COc1ccc(C=C2SC(=Nc3cccc(C)c3)NC2=O)cc1-c1nnn[n-]1 ZINC000737084059 599154361 /nfs/dbraw/zinc/15/43/61/599154361.db2.gz RSNQCPIZJVFQRX-YBEGLDIGSA-N -1 3 392.444 3.075 20 30 GGEDHM COc1ccc(C=C2SC(=Nc3cccc(C)c3)NC2=O)cc1-c1nn[n-]n1 ZINC000737084059 599154364 /nfs/dbraw/zinc/15/43/64/599154364.db2.gz RSNQCPIZJVFQRX-YBEGLDIGSA-N -1 3 392.444 3.075 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)CCO3)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202175 599157748 /nfs/dbraw/zinc/15/77/48/599157748.db2.gz KZCHGCNAWQPDKG-WAPJZHGLSA-N -1 3 398.426 3.192 20 30 GGEDHM Cc1c(C(=O)C=Cc2cccc(C#N)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203240 599157807 /nfs/dbraw/zinc/15/78/07/599157807.db2.gz SQUGNKQEXLHXRJ-YHYXMXQVSA-N -1 3 381.399 3.129 20 30 GGEDHM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737246487 599191650 /nfs/dbraw/zinc/19/16/50/599191650.db2.gz KVRSAGLBHNFVOW-UHFFFAOYSA-N -1 3 376.420 3.071 20 30 GGEDHM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737246487 599191652 /nfs/dbraw/zinc/19/16/52/599191652.db2.gz KVRSAGLBHNFVOW-UHFFFAOYSA-N -1 3 376.420 3.071 20 30 GGEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000735560634 599195712 /nfs/dbraw/zinc/19/57/12/599195712.db2.gz SIZDQICNPZMOAA-JTQLQIEISA-N -1 3 386.337 3.499 20 30 GGEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000735560634 599195713 /nfs/dbraw/zinc/19/57/13/599195713.db2.gz SIZDQICNPZMOAA-JTQLQIEISA-N -1 3 386.337 3.499 20 30 GGEDHM N#Cc1ccc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1-c1nnn[n-]1 ZINC000737717127 599198705 /nfs/dbraw/zinc/19/87/05/599198705.db2.gz ZDIYHERZLSWXKI-UHFFFAOYSA-N -1 3 377.795 3.054 20 30 GGEDHM N#Cc1ccc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1-c1nn[n-]n1 ZINC000737717127 599198708 /nfs/dbraw/zinc/19/87/08/599198708.db2.gz ZDIYHERZLSWXKI-UHFFFAOYSA-N -1 3 377.795 3.054 20 30 GGEDHM N#Cc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1-c1nnn[n-]1 ZINC000737716318 599199013 /nfs/dbraw/zinc/19/90/13/599199013.db2.gz PBFCQXIRBUGIFJ-UHFFFAOYSA-N -1 3 396.410 3.423 20 30 GGEDHM N#Cc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1-c1nn[n-]n1 ZINC000737716318 599199015 /nfs/dbraw/zinc/19/90/15/599199015.db2.gz PBFCQXIRBUGIFJ-UHFFFAOYSA-N -1 3 396.410 3.423 20 30 GGEDHM C=CCOc1ccc(OC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000819759232 599203474 /nfs/dbraw/zinc/20/34/74/599203474.db2.gz QHWQMQJQUPJRCE-IBGZPJMESA-N -1 3 394.431 3.441 20 30 GGEDHM C=CCOc1ccc(OC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000819759232 599203476 /nfs/dbraw/zinc/20/34/76/599203476.db2.gz QHWQMQJQUPJRCE-IBGZPJMESA-N -1 3 394.431 3.441 20 30 GGEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820155981 599263683 /nfs/dbraw/zinc/26/36/83/599263683.db2.gz XMRXNMUWIQKTES-ZDUSSCGKSA-N -1 3 391.435 3.408 20 30 GGEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820155981 599263685 /nfs/dbraw/zinc/26/36/85/599263685.db2.gz XMRXNMUWIQKTES-ZDUSSCGKSA-N -1 3 391.435 3.408 20 30 GGEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000821407059 599267013 /nfs/dbraw/zinc/26/70/13/599267013.db2.gz NZHVRJFFZZILHD-GFCCVEGCSA-N -1 3 377.408 3.020 20 30 GGEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000821407059 599267015 /nfs/dbraw/zinc/26/70/15/599267015.db2.gz NZHVRJFFZZILHD-GFCCVEGCSA-N -1 3 377.408 3.020 20 30 GGEDHM CCOC(=O)c1ccc(C#N)c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736602275 599290437 /nfs/dbraw/zinc/29/04/37/599290437.db2.gz GSHXJOASGZASIJ-LLVKDONJSA-N -1 3 380.433 3.163 20 30 GGEDHM CCOC(=O)c1ccc(C#N)c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736602275 599290440 /nfs/dbraw/zinc/29/04/40/599290440.db2.gz GSHXJOASGZASIJ-LLVKDONJSA-N -1 3 380.433 3.163 20 30 GGEDHM CC(C)(CN=Nc1cccc(-c2nnn[n-]2)c1)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000819976592 607325454 /nfs/dbraw/zinc/32/54/54/607325454.db2.gz YLFUKPVTFBEDCO-KRWDZBQOSA-N -1 3 379.424 3.351 20 30 GGEDHM CC(C)(CN=Nc1cccc(-c2nn[n-]n2)c1)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000819976592 607325455 /nfs/dbraw/zinc/32/54/55/607325455.db2.gz YLFUKPVTFBEDCO-KRWDZBQOSA-N -1 3 379.424 3.351 20 30 GGEDHM C#Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)cc3)SC2=S)c1 ZINC000735390690 598359130 /nfs/dbraw/zinc/35/91/30/598359130.db2.gz CAJZTVRUCMQZJJ-WJDWOHSUSA-N -1 3 389.465 3.254 20 30 GGEDHM C#Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)cc3)SC2=S)c1 ZINC000735390690 598359132 /nfs/dbraw/zinc/35/91/32/598359132.db2.gz CAJZTVRUCMQZJJ-WJDWOHSUSA-N -1 3 389.465 3.254 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000735436378 598376555 /nfs/dbraw/zinc/37/65/55/598376555.db2.gz JWTBQJRRBMRCOF-FLIBITNWSA-N -1 3 375.432 3.384 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000735436378 598376558 /nfs/dbraw/zinc/37/65/58/598376558.db2.gz JWTBQJRRBMRCOF-FLIBITNWSA-N -1 3 375.432 3.384 20 30 GGEDHM COc1ccc(C#N)cc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737064940 598426525 /nfs/dbraw/zinc/42/65/25/598426525.db2.gz FTFHKGAFKFWFKF-UHFFFAOYSA-N -1 3 391.435 3.189 20 30 GGEDHM COc1ccc(C#N)cc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737064940 598426527 /nfs/dbraw/zinc/42/65/27/598426527.db2.gz FTFHKGAFKFWFKF-UHFFFAOYSA-N -1 3 391.435 3.189 20 30 GGEDHM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737674543 598444654 /nfs/dbraw/zinc/44/46/54/598444654.db2.gz KMBYEICAKITHGK-GOSISDBHSA-N -1 3 381.399 3.169 20 30 GGEDHM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737674543 598444656 /nfs/dbraw/zinc/44/46/56/598444656.db2.gz KMBYEICAKITHGK-GOSISDBHSA-N -1 3 381.399 3.169 20 30 GGEDHM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737674552 598444867 /nfs/dbraw/zinc/44/48/67/598444867.db2.gz KMBYEICAKITHGK-SFHVURJKSA-N -1 3 381.399 3.169 20 30 GGEDHM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737674552 598444869 /nfs/dbraw/zinc/44/48/69/598444869.db2.gz KMBYEICAKITHGK-SFHVURJKSA-N -1 3 381.399 3.169 20 30 GGEDHM C[C@H](OC(=O)CSCc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155109 598486011 /nfs/dbraw/zinc/48/60/11/598486011.db2.gz HIJUBOXETUHFPD-ZDUSSCGKSA-N -1 3 379.445 3.276 20 30 GGEDHM C[C@H](OC(=O)CSCc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155109 598486014 /nfs/dbraw/zinc/48/60/14/598486014.db2.gz HIJUBOXETUHFPD-ZDUSSCGKSA-N -1 3 379.445 3.276 20 30 GGEDHM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000736670425 598518502 /nfs/dbraw/zinc/51/85/02/598518502.db2.gz PKHVAVFDIJVZCB-SNVBAGLBSA-N -1 3 382.449 3.077 20 30 GGEDHM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000736670425 598518503 /nfs/dbraw/zinc/51/85/03/598518503.db2.gz PKHVAVFDIJVZCB-SNVBAGLBSA-N -1 3 382.449 3.077 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735977745 598557777 /nfs/dbraw/zinc/55/77/77/598557777.db2.gz XGKZNVIABXLOJW-CYBMUJFWSA-N -1 3 393.476 3.312 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735977745 598557778 /nfs/dbraw/zinc/55/77/78/598557778.db2.gz XGKZNVIABXLOJW-CYBMUJFWSA-N -1 3 393.476 3.312 20 30 GGEDHM C=CCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000735431289 598557958 /nfs/dbraw/zinc/55/79/58/598557958.db2.gz AWIKJSKFDWXQJO-UHFFFAOYSA-N -1 3 384.827 3.407 20 30 GGEDHM C=CCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000735431289 598557959 /nfs/dbraw/zinc/55/79/59/598557959.db2.gz AWIKJSKFDWXQJO-UHFFFAOYSA-N -1 3 384.827 3.407 20 30 GGEDHM N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000737726996 598574123 /nfs/dbraw/zinc/57/41/23/598574123.db2.gz ASCPYKNPCZWTPH-UHFFFAOYSA-N -1 3 386.371 3.163 20 30 GGEDHM N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)o1 ZINC000737726996 598574124 /nfs/dbraw/zinc/57/41/24/598574124.db2.gz ASCPYKNPCZWTPH-UHFFFAOYSA-N -1 3 386.371 3.163 20 30 GGEDHM N#Cc1ccc(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1Cl ZINC000737717184 598651950 /nfs/dbraw/zinc/65/19/50/598651950.db2.gz ARMKUAJBJWQQEA-UHFFFAOYSA-N -1 3 379.855 3.108 20 30 GGEDHM N#Cc1ccc(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1Cl ZINC000737717184 598651951 /nfs/dbraw/zinc/65/19/51/598651951.db2.gz ARMKUAJBJWQQEA-UHFFFAOYSA-N -1 3 379.855 3.108 20 30 GGEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735905930 598654825 /nfs/dbraw/zinc/65/48/25/598654825.db2.gz NRFLGVLUNFIAHC-UHFFFAOYSA-N -1 3 394.460 3.256 20 30 GGEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735905930 598654827 /nfs/dbraw/zinc/65/48/27/598654827.db2.gz NRFLGVLUNFIAHC-UHFFFAOYSA-N -1 3 394.460 3.256 20 30 GGEDHM C=CCSCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735436164 598667458 /nfs/dbraw/zinc/66/74/58/598667458.db2.gz GXHLDADHZFBKPZ-UHFFFAOYSA-N -1 3 381.461 3.308 20 30 GGEDHM C=CCSCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735436164 598667460 /nfs/dbraw/zinc/66/74/60/598667460.db2.gz GXHLDADHZFBKPZ-UHFFFAOYSA-N -1 3 381.461 3.308 20 30 GGEDHM COc1cc(C=NOCc2ccc(F)cc2-c2nnn[n-]2)ccc1OC(C)C ZINC000737045310 598674191 /nfs/dbraw/zinc/67/41/91/598674191.db2.gz ZWHFPAAUSWMCMT-UHFFFAOYSA-N -1 3 385.399 3.352 20 30 GGEDHM COc1cc(C=NOCc2ccc(F)cc2-c2nn[n-]n2)ccc1OC(C)C ZINC000737045310 598674192 /nfs/dbraw/zinc/67/41/92/598674192.db2.gz ZWHFPAAUSWMCMT-UHFFFAOYSA-N -1 3 385.399 3.352 20 30 GGEDHM C=CCc1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc(OC)c1OC ZINC000735443080 598704477 /nfs/dbraw/zinc/70/44/77/598704477.db2.gz PCGFGNLZZGRNMG-UHFFFAOYSA-N -1 3 398.394 3.109 20 30 GGEDHM C=CCc1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc(OC)c1OC ZINC000735443080 598704478 /nfs/dbraw/zinc/70/44/78/598704478.db2.gz PCGFGNLZZGRNMG-UHFFFAOYSA-N -1 3 398.394 3.109 20 30 GGEDHM N#Cc1ccc(Oc2ccc(C(=O)OCc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000737722177 598726559 /nfs/dbraw/zinc/72/65/59/598726559.db2.gz PLXVWMKVEOFWDP-UHFFFAOYSA-N -1 3 398.382 3.283 20 30 GGEDHM N#Cc1ccc(Oc2ccc(C(=O)OCc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000737722177 598726560 /nfs/dbraw/zinc/72/65/60/598726560.db2.gz PLXVWMKVEOFWDP-UHFFFAOYSA-N -1 3 398.382 3.283 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000735389990 598736599 /nfs/dbraw/zinc/73/65/99/598736599.db2.gz MGDCUYDMOPZCSD-UHFFFAOYSA-N -1 3 396.410 3.074 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000735389990 598736601 /nfs/dbraw/zinc/73/66/01/598736601.db2.gz MGDCUYDMOPZCSD-UHFFFAOYSA-N -1 3 396.410 3.074 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ncoc1-c1ccccc1 ZINC000735420737 598741089 /nfs/dbraw/zinc/74/10/89/598741089.db2.gz RNAUUTSWJFYXDP-UHFFFAOYSA-N -1 3 386.415 3.350 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ncoc1-c1ccccc1 ZINC000735420737 598741090 /nfs/dbraw/zinc/74/10/90/598741090.db2.gz RNAUUTSWJFYXDP-UHFFFAOYSA-N -1 3 386.415 3.350 20 30 GGEDHM N#CCCCCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000737688173 598748758 /nfs/dbraw/zinc/74/87/58/598748758.db2.gz QXAOLZWJZKHBNN-UHFFFAOYSA-N -1 3 378.461 3.442 20 30 GGEDHM N#CCCCCNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000737688173 598748759 /nfs/dbraw/zinc/74/87/59/598748759.db2.gz QXAOLZWJZKHBNN-UHFFFAOYSA-N -1 3 378.461 3.442 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2ccccc2n1CC#N ZINC000735418147 598817974 /nfs/dbraw/zinc/81/79/74/598817974.db2.gz CCMSRUSCENWARN-UHFFFAOYSA-N -1 3 397.442 3.173 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2ccccc2n1CC#N ZINC000735418147 598817975 /nfs/dbraw/zinc/81/79/75/598817975.db2.gz CCMSRUSCENWARN-UHFFFAOYSA-N -1 3 397.442 3.173 20 30 GGEDHM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H]2CCCO[C@H]21 ZINC000820577297 599339461 /nfs/dbraw/zinc/33/94/61/599339461.db2.gz NRVYSCMZEGPIHV-BXUZGUMPSA-N -1 3 380.374 3.488 20 30 GGEDHM CC1(C)C(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H]2CCCO[C@H]21 ZINC000820577297 599339464 /nfs/dbraw/zinc/33/94/64/599339464.db2.gz NRVYSCMZEGPIHV-BXUZGUMPSA-N -1 3 380.374 3.488 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(c2ccccc2F)CC1 ZINC000735418865 599373434 /nfs/dbraw/zinc/37/34/34/599373434.db2.gz KRTZJKFSNZMTFS-UHFFFAOYSA-N -1 3 377.423 3.252 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(c2ccccc2F)CC1 ZINC000735418865 599373437 /nfs/dbraw/zinc/37/34/37/599373437.db2.gz KRTZJKFSNZMTFS-UHFFFAOYSA-N -1 3 377.423 3.252 20 30 GGEDHM Clc1ccc(C=NOCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822573777 599383223 /nfs/dbraw/zinc/38/32/23/599383223.db2.gz IGFCLJSJIULNSS-UHFFFAOYSA-N -1 3 381.783 3.121 20 30 GGEDHM Clc1ccc(C=NOCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822573777 599383226 /nfs/dbraw/zinc/38/32/26/599383226.db2.gz IGFCLJSJIULNSS-UHFFFAOYSA-N -1 3 381.783 3.121 20 30 GGEDHM Clc1ccc(C=NOCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822573974 599383407 /nfs/dbraw/zinc/38/34/07/599383407.db2.gz MBDKTEBUFWSRCK-UHFFFAOYSA-N -1 3 381.783 3.121 20 30 GGEDHM Clc1ccc(C=NOCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000822573974 599383409 /nfs/dbraw/zinc/38/34/09/599383409.db2.gz MBDKTEBUFWSRCK-UHFFFAOYSA-N -1 3 381.783 3.121 20 30 GGEDHM N#Cc1cc(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)nc2ccccc12 ZINC000737704461 599410402 /nfs/dbraw/zinc/41/04/02/599410402.db2.gz ITEONJNZUSRFJS-UHFFFAOYSA-N -1 3 396.458 3.003 20 30 GGEDHM N#Cc1cc(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)nc2ccccc12 ZINC000737704461 599410404 /nfs/dbraw/zinc/41/04/04/599410404.db2.gz ITEONJNZUSRFJS-UHFFFAOYSA-N -1 3 396.458 3.003 20 30 GGEDHM N#Cc1ccc(OC2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000737722672 599430172 /nfs/dbraw/zinc/43/01/72/599430172.db2.gz XLHZIAZGCFCGQZ-UHFFFAOYSA-N -1 3 397.442 3.334 20 30 GGEDHM N#Cc1ccc(OC2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000737722672 599430179 /nfs/dbraw/zinc/43/01/79/599430179.db2.gz XLHZIAZGCFCGQZ-UHFFFAOYSA-N -1 3 397.442 3.334 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC)c1nccs1 ZINC000735418142 599613441 /nfs/dbraw/zinc/61/34/41/599613441.db2.gz BZJKWOWKCXNPBU-HNNXBMFYSA-N -1 3 383.481 3.172 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC)c1nccs1 ZINC000735418142 599613444 /nfs/dbraw/zinc/61/34/44/599613444.db2.gz BZJKWOWKCXNPBU-HNNXBMFYSA-N -1 3 383.481 3.172 20 30 GGEDHM N#Cc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000822829903 599633901 /nfs/dbraw/zinc/63/39/01/599633901.db2.gz OPNYAEGBAUOKHL-SOFGYWHQSA-N -1 3 384.321 3.409 20 30 GGEDHM N#Cc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000822829903 599633902 /nfs/dbraw/zinc/63/39/02/599633902.db2.gz OPNYAEGBAUOKHL-SOFGYWHQSA-N -1 3 384.321 3.409 20 30 GGEDHM CCC(CC)CN(CCC#N)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820893747 599640374 /nfs/dbraw/zinc/64/03/74/599640374.db2.gz UMQSASQYGBTMCL-UHFFFAOYSA-N -1 3 389.891 3.110 20 30 GGEDHM CCC(CC)CN(CCC#N)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820893747 599640375 /nfs/dbraw/zinc/64/03/75/599640375.db2.gz UMQSASQYGBTMCL-UHFFFAOYSA-N -1 3 389.891 3.110 20 30 GGEDHM CC(=NN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1cnccn1 ZINC000819773153 599663606 /nfs/dbraw/zinc/66/36/06/599663606.db2.gz PWKMKUKUSNLUMD-UHFFFAOYSA-N -1 3 398.430 3.079 20 30 GGEDHM CC(=NN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1cnccn1 ZINC000819773153 599663607 /nfs/dbraw/zinc/66/36/07/599663607.db2.gz PWKMKUKUSNLUMD-UHFFFAOYSA-N -1 3 398.430 3.079 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000819744056 599681697 /nfs/dbraw/zinc/68/16/97/599681697.db2.gz UUZGNPGUCJVRSJ-HNNXBMFYSA-N -1 3 387.447 3.197 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000819744056 599681698 /nfs/dbraw/zinc/68/16/98/599681698.db2.gz UUZGNPGUCJVRSJ-HNNXBMFYSA-N -1 3 387.447 3.197 20 30 GGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819745534 599681835 /nfs/dbraw/zinc/68/18/35/599681835.db2.gz HVLNJLRGLNNWIB-OAHLLOKOSA-N -1 3 387.447 3.197 20 30 GGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819745534 599681836 /nfs/dbraw/zinc/68/18/36/599681836.db2.gz HVLNJLRGLNNWIB-OAHLLOKOSA-N -1 3 387.447 3.197 20 30 GGEDHM C=CCN(Cc1nc([C@@H](C)OCC(C)C)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745501 599683483 /nfs/dbraw/zinc/68/34/83/599683483.db2.gz GRSHHZQISUBMNK-OAHLLOKOSA-N -1 3 397.483 3.172 20 30 GGEDHM C=CCN(Cc1nc([C@@H](C)OCC(C)C)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745501 599683484 /nfs/dbraw/zinc/68/34/84/599683484.db2.gz GRSHHZQISUBMNK-OAHLLOKOSA-N -1 3 397.483 3.172 20 30 GGEDHM C=CCC[C@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734545 607390462 /nfs/dbraw/zinc/39/04/62/607390462.db2.gz QTHYLSLXPOQCGM-IBGZPJMESA-N -1 3 392.463 3.252 20 30 GGEDHM C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(C(=O)[O-])co1 ZINC000736118173 599844018 /nfs/dbraw/zinc/84/40/18/599844018.db2.gz RETVVANELBYVFM-UHFFFAOYSA-N -1 3 376.482 3.076 20 30 GGEDHM COc1ccc(C(=O)C2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000737919785 600563554 /nfs/dbraw/zinc/56/35/54/600563554.db2.gz GEMXWCDMMMFIBQ-HXUWFJFHSA-N -1 3 378.428 3.287 20 30 GGEDHM N#Cc1ccc([C@@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C(=O)[O-])cc1 ZINC000739108006 600592144 /nfs/dbraw/zinc/59/21/44/600592144.db2.gz SLUHROUHNRHPPB-HXUWFJFHSA-N -1 3 377.444 3.100 20 30 GGEDHM N#Cc1ccc([C@H](NCc2ccc(NC(=O)c3cccnc3)cc2)C(=O)[O-])cc1 ZINC000739108868 600597080 /nfs/dbraw/zinc/59/70/80/600597080.db2.gz XOFOABIUTCKLRQ-FQEVSTJZSA-N -1 3 386.411 3.121 20 30 GGEDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Br ZINC000738008450 600597690 /nfs/dbraw/zinc/59/76/90/600597690.db2.gz KJBFMWYUTDDABB-INIZCTEOSA-N -1 3 375.222 3.245 20 30 GGEDHM N#Cc1ccc([C@H](NCc2cccc(COC3CCOCC3)c2)C(=O)[O-])cc1 ZINC000739107560 600598857 /nfs/dbraw/zinc/59/88/57/600598857.db2.gz RXTAAGKBNGRFLK-NRFANRHFSA-N -1 3 380.444 3.169 20 30 GGEDHM N#Cc1ccc([C@@H](NCc2cccc(COC3CCOCC3)c2)C(=O)[O-])cc1 ZINC000739107566 600598933 /nfs/dbraw/zinc/59/89/33/600598933.db2.gz RXTAAGKBNGRFLK-OAQYLSRUSA-N -1 3 380.444 3.169 20 30 GGEDHM CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000821346395 607457637 /nfs/dbraw/zinc/45/76/37/607457637.db2.gz HGJXEYPTQQBAKG-XYOKQWHBSA-N -1 3 396.378 3.296 20 30 GGEDHM CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000821346395 607457640 /nfs/dbraw/zinc/45/76/40/607457640.db2.gz HGJXEYPTQQBAKG-XYOKQWHBSA-N -1 3 396.378 3.296 20 30 GGEDHM CC(C)c1cnc(CN(C)[C@@H]2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000827139078 601027722 /nfs/dbraw/zinc/02/77/22/601027722.db2.gz FDOPQUWCSXPCQF-XLIONFOSSA-N -1 3 382.464 3.002 20 30 GGEDHM CC(C)c1cnc(CN(C)[C@H]2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000827139076 601028093 /nfs/dbraw/zinc/02/80/93/601028093.db2.gz FDOPQUWCSXPCQF-FXAWDEMLSA-N -1 3 382.464 3.002 20 30 GGEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832000135 601236644 /nfs/dbraw/zinc/23/66/44/601236644.db2.gz JXNDHUQHOZRARJ-FRRDWIJNSA-N -1 3 392.839 3.195 20 30 GGEDHM N#Cc1cccc([C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C(=O)[O-])c1 ZINC000833074879 601298771 /nfs/dbraw/zinc/29/87/71/601298771.db2.gz FWWFEWKFHYKTND-FQEVSTJZSA-N -1 3 377.444 3.100 20 30 GGEDHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OCC(F)(F)F ZINC000832000306 601301158 /nfs/dbraw/zinc/30/11/58/601301158.db2.gz MKJXNGQUJNMNKA-QGZVFWFLSA-N -1 3 394.349 3.423 20 30 GGEDHM CCOc1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(F)F ZINC000830045182 601301797 /nfs/dbraw/zinc/30/17/97/601301797.db2.gz XIGWZEHVQFYFSG-QGZVFWFLSA-N -1 3 376.359 3.474 20 30 GGEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1Br ZINC000832341926 601304215 /nfs/dbraw/zinc/30/42/15/601304215.db2.gz PWSHHYXDNFPSRR-MRXNPFEDSA-N -1 3 375.222 3.245 20 30 GGEDHM CC[C@H](C#N)Oc1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC000828586333 601305162 /nfs/dbraw/zinc/30/51/62/601305162.db2.gz DJNIXTUZDBZMSF-YLJYHZDGSA-N -1 3 379.416 3.163 20 30 GGEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000833074504 601312041 /nfs/dbraw/zinc/31/20/41/601312041.db2.gz ZIBSBRIPBPBVGC-LJQANCHMSA-N -1 3 396.422 3.109 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000825642306 601415760 /nfs/dbraw/zinc/41/57/60/601415760.db2.gz NUVHPERPUKVWQW-KRWDZBQOSA-N -1 3 379.888 3.196 20 30 GGEDHM C=CCOc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000825698377 601740397 /nfs/dbraw/zinc/74/03/97/601740397.db2.gz HEDBTSWOCHMWDN-QHCPKHFHSA-N -1 3 394.471 3.101 20 30 GGEDHM CN(CCC(=O)Nc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727399 601901347 /nfs/dbraw/zinc/90/13/47/601901347.db2.gz RULWCMWHSLZCDS-SFHVURJKSA-N -1 3 391.349 3.062 20 30 GGEDHM CN(CCC(=O)Nc1cccc(C#N)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727044 601904340 /nfs/dbraw/zinc/90/43/40/601904340.db2.gz HIWSCDPFUGAANV-GOSISDBHSA-N -1 3 391.349 3.062 20 30 GGEDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCC#Cc2ccccc2Cl)n1 ZINC000825559445 607541505 /nfs/dbraw/zinc/54/15/05/607541505.db2.gz FTMYGYBININLNU-UHFFFAOYSA-N -1 3 399.863 3.236 20 30 GGEDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCC#Cc2ccccc2Cl)n1 ZINC000825559445 607541507 /nfs/dbraw/zinc/54/15/07/607541507.db2.gz FTMYGYBININLNU-UHFFFAOYSA-N -1 3 399.863 3.236 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)[O-])ccc2-n2cc(C)cn2)CC1 ZINC000833369234 604491249 /nfs/dbraw/zinc/49/12/49/604491249.db2.gz LLJRTYVQSUVCEW-UHFFFAOYSA-N -1 3 397.479 3.041 20 30 GGEDHM C[C@H](Oc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1)C(=O)[O-] ZINC000833543621 604587776 /nfs/dbraw/zinc/58/77/76/604587776.db2.gz SZYBLJHPVRLUKH-INIZCTEOSA-N -1 3 380.444 3.454 20 30 GGEDHM C[C@@H](Oc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1)C(=O)[O-] ZINC000833543622 604587850 /nfs/dbraw/zinc/58/78/50/604587850.db2.gz SZYBLJHPVRLUKH-MRXNPFEDSA-N -1 3 380.444 3.454 20 30 GGEDHM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833402129 604939361 /nfs/dbraw/zinc/93/93/61/604939361.db2.gz BRKCREJEULDVTD-CVEARBPZSA-N -1 3 389.471 3.284 20 30 GGEDHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000833416983 604947709 /nfs/dbraw/zinc/94/77/09/604947709.db2.gz IXHSRSWUPOYCFB-KBPBESRZSA-N -1 3 385.489 3.295 20 30 GGEDHM C=CCC[C@@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000833373465 605144102 /nfs/dbraw/zinc/14/41/02/605144102.db2.gz PYWDPTYCOJMVMO-RTWAWAEBSA-N -1 3 378.472 3.322 20 30 GGEDHM C=CCC[C@@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000833373464 605144362 /nfs/dbraw/zinc/14/43/62/605144362.db2.gz PYWDPTYCOJMVMO-NHCUHLMSSA-N -1 3 378.472 3.322 20 30 GGEDHM C=CCC[C@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000833373463 605144549 /nfs/dbraw/zinc/14/45/49/605144549.db2.gz PYWDPTYCOJMVMO-LEWJYISDSA-N -1 3 378.472 3.322 20 30 GGEDHM N#CC1(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCCCC1 ZINC000826379755 607769690 /nfs/dbraw/zinc/76/96/90/607769690.db2.gz AJHKAPRYLZTLQB-UHFFFAOYSA-N -1 3 379.449 3.403 20 30 GGEDHM N#CC1(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCCCC1 ZINC000826379755 607769691 /nfs/dbraw/zinc/76/96/91/607769691.db2.gz AJHKAPRYLZTLQB-UHFFFAOYSA-N -1 3 379.449 3.403 20 30 GGEDHM N#Cc1csc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826387898 607771409 /nfs/dbraw/zinc/77/14/09/607771409.db2.gz XSFKCHLTCYQFFC-UHFFFAOYSA-N -1 3 379.430 3.176 20 30 GGEDHM N#Cc1csc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826387898 607771410 /nfs/dbraw/zinc/77/14/10/607771410.db2.gz XSFKCHLTCYQFFC-UHFFFAOYSA-N -1 3 379.430 3.176 20 30 GGEDHM Clc1ccc(CCN=C2NN=C(c3ccc(-c4nnn[n-]4)cc3)CS2)cc1 ZINC000822573566 606021304 /nfs/dbraw/zinc/02/13/04/606021304.db2.gz AWYUJRYADACSNG-UHFFFAOYSA-N -1 3 397.895 3.159 20 30 GGEDHM Clc1ccc(CCN=C2NN=C(c3ccc(-c4nn[n-]n4)cc3)CS2)cc1 ZINC000822573566 606021311 /nfs/dbraw/zinc/02/13/11/606021311.db2.gz AWYUJRYADACSNG-UHFFFAOYSA-N -1 3 397.895 3.159 20 30 GGEDHM O=C(C#Cc1ccccc1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822912292 606152815 /nfs/dbraw/zinc/15/28/15/606152815.db2.gz UZTVTXQPDQFNEY-UHFFFAOYSA-N -1 3 395.422 3.436 20 30 GGEDHM O=C(C#Cc1ccccc1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822912292 606152817 /nfs/dbraw/zinc/15/28/17/606152817.db2.gz UZTVTXQPDQFNEY-UHFFFAOYSA-N -1 3 395.422 3.436 20 30 GGEDHM CC(C)[C@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820016225 606168715 /nfs/dbraw/zinc/16/87/15/606168715.db2.gz KMBYWWJQKDDYGE-SFHVURJKSA-N -1 3 377.404 3.151 20 30 GGEDHM CC(C)[C@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820016225 606168717 /nfs/dbraw/zinc/16/87/17/606168717.db2.gz KMBYWWJQKDDYGE-SFHVURJKSA-N -1 3 377.404 3.151 20 30 GGEDHM C#CC[C@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000819693632 606181501 /nfs/dbraw/zinc/18/15/01/606181501.db2.gz URAWCQIQPQKRSK-KRWDZBQOSA-N -1 3 375.388 3.013 20 30 GGEDHM C#CC[C@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000819693632 606181503 /nfs/dbraw/zinc/18/15/03/606181503.db2.gz URAWCQIQPQKRSK-KRWDZBQOSA-N -1 3 375.388 3.013 20 30 GGEDHM CC(C)Oc1ccc(NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820173348 606205238 /nfs/dbraw/zinc/20/52/38/606205238.db2.gz AXXRYWDHZUETDO-UHFFFAOYSA-N -1 3 387.494 3.036 20 30 GGEDHM CC(C)Oc1ccc(NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820173348 606205240 /nfs/dbraw/zinc/20/52/40/606205240.db2.gz AXXRYWDHZUETDO-UHFFFAOYSA-N -1 3 387.494 3.036 20 30 GGEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000819710203 606244470 /nfs/dbraw/zinc/24/44/70/606244470.db2.gz ZFGJMHOWQVXQMP-UHFFFAOYSA-N -1 3 388.456 3.095 20 30 GGEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000819710203 606244471 /nfs/dbraw/zinc/24/44/71/606244471.db2.gz ZFGJMHOWQVXQMP-UHFFFAOYSA-N -1 3 388.456 3.095 20 30 GGEDHM N#CCCCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822806151 606269889 /nfs/dbraw/zinc/26/98/89/606269889.db2.gz JLMBVGXBSRLJJN-UHFFFAOYSA-N -1 3 378.461 3.442 20 30 GGEDHM N#CCCCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822806151 606269891 /nfs/dbraw/zinc/26/98/91/606269891.db2.gz JLMBVGXBSRLJJN-UHFFFAOYSA-N -1 3 378.461 3.442 20 30 GGEDHM C=CCc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc(OC)c1OC ZINC000819759518 606270741 /nfs/dbraw/zinc/27/07/41/606270741.db2.gz YREZEPFMXJUHPN-UHFFFAOYSA-N -1 3 383.383 3.004 20 30 GGEDHM C=CCc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc(OC)c1OC ZINC000819759518 606270742 /nfs/dbraw/zinc/27/07/42/606270742.db2.gz YREZEPFMXJUHPN-UHFFFAOYSA-N -1 3 383.383 3.004 20 30 GGEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cnn1-c1ccc(F)cc1 ZINC000822016372 606305548 /nfs/dbraw/zinc/30/55/48/606305548.db2.gz YYBHXMXPRPVCNB-VOTSOKGWSA-N -1 3 380.408 3.458 20 30 GGEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cnn1-c1ccc(F)cc1 ZINC000822016372 606305550 /nfs/dbraw/zinc/30/55/50/606305550.db2.gz YYBHXMXPRPVCNB-VOTSOKGWSA-N -1 3 380.408 3.458 20 30 GGEDHM O=C1c2cc(Br)ccc2OC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823504254 606306637 /nfs/dbraw/zinc/30/66/37/606306637.db2.gz NUCYOZUOAHVLFD-XGICHPGQSA-N -1 3 375.207 3.307 20 30 GGEDHM O=C1c2cc(Br)ccc2OC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823504254 606306638 /nfs/dbraw/zinc/30/66/38/606306638.db2.gz NUCYOZUOAHVLFD-XGICHPGQSA-N -1 3 375.207 3.307 20 30 GGEDHM C=C(C)CN(CC)C(=O)COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819723028 606307176 /nfs/dbraw/zinc/30/71/76/606307176.db2.gz VCBTYGFFZXYOTM-UHFFFAOYSA-N -1 3 393.447 3.462 20 30 GGEDHM C=C(C)CN(CC)C(=O)COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819723028 606307179 /nfs/dbraw/zinc/30/71/79/606307179.db2.gz VCBTYGFFZXYOTM-UHFFFAOYSA-N -1 3 393.447 3.462 20 30 GGEDHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820937797 606371953 /nfs/dbraw/zinc/37/19/53/606371953.db2.gz DDYFNVDVSQSFSC-HNNXBMFYSA-N -1 3 382.811 3.188 20 30 GGEDHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820937797 606371955 /nfs/dbraw/zinc/37/19/55/606371955.db2.gz DDYFNVDVSQSFSC-HNNXBMFYSA-N -1 3 382.811 3.188 20 30 GGEDHM Cc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)S2)c(C)c1 ZINC000822254543 606387648 /nfs/dbraw/zinc/38/76/48/606387648.db2.gz MQNVSAKDMFPRMK-ZSOIEALJSA-N -1 3 382.474 3.437 20 30 GGEDHM C#CCN(CC#C)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000819697877 606459153 /nfs/dbraw/zinc/45/91/53/606459153.db2.gz MYCPKOTWWYKVJI-UHFFFAOYSA-N -1 3 391.818 3.021 20 30 GGEDHM N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822842366 606507296 /nfs/dbraw/zinc/50/72/96/606507296.db2.gz FCDQRGVJAGKNEC-UHFFFAOYSA-N -1 3 384.399 3.107 20 30 GGEDHM N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822842366 606507299 /nfs/dbraw/zinc/50/72/99/606507299.db2.gz FCDQRGVJAGKNEC-UHFFFAOYSA-N -1 3 384.399 3.107 20 30 GGEDHM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823396264 606563158 /nfs/dbraw/zinc/56/31/58/606563158.db2.gz HDQZJYUYGLHRGW-UHFFFAOYSA-N -1 3 378.335 3.156 20 30 GGEDHM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823396264 606563160 /nfs/dbraw/zinc/56/31/60/606563160.db2.gz HDQZJYUYGLHRGW-UHFFFAOYSA-N -1 3 378.335 3.156 20 30 GGEDHM N#Cc1cc(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(F)c1 ZINC000822819312 606682856 /nfs/dbraw/zinc/68/28/56/606682856.db2.gz OTCQUEINIMMKIW-UHFFFAOYSA-N -1 3 394.263 3.288 20 30 GGEDHM N#Cc1cc(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(F)c1 ZINC000822819312 606682857 /nfs/dbraw/zinc/68/28/57/606682857.db2.gz OTCQUEINIMMKIW-UHFFFAOYSA-N -1 3 394.263 3.288 20 30 GGEDHM N#Cc1ccc(Cl)cc1OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822826413 606787170 /nfs/dbraw/zinc/78/71/70/606787170.db2.gz WTFBKPPKSHDCQC-UHFFFAOYSA-N -1 3 389.202 3.063 20 30 GGEDHM N#Cc1ccc(Cl)cc1OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822826413 606787172 /nfs/dbraw/zinc/78/71/72/606787172.db2.gz WTFBKPPKSHDCQC-UHFFFAOYSA-N -1 3 389.202 3.063 20 30 GGEDHM N#CC1(OC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CCC1 ZINC000822801772 606801577 /nfs/dbraw/zinc/80/15/77/606801577.db2.gz OELDBGHMLQQVPF-UHFFFAOYSA-N -1 3 375.388 3.049 20 30 GGEDHM N#CC1(OC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CCC1 ZINC000822801772 606801580 /nfs/dbraw/zinc/80/15/80/606801580.db2.gz OELDBGHMLQQVPF-UHFFFAOYSA-N -1 3 375.388 3.049 20 30 GGEDHM C=C(C)COCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819722338 606804935 /nfs/dbraw/zinc/80/49/35/606804935.db2.gz HDKDLFFTPFORBW-UHFFFAOYSA-N -1 3 394.435 3.373 20 30 GGEDHM C=C(C)COCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000819722338 606804937 /nfs/dbraw/zinc/80/49/37/606804937.db2.gz HDKDLFFTPFORBW-UHFFFAOYSA-N -1 3 394.435 3.373 20 30 GGEDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)NC[C@H](C)C#N ZINC000822211673 606833369 /nfs/dbraw/zinc/83/33/69/606833369.db2.gz KLAROHIEXVOEGK-GFCCVEGCSA-N -1 3 377.408 3.249 20 30 GGEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)NC[C@H](C)C#N ZINC000822211673 606833371 /nfs/dbraw/zinc/83/33/71/606833371.db2.gz KLAROHIEXVOEGK-GFCCVEGCSA-N -1 3 377.408 3.249 20 30 GGEDHM COc1cc(C#N)cc(Cl)c1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821702885 606837276 /nfs/dbraw/zinc/83/72/76/606837276.db2.gz FOCSJOHMRIPBHC-UHFFFAOYSA-N -1 3 385.811 3.248 20 30 GGEDHM COc1cc(C#N)cc(Cl)c1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821702885 606837278 /nfs/dbraw/zinc/83/72/78/606837278.db2.gz FOCSJOHMRIPBHC-UHFFFAOYSA-N -1 3 385.811 3.248 20 30 GGEDHM Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822160653 606850506 /nfs/dbraw/zinc/85/05/06/606850506.db2.gz JVCWKYVKMTXDHN-UHFFFAOYSA-N -1 3 397.398 3.486 20 30 GGEDHM Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822160653 606850507 /nfs/dbraw/zinc/85/05/07/606850507.db2.gz JVCWKYVKMTXDHN-UHFFFAOYSA-N -1 3 397.398 3.486 20 30 GGEDHM COc1ccc(-c2cncc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2)cc1 ZINC000821731778 606867821 /nfs/dbraw/zinc/86/78/21/606867821.db2.gz GOMKZLXQRCDNLH-UHFFFAOYSA-N -1 3 397.398 3.061 20 30 GGEDHM COc1ccc(-c2cncc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2)cc1 ZINC000821731778 606867822 /nfs/dbraw/zinc/86/78/22/606867822.db2.gz GOMKZLXQRCDNLH-UHFFFAOYSA-N -1 3 397.398 3.061 20 30 GGEDHM N#Cc1ccc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c(F)c1 ZINC000822825245 606901295 /nfs/dbraw/zinc/90/12/95/606901295.db2.gz AHSDIYCUSGQYGP-UHFFFAOYSA-N -1 3 391.284 3.253 20 30 GGEDHM N#Cc1ccc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c(F)c1 ZINC000822825245 606901297 /nfs/dbraw/zinc/90/12/97/606901297.db2.gz AHSDIYCUSGQYGP-UHFFFAOYSA-N -1 3 391.284 3.253 20 30 GGEDHM CC1CC(C#N)(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000820643338 606906942 /nfs/dbraw/zinc/90/69/42/606906942.db2.gz USDJATHBUTYGOG-UHFFFAOYSA-N -1 3 378.461 3.151 20 30 GGEDHM C[C@@H](Sc1cccc(C#N)c1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820555106 607015174 /nfs/dbraw/zinc/01/51/74/607015174.db2.gz GIGKHFYTRZAUFK-SNVBAGLBSA-N -1 3 396.501 3.408 20 30 GGEDHM C[C@@H](Sc1cccc(C#N)c1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820555106 607015175 /nfs/dbraw/zinc/01/51/75/607015175.db2.gz GIGKHFYTRZAUFK-SNVBAGLBSA-N -1 3 396.501 3.408 20 30 GGEDHM C=C(C)Cn1c(SCc2ccccc2-c2nnn[n-]2)nnc1-c1ccncc1 ZINC000819722372 607016243 /nfs/dbraw/zinc/01/62/43/607016243.db2.gz HSZQHLIFKRJGQF-UHFFFAOYSA-N -1 3 390.476 3.389 20 30 GGEDHM C=C(C)Cn1c(SCc2ccccc2-c2nn[n-]n2)nnc1-c1ccncc1 ZINC000819722372 607016245 /nfs/dbraw/zinc/01/62/45/607016245.db2.gz HSZQHLIFKRJGQF-UHFFFAOYSA-N -1 3 390.476 3.389 20 30 GGEDHM C=CCOc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819758652 607048705 /nfs/dbraw/zinc/04/87/05/607048705.db2.gz DEZFWIQPHKIGQX-UHFFFAOYSA-N -1 3 380.404 3.195 20 30 GGEDHM C=CCOc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819758652 607048706 /nfs/dbraw/zinc/04/87/06/607048706.db2.gz DEZFWIQPHKIGQX-UHFFFAOYSA-N -1 3 380.404 3.195 20 30 GGEDHM C=CCSc1ccccc1NC(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000819758653 607171036 /nfs/dbraw/zinc/17/10/36/607171036.db2.gz DFALRFFZVALJGE-UHFFFAOYSA-N -1 3 385.424 3.301 20 30 GGEDHM C=CCSc1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000819758653 607171037 /nfs/dbraw/zinc/17/10/37/607171037.db2.gz DFALRFFZVALJGE-UHFFFAOYSA-N -1 3 385.424 3.301 20 30 GGEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820005623 607235457 /nfs/dbraw/zinc/23/54/57/607235457.db2.gz UFTRRVQOWMMLKA-UHFFFAOYSA-N -1 3 382.811 3.188 20 30 GGEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820005623 607235458 /nfs/dbraw/zinc/23/54/58/607235458.db2.gz UFTRRVQOWMMLKA-UHFFFAOYSA-N -1 3 382.811 3.188 20 30 GGEDHM C=CCN(CCc1ccccc1)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819743738 607237695 /nfs/dbraw/zinc/23/76/95/607237695.db2.gz PMLJOUVRAIFPKA-UHFFFAOYSA-N -1 3 391.475 3.281 20 30 GGEDHM C=CCN(CCc1ccccc1)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819743738 607237696 /nfs/dbraw/zinc/23/76/96/607237696.db2.gz PMLJOUVRAIFPKA-UHFFFAOYSA-N -1 3 391.475 3.281 20 30 GGEDHM CCc1c(C)sc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000821465167 607238164 /nfs/dbraw/zinc/23/81/64/607238164.db2.gz CRUIMWHNAFOXBB-UHFFFAOYSA-N -1 3 396.476 3.467 20 30 GGEDHM CCc1c(C)sc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000821465167 607238165 /nfs/dbraw/zinc/23/81/65/607238165.db2.gz CRUIMWHNAFOXBB-UHFFFAOYSA-N -1 3 396.476 3.467 20 30 GGEDHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(Cl)c1 ZINC000822262896 607238179 /nfs/dbraw/zinc/23/81/79/607238179.db2.gz GLPPLFVVBXKWOP-UHFFFAOYSA-N -1 3 396.838 3.498 20 30 GGEDHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(Cl)c1 ZINC000822262896 607238180 /nfs/dbraw/zinc/23/81/80/607238180.db2.gz GLPPLFVVBXKWOP-UHFFFAOYSA-N -1 3 396.838 3.498 20 30 GGEDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cccc1-c1ccccn1 ZINC000826234951 607861465 /nfs/dbraw/zinc/86/14/65/607861465.db2.gz WDMSIJMESMKKEB-UHFFFAOYSA-N -1 3 381.399 3.361 20 30 GGEDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cccc1-c1ccccn1 ZINC000826234951 607861466 /nfs/dbraw/zinc/86/14/66/607861466.db2.gz WDMSIJMESMKKEB-UHFFFAOYSA-N -1 3 381.399 3.361 20 30 GGEDHM Fc1cccn2cc(C=NNc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)nc12 ZINC000826378556 607888084 /nfs/dbraw/zinc/88/80/84/607888084.db2.gz PRAFJCJIDOULHH-UHFFFAOYSA-N -1 3 390.304 3.118 20 30 GGEDHM Fc1cccn2cc(C=NNc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)nc12 ZINC000826378556 607888085 /nfs/dbraw/zinc/88/80/85/607888085.db2.gz PRAFJCJIDOULHH-UHFFFAOYSA-N -1 3 390.304 3.118 20 30 GGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000826400615 607915971 /nfs/dbraw/zinc/91/59/71/607915971.db2.gz CJIGKAMWUXDPIK-WMZJFQQLSA-N -1 3 377.379 3.029 20 30 GGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000826400615 607915972 /nfs/dbraw/zinc/91/59/72/607915972.db2.gz CJIGKAMWUXDPIK-WMZJFQQLSA-N -1 3 377.379 3.029 20 30 GGEDHM C=C(C)[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)OCC ZINC000823873563 607920448 /nfs/dbraw/zinc/92/04/48/607920448.db2.gz NJRIUEBCAMNJJA-DGCLKSJQSA-N -1 3 375.498 3.363 20 30 GGEDHM C=C(C)[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2)OCC ZINC000823873563 607920449 /nfs/dbraw/zinc/92/04/49/607920449.db2.gz NJRIUEBCAMNJJA-DGCLKSJQSA-N -1 3 375.498 3.363 20 30 GGEDHM CS[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826225062 607944767 /nfs/dbraw/zinc/94/47/67/607944767.db2.gz SBOBWZGMABOBBQ-MFKMUULPSA-N -1 3 384.490 3.308 20 30 GGEDHM CS[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826225062 607944768 /nfs/dbraw/zinc/94/47/68/607944768.db2.gz SBOBWZGMABOBBQ-MFKMUULPSA-N -1 3 384.490 3.308 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000823909791 607979388 /nfs/dbraw/zinc/97/93/88/607979388.db2.gz RBKZTSVIAJCJAI-INIZCTEOSA-N -1 3 391.475 3.269 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000823909791 607979389 /nfs/dbraw/zinc/97/93/89/607979389.db2.gz RBKZTSVIAJCJAI-INIZCTEOSA-N -1 3 391.475 3.269 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000823909990 607996031 /nfs/dbraw/zinc/99/60/31/607996031.db2.gz VHOBIIPCDVKMAT-IBGZPJMESA-N -1 3 389.463 3.111 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000823909990 607996032 /nfs/dbraw/zinc/99/60/32/607996032.db2.gz VHOBIIPCDVKMAT-IBGZPJMESA-N -1 3 389.463 3.111 20 30 GGEDHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825082087 608027973 /nfs/dbraw/zinc/02/79/73/608027973.db2.gz QBXKZLLLSWUEJD-NSHDSACASA-N -1 3 376.424 3.036 20 30 GGEDHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825082087 608027974 /nfs/dbraw/zinc/02/79/74/608027974.db2.gz QBXKZLLLSWUEJD-NSHDSACASA-N -1 3 376.424 3.036 20 30 GGEDHM N#C[C@@H](NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000826380387 608063758 /nfs/dbraw/zinc/06/37/58/608063758.db2.gz YLOCDLQRJJUCEN-OAHLLOKOSA-N -1 3 394.822 3.344 20 30 GGEDHM N#C[C@@H](NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000826380387 608063759 /nfs/dbraw/zinc/06/37/59/608063759.db2.gz YLOCDLQRJJUCEN-OAHLLOKOSA-N -1 3 394.822 3.344 20 30 GGEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824713663 608184682 /nfs/dbraw/zinc/18/46/82/608184682.db2.gz JNSOAVFCFWJLJJ-KUHUBIRLSA-N -1 3 391.431 3.446 20 30 GGEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824713663 608184683 /nfs/dbraw/zinc/18/46/83/608184683.db2.gz JNSOAVFCFWJLJJ-KUHUBIRLSA-N -1 3 391.431 3.446 20 30 GGEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2cc(Br)ccc21 ZINC000826476044 608387581 /nfs/dbraw/zinc/38/75/81/608387581.db2.gz ZNNBPYHOFYXLSS-BAQGIRSFSA-N -1 3 389.234 3.349 20 30 GGEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2cc(Br)ccc21 ZINC000826476044 608387583 /nfs/dbraw/zinc/38/75/83/608387583.db2.gz ZNNBPYHOFYXLSS-BAQGIRSFSA-N -1 3 389.234 3.349 20 30 GGEDHM C=CCOc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000823932323 608479305 /nfs/dbraw/zinc/47/93/05/608479305.db2.gz USTTVJDTZVXLLE-UHFFFAOYSA-N -1 3 387.443 3.361 20 30 GGEDHM C=CCOc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000823932323 608479307 /nfs/dbraw/zinc/47/93/07/608479307.db2.gz USTTVJDTZVXLLE-UHFFFAOYSA-N -1 3 387.443 3.361 20 30 GGEDHM COc1cc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1SC ZINC000826177824 608534483 /nfs/dbraw/zinc/53/44/83/608534483.db2.gz XDNQEAXHOOHFBO-UHFFFAOYSA-N -1 3 389.872 3.482 20 30 GGEDHM COc1cc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1SC ZINC000826177824 608534484 /nfs/dbraw/zinc/53/44/84/608534484.db2.gz XDNQEAXHOOHFBO-UHFFFAOYSA-N -1 3 389.872 3.482 20 30 GGEDHM Cc1c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cnn1-c1ccccc1 ZINC000823958757 608538474 /nfs/dbraw/zinc/53/84/74/608538474.db2.gz VBZRZSJNNCIXQT-UHFFFAOYSA-N -1 3 393.842 3.245 20 30 GGEDHM Cc1c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cnn1-c1ccccc1 ZINC000823958757 608538475 /nfs/dbraw/zinc/53/84/75/608538475.db2.gz VBZRZSJNNCIXQT-UHFFFAOYSA-N -1 3 393.842 3.245 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn(C)c1-c1ccccc1 ZINC000823914611 608538913 /nfs/dbraw/zinc/53/89/13/608538913.db2.gz JRMAFFPVITZFEU-UHFFFAOYSA-N -1 3 399.458 3.096 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnn(C)c1-c1ccccc1 ZINC000823914611 608538914 /nfs/dbraw/zinc/53/89/14/608538914.db2.gz JRMAFFPVITZFEU-UHFFFAOYSA-N -1 3 399.458 3.096 20 30 GGEDHM CCN(Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C[C@@H](C)C#N ZINC000825435330 608598632 /nfs/dbraw/zinc/59/86/32/608598632.db2.gz UMOYPOAEQITFTN-INIZCTEOSA-N -1 3 376.464 3.427 20 30 GGEDHM C=CCN(Cc1cnc([C@@H]2CCCO2)s1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914746 608632424 /nfs/dbraw/zinc/63/24/24/608632424.db2.gz MUUGDLKKVDGLEM-KRWDZBQOSA-N -1 3 382.493 3.363 20 30 GGEDHM C=CCN(Cc1cnc([C@@H]2CCCO2)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914746 608632427 /nfs/dbraw/zinc/63/24/27/608632427.db2.gz MUUGDLKKVDGLEM-KRWDZBQOSA-N -1 3 382.493 3.363 20 30 GGEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1ccncc1 ZINC000823937432 608668785 /nfs/dbraw/zinc/66/87/85/608668785.db2.gz XQYNNJFXYQNSTF-UHFFFAOYSA-N -1 3 394.439 3.138 20 30 GGEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1ccncc1 ZINC000823937432 608668786 /nfs/dbraw/zinc/66/87/86/608668786.db2.gz XQYNNJFXYQNSTF-UHFFFAOYSA-N -1 3 394.439 3.138 20 30 GGEDHM C[C@@H]1CCc2c(sc(NC(=O)Cc3ccccc3CC#N)c2-c2nnn[n-]2)C1 ZINC000824968469 609143048 /nfs/dbraw/zinc/14/30/48/609143048.db2.gz PHVRKDNAPXBPCB-GFCCVEGCSA-N -1 3 392.488 3.300 20 30 GGEDHM C[C@@H]1CCc2c(sc(NC(=O)Cc3ccccc3CC#N)c2-c2nn[n-]n2)C1 ZINC000824968469 609143049 /nfs/dbraw/zinc/14/30/49/609143049.db2.gz PHVRKDNAPXBPCB-GFCCVEGCSA-N -1 3 392.488 3.300 20 30 GGEDHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1-c1cccc(C#N)c1 ZINC000826261191 609145136 /nfs/dbraw/zinc/14/51/36/609145136.db2.gz VEFOOUQXMWRSAA-AWEZNQCLSA-N -1 3 399.414 3.151 20 30 GGEDHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1-c1cccc(C#N)c1 ZINC000826261191 609145138 /nfs/dbraw/zinc/14/51/38/609145138.db2.gz VEFOOUQXMWRSAA-AWEZNQCLSA-N -1 3 399.414 3.151 20 30 GGEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000826234346 609166600 /nfs/dbraw/zinc/16/66/00/609166600.db2.gz RRQJDNVBVNGIGQ-UHFFFAOYSA-N -1 3 383.415 3.398 20 30 GGEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000826234346 609166602 /nfs/dbraw/zinc/16/66/02/609166602.db2.gz RRQJDNVBVNGIGQ-UHFFFAOYSA-N -1 3 383.415 3.398 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC000823914345 609179728 /nfs/dbraw/zinc/17/97/28/609179728.db2.gz GURLOVJJWGOBHX-HNNXBMFYSA-N -1 3 392.463 3.267 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC000823914345 609179730 /nfs/dbraw/zinc/17/97/30/609179730.db2.gz GURLOVJJWGOBHX-HNNXBMFYSA-N -1 3 392.463 3.267 20 30 GGEDHM CCN(C(=O)Cc1ccccc1CC#N)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377242 609236900 /nfs/dbraw/zinc/23/69/00/609236900.db2.gz YTPHCHPTYHPKJE-UHFFFAOYSA-N -1 3 380.839 3.182 20 30 GGEDHM CCN(C(=O)Cc1ccccc1CC#N)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377242 609236901 /nfs/dbraw/zinc/23/69/01/609236901.db2.gz YTPHCHPTYHPKJE-UHFFFAOYSA-N -1 3 380.839 3.182 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccc(C#N)cc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359299 609272313 /nfs/dbraw/zinc/27/23/13/609272313.db2.gz BSEVSGCASXAUPF-CLFYSBASSA-N -1 3 399.389 3.174 20 30 GGEDHM Cn1cc(C=CC(=O)c2ccc(C#N)cc2F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359299 609272314 /nfs/dbraw/zinc/27/23/14/609272314.db2.gz BSEVSGCASXAUPF-CLFYSBASSA-N -1 3 399.389 3.174 20 30 GGEDHM N#Cc1ccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(Br)c1 ZINC000826384691 609370034 /nfs/dbraw/zinc/37/00/34/609370034.db2.gz FYHFJCIXQHBQCY-UHFFFAOYSA-N -1 3 395.264 3.280 20 30 GGEDHM N#Cc1cccc(C2(NCc3ccc(-c4nn[n-]n4)cc3Br)CC2)c1 ZINC000826386861 609370047 /nfs/dbraw/zinc/37/00/47/609370047.db2.gz VRQRHKVQSDJKRO-UHFFFAOYSA-N -1 3 395.264 3.280 20 30 GGEDHM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824516089 609454423 /nfs/dbraw/zinc/45/44/23/609454423.db2.gz VXXIHNRZUKPDCV-CYBMUJFWSA-N -1 3 383.415 3.224 20 30 GGEDHM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824516089 609454426 /nfs/dbraw/zinc/45/44/26/609454426.db2.gz VXXIHNRZUKPDCV-CYBMUJFWSA-N -1 3 383.415 3.224 20 30 GGEDHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824507228 609454869 /nfs/dbraw/zinc/45/48/69/609454869.db2.gz VVSXAEBUMVPBEL-CYBMUJFWSA-N -1 3 383.415 3.224 20 30 GGEDHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824507228 609454870 /nfs/dbraw/zinc/45/48/70/609454870.db2.gz VVSXAEBUMVPBEL-CYBMUJFWSA-N -1 3 383.415 3.224 20 30 GGEDHM Fc1ccccc1-c1n[nH]cc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826377688 609472128 /nfs/dbraw/zinc/47/21/28/609472128.db2.gz BKTYPMRWXUVMDW-UHFFFAOYSA-N -1 3 382.790 3.495 20 30 GGEDHM Fc1ccccc1-c1n[nH]cc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826377688 609472130 /nfs/dbraw/zinc/47/21/30/609472130.db2.gz BKTYPMRWXUVMDW-UHFFFAOYSA-N -1 3 382.790 3.495 20 30 GGEDHM C=C(C)COc1cc(CNc2cc(-c3nnn[n-]3)ccc2OC)ccc1OC ZINC000823878375 609482388 /nfs/dbraw/zinc/48/23/88/609482388.db2.gz WYPGMUGUSXWGAY-UHFFFAOYSA-N -1 3 381.436 3.451 20 30 GGEDHM C=C(C)COc1cc(CNc2cc(-c3nn[n-]n3)ccc2OC)ccc1OC ZINC000823878375 609482389 /nfs/dbraw/zinc/48/23/89/609482389.db2.gz WYPGMUGUSXWGAY-UHFFFAOYSA-N -1 3 381.436 3.451 20 30 GGEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccccc1C(C)(C)C#N ZINC000826162689 609485884 /nfs/dbraw/zinc/48/58/84/609485884.db2.gz NXGMFXLAZJVREB-UHFFFAOYSA-N -1 3 392.463 3.305 20 30 GGEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1C(C)(C)C#N ZINC000826162689 609485886 /nfs/dbraw/zinc/48/58/86/609485886.db2.gz NXGMFXLAZJVREB-UHFFFAOYSA-N -1 3 392.463 3.305 20 30 GGEDHM C=CCN(C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)c1ccccc1 ZINC000823903705 609516334 /nfs/dbraw/zinc/51/63/34/609516334.db2.gz HZLFBMRKYCZNDY-UHFFFAOYSA-N -1 3 385.431 3.194 20 30 GGEDHM C=CCN(C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)c1ccccc1 ZINC000823903705 609516337 /nfs/dbraw/zinc/51/63/37/609516337.db2.gz HZLFBMRKYCZNDY-UHFFFAOYSA-N -1 3 385.431 3.194 20 30 GGEDHM C=CCc1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000823937399 609533214 /nfs/dbraw/zinc/53/32/14/609533214.db2.gz WCUFRFNGJDRYCY-UHFFFAOYSA-N -1 3 376.825 3.016 20 30 GGEDHM C=CCc1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000823937399 609533216 /nfs/dbraw/zinc/53/32/16/609533216.db2.gz WCUFRFNGJDRYCY-UHFFFAOYSA-N -1 3 376.825 3.016 20 30 GGEDHM Cc1c(Cl)cnc(N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826237731 609563724 /nfs/dbraw/zinc/56/37/24/609563724.db2.gz JNXDXBTZNJHQIG-HOCLYGCPSA-N -1 3 379.855 3.500 20 30 GGEDHM Cc1c(Cl)cnc(N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826237731 609563726 /nfs/dbraw/zinc/56/37/26/609563726.db2.gz JNXDXBTZNJHQIG-HOCLYGCPSA-N -1 3 379.855 3.500 20 30 GGEDHM Cc1c(Cl)cnc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1C#N ZINC000544068823 650932224 /nfs/dbraw/zinc/93/22/24/650932224.db2.gz ZSMCSOCVJIRSPO-UHFFFAOYSA-N -1 3 391.305 3.020 20 30 GGEDHM COc1cccc([C@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000054770059 1406821503 /nfs/dbraw/zinc/82/15/03/1406821503.db2.gz YMSHSYDVGNJXIR-HXUWFJFHSA-N -1 3 379.460 3.168 20 30 GGEDHM Cc1ncc(CO)c(/C=N/CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1[O-] ZINC000005111106 1398415550 /nfs/dbraw/zinc/41/55/50/1398415550.db2.gz KGSBGCFCFGELKS-ODCIPOBUSA-N -1 3 398.341 3.046 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)Nc1ccccc1C(C)C ZINC000007673842 1398726229 /nfs/dbraw/zinc/72/62/29/1398726229.db2.gz NZYVTRIMUIWXGP-UHFFFAOYSA-N -1 3 395.459 3.101 20 30 GGEDHM CCCn1c(C)cc(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000007674033 1398726626 /nfs/dbraw/zinc/72/66/26/1398726626.db2.gz NYOCAVWHVKFINN-UHFFFAOYSA-N -1 3 397.475 3.050 20 30 GGEDHM C=CCOC(=O)c1sc2[n-]c(CC(=O)Nc3cccc(C)c3)nc(=O)c2c1C ZINC000055502882 1406984069 /nfs/dbraw/zinc/98/40/69/1406984069.db2.gz OOPOXSGMSVJCJD-UHFFFAOYSA-N -1 3 397.456 3.125 20 30 GGEDHM C=CCOC(=O)c1sc2[n-]c(CC(=O)Nc3ccccc3C)nc(=O)c2c1C ZINC000055502874 1406984297 /nfs/dbraw/zinc/98/42/97/1406984297.db2.gz TWAVZKZCWMCYME-UHFFFAOYSA-N -1 3 397.456 3.125 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009639854 1398861757 /nfs/dbraw/zinc/86/17/57/1398861757.db2.gz RJDUERVBKFMTKH-UHFFFAOYSA-N -1 3 393.443 3.476 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000015757396 1399190949 /nfs/dbraw/zinc/19/09/49/1399190949.db2.gz ZCTXFLFPVPTWKM-UHFFFAOYSA-N -1 3 386.455 3.421 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000015765641 1399191411 /nfs/dbraw/zinc/19/14/11/1399191411.db2.gz MFRJBWYPDKSITE-UHFFFAOYSA-N -1 3 391.393 3.473 20 30 GGEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000055580913 1407011267 /nfs/dbraw/zinc/01/12/67/1407011267.db2.gz KBIBXLVXUYRCJX-UHFFFAOYSA-N -1 3 389.477 3.420 20 30 GGEDHM Cc1c(C)n(Cc2ccco2)c(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1C#N ZINC000016721229 1399258444 /nfs/dbraw/zinc/25/84/44/1399258444.db2.gz GTBNEGCIAMNFFU-YBFXNURJSA-N -1 3 386.411 3.341 20 30 GGEDHM CC(C)NS(=O)(=O)Cc1ccccc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000017701592 1399288943 /nfs/dbraw/zinc/28/89/43/1399288943.db2.gz NTBSBDJHHPLUTL-RGVLZGJSSA-N -1 3 380.897 3.493 20 30 GGEDHM Cc1ccc(CSCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000018202219 1399306391 /nfs/dbraw/zinc/30/63/91/1399306391.db2.gz JMXKMVVMSKJOIG-UHFFFAOYSA-N -1 3 383.517 3.154 20 30 GGEDHM CCCCOC(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000019677794 1399334063 /nfs/dbraw/zinc/33/40/63/1399334063.db2.gz GSNCLZNJIWPLBN-UHFFFAOYSA-N -1 3 395.459 3.392 20 30 GGEDHM C[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000023417451 1399558502 /nfs/dbraw/zinc/55/85/02/1399558502.db2.gz CTUSLXNMQAFVPS-JTQLQIEISA-N -1 3 382.800 3.349 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(SC)c2)ccc1F ZINC000029060463 1400231550 /nfs/dbraw/zinc/23/15/50/1400231550.db2.gz VDNMAXKAEZLCIC-UHFFFAOYSA-N -1 3 380.466 3.264 20 30 GGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000055891403 1407120703 /nfs/dbraw/zinc/12/07/03/1407120703.db2.gz KCXYJTAVVPYRGT-UHFFFAOYSA-N -1 3 379.460 3.019 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCC)c(F)c2)ccc1F ZINC000055919283 1407134152 /nfs/dbraw/zinc/13/41/52/1407134152.db2.gz XHFIIEHOIRNJEG-UHFFFAOYSA-N -1 3 396.415 3.080 20 30 GGEDHM CCCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000056484272 1407346124 /nfs/dbraw/zinc/34/61/24/1407346124.db2.gz IMKRERQECNIPNG-UHFFFAOYSA-N -1 3 375.425 3.002 20 30 GGEDHM Cc1nc(C)c(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(=O)[n-]1 ZINC000043109137 1403709673 /nfs/dbraw/zinc/70/96/73/1403709673.db2.gz QBDQYCZGOYGXPZ-UHFFFAOYSA-N -1 3 388.427 3.019 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000044693864 1403985495 /nfs/dbraw/zinc/98/54/95/1403985495.db2.gz GCDWHCDFAHLQEU-MRXNPFEDSA-N -1 3 381.476 3.461 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000045197582 1404073310 /nfs/dbraw/zinc/07/33/10/1404073310.db2.gz UUVOVADWZOWUEC-UHFFFAOYSA-N -1 3 385.414 3.265 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2Cl)ccc1F ZINC000045301680 1404094750 /nfs/dbraw/zinc/09/47/50/1404094750.db2.gz JJGJZGNUMCWOLK-UHFFFAOYSA-N -1 3 396.871 3.216 20 30 GGEDHM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CC3 ZINC000045458263 1404125347 /nfs/dbraw/zinc/12/53/47/1404125347.db2.gz FYBBJRANKKGUAH-UHFFFAOYSA-N -1 3 388.471 3.171 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000046220951 1404335678 /nfs/dbraw/zinc/33/56/78/1404335678.db2.gz CQWHGQNBPFBLGR-UHFFFAOYSA-N -1 3 380.448 3.029 20 30 GGEDHM CN(c1ccccc1)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000046440187 1404415845 /nfs/dbraw/zinc/41/58/45/1404415845.db2.gz BTPMEHPMIRQHGR-IBGZPJMESA-N -1 3 391.452 3.397 20 30 GGEDHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C([O-])=C(C#N)c3ccccn3)cc2)C1 ZINC000046440346 1404415885 /nfs/dbraw/zinc/41/58/85/1404415885.db2.gz QOLAIBYEFYLRRJ-MDZRGWNJSA-N -1 3 397.500 3.238 20 30 GGEDHM CCN(CC)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000046440654 1404416812 /nfs/dbraw/zinc/41/68/12/1404416812.db2.gz IMNXULLTCKAMAX-MRXNPFEDSA-N -1 3 396.472 3.083 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000046715196 1404562292 /nfs/dbraw/zinc/56/22/92/1404562292.db2.gz XYLMCYASKBUPSS-UHFFFAOYSA-N -1 3 391.393 3.473 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000048196018 1405094473 /nfs/dbraw/zinc/09/44/73/1405094473.db2.gz RQMYEPWUBDECHV-UHFFFAOYSA-N -1 3 393.365 3.376 20 30 GGEDHM Cc1ccccc1-c1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n[nH]1 ZINC000051438678 1405812257 /nfs/dbraw/zinc/81/22/57/1405812257.db2.gz JXEWITDRJMOSPC-UHFFFAOYSA-N -1 3 375.432 3.133 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@H]1c1cccn1C ZINC000057817004 1407726686 /nfs/dbraw/zinc/72/66/86/1407726686.db2.gz DVWVLAVJLBNAEL-FQEVSTJZSA-N -1 3 380.492 3.278 20 30 GGEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)CCCCC2 ZINC000061432362 1408126748 /nfs/dbraw/zinc/12/67/48/1408126748.db2.gz NJZJBRDTGCSQDX-UHFFFAOYSA-N -1 3 382.445 3.289 20 30 GGEDHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CSCC#N)cc1 ZINC000063305001 1408333246 /nfs/dbraw/zinc/33/32/46/1408333246.db2.gz DUOQAERZQJOZSB-UHFFFAOYSA-N -1 3 389.502 3.300 20 30 GGEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000065308704 1408660202 /nfs/dbraw/zinc/66/02/02/1408660202.db2.gz OWRNPRRZRWSWNZ-UHFFFAOYSA-N -1 3 386.433 3.417 20 30 GGEDHM CCn1c2ccccc2nc1[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000065824868 1408736141 /nfs/dbraw/zinc/73/61/41/1408736141.db2.gz QYEWPLITLIQKOS-HNNXBMFYSA-N -1 3 391.475 3.043 20 30 GGEDHM CCCC(=O)Nc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000067500281 1409139349 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3.413 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000079294337 1409965460 /nfs/dbraw/zinc/96/54/60/1409965460.db2.gz FTDWWMQZTMCZQN-MRXNPFEDSA-N -1 3 399.516 3.065 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3c(s2)CCOC3)cc1Cl ZINC000103330307 1410849573 /nfs/dbraw/zinc/84/95/73/1410849573.db2.gz YSKFAKYVFZCGJX-GFCCVEGCSA-N -1 3 390.848 3.444 20 30 GGEDHM CCCN(CCC)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000103798288 1410875615 /nfs/dbraw/zinc/87/56/15/1410875615.db2.gz RLUOTWJKGKQJMD-SFHVURJKSA-N -1 3 385.489 3.382 20 30 GGEDHM CCCN(CCC)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000103798293 1410875647 /nfs/dbraw/zinc/87/56/47/1410875647.db2.gz RLUOTWJKGKQJMD-GOSISDBHSA-N -1 3 385.489 3.382 20 30 GGEDHM CC(C)(C)CN(CCC#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000104627186 1410916155 /nfs/dbraw/zinc/91/61/55/1410916155.db2.gz WXOHOMMGNOROOH-UHFFFAOYSA-N -1 3 397.516 3.304 20 30 GGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H](O)COc1ccc(F)c(F)c1 ZINC000105356268 1411057813 /nfs/dbraw/zinc/05/78/13/1411057813.db2.gz FPRIEVOKUFPCPF-TWCVRMSCSA-N -1 3 386.192 3.292 20 30 GGEDHM CN(C(=O)c1cccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1)c1ccccc1 ZINC000105759849 1411123234 /nfs/dbraw/zinc/12/32/34/1411123234.db2.gz CAJWTRVQAAZLRH-IBGZPJMESA-N -1 3 398.422 3.319 20 30 GGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1csc(I)c1 ZINC000107876526 1411426075 /nfs/dbraw/zinc/42/60/75/1411426075.db2.gz HOXJFAOLLOTIKW-LLVKDONJSA-N -1 3 396.209 3.314 20 30 GGEDHM COc1cccc(C[C@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000108365876 1411481103 /nfs/dbraw/zinc/48/11/03/1411481103.db2.gz QCXYNOSECYCBJP-GOSISDBHSA-N -1 3 393.487 3.038 20 30 GGEDHM Cc1ccc(-n2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c3c2CCCC3)cc1 ZINC000108624807 1411559907 /nfs/dbraw/zinc/55/99/07/1411559907.db2.gz CGZMRJAYBNZGDE-GOSISDBHSA-N -1 3 399.454 3.416 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1ccc2ncccc2c1 ZINC000109038649 1411668657 /nfs/dbraw/zinc/66/86/57/1411668657.db2.gz HPMCEUCBKJELDE-GOSISDBHSA-N -1 3 396.410 3.085 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000109207847 1411713637 /nfs/dbraw/zinc/71/36/37/1411713637.db2.gz DUVVTEBOVNPHQT-UHFFFAOYSA-N -1 3 392.286 3.462 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)ccc1F ZINC000109603855 1411797571 /nfs/dbraw/zinc/79/75/71/1411797571.db2.gz WYLAZKGFZKFKBA-UHFFFAOYSA-N -1 3 377.372 3.146 20 30 GGEDHM Cc1ccc(-c2cc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)n[nH]2)s1 ZINC000109821522 1411812231 /nfs/dbraw/zinc/81/22/31/1411812231.db2.gz UOXDFDHFTJKAKB-UHFFFAOYSA-N -1 3 381.461 3.195 20 30 GGEDHM CCc1cccc2c(CCNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c[nH]c21 ZINC000111046783 1411884289 /nfs/dbraw/zinc/88/42/89/1411884289.db2.gz QRODBYLEMORQQQ-UHFFFAOYSA-N -1 3 390.487 3.199 20 30 GGEDHM C=CC1CCN([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)CC1 ZINC000111256684 1411897911 /nfs/dbraw/zinc/89/79/11/1411897911.db2.gz DESQKQMTXJXEHY-GFCCVEGCSA-N -1 3 375.494 3.429 20 30 GGEDHM N#Cc1ccc(Cc2cnc(NC(=O)c3nnc4ccccc4c3[O-])s2)cc1 ZINC000111557175 1411990923 /nfs/dbraw/zinc/99/09/23/1411990923.db2.gz UPIRBIZWTADNDC-UHFFFAOYSA-N -1 3 387.424 3.094 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000113215423 1412277475 /nfs/dbraw/zinc/27/74/75/1412277475.db2.gz YDESWWRIOWCAEL-QHCPKHFHSA-N -1 3 377.488 3.376 20 30 GGEDHM N#CC(C(=O)Nc1ccccc1Oc1ccccc1)=C([O-])c1ccc2nncn2c1 ZINC000113652863 1412331450 /nfs/dbraw/zinc/33/14/50/1412331450.db2.gz GYTWKMCFQANKNH-QGZVFWFLSA-N -1 3 397.394 3.483 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000115235535 1412617868 /nfs/dbraw/zinc/61/78/68/1412617868.db2.gz BOXIHMNTRJSOSX-LJQANCHMSA-N -1 3 381.501 3.113 20 30 GGEDHM Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000115646818 1412744949 /nfs/dbraw/zinc/74/49/49/1412744949.db2.gz PKEXFHUCTRVXPI-UHFFFAOYSA-N -1 3 392.415 3.390 20 30 GGEDHM Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000115646818 1412744961 /nfs/dbraw/zinc/74/49/61/1412744961.db2.gz PKEXFHUCTRVXPI-UHFFFAOYSA-N -1 3 392.415 3.390 20 30 GGEDHM Cc1nc(-c2cnn(C)c2)sc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000115903730 1412813597 /nfs/dbraw/zinc/81/35/97/1412813597.db2.gz PEQDQSGPTMRRCX-OAHLLOKOSA-N -1 3 379.445 3.122 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)C(C)C)ccc1F ZINC000116827366 1412933771 /nfs/dbraw/zinc/93/37/71/1412933771.db2.gz KBYRSIPWONLRFI-IBGZPJMESA-N -1 3 390.480 3.417 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)ccc1F ZINC000118663395 1413203091 /nfs/dbraw/zinc/20/30/91/1413203091.db2.gz ABVUNDYAOOHLQL-KEYYUXOJSA-N -1 3 380.485 3.083 20 30 GGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1F ZINC000119469507 1413457483 /nfs/dbraw/zinc/45/74/83/1413457483.db2.gz VBZOMEDFWVOAID-UHFFFAOYSA-N -1 3 389.452 3.221 20 30 GGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc(OCC#N)c3)c2)n1 ZINC000119655339 1413517623 /nfs/dbraw/zinc/51/76/23/1413517623.db2.gz ZHCYNTXATXJBDD-UHFFFAOYSA-N -1 3 388.427 3.083 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(c2ccccc2)C(C)C)ccc1F ZINC000119874828 1413601162 /nfs/dbraw/zinc/60/11/62/1413601162.db2.gz YUQMNQDJHLLPIN-UHFFFAOYSA-N -1 3 376.453 3.345 20 30 GGEDHM N#CC(=C([O-])c1ccc(OCC(N)=O)cc1)c1nc2cc(Cl)ccc2s1 ZINC000119993884 1413646169 /nfs/dbraw/zinc/64/61/69/1413646169.db2.gz NEMPCZXYIRITIU-ZDUSSCGKSA-N -1 3 385.832 3.304 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3Cl)c2)cc1 ZINC000120464446 1413823884 /nfs/dbraw/zinc/82/38/84/1413823884.db2.gz POVNQYYMHLOVLQ-MRXNPFEDSA-N -1 3 394.818 3.495 20 30 GGEDHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000121004259 1413974028 /nfs/dbraw/zinc/97/40/28/1413974028.db2.gz WELYSRQHSYKKHY-UHFFFAOYSA-N -1 3 388.398 3.186 20 30 GGEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccn1 ZINC000121180054 1414035184 /nfs/dbraw/zinc/03/51/84/1414035184.db2.gz BTADXBKLLIPOSS-FQEVSTJZSA-N -1 3 397.431 3.169 20 30 GGEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccccn1 ZINC000121212387 1414045443 /nfs/dbraw/zinc/04/54/43/1414045443.db2.gz JSUVRGWAOHWSNM-HXUWFJFHSA-N -1 3 397.431 3.169 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000121385475 1414103617 /nfs/dbraw/zinc/10/36/17/1414103617.db2.gz AEZPSMRWJKLVCK-RXVVDRJESA-N -1 3 377.488 3.324 20 30 GGEDHM COc1ccc2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c(C)nc2c1 ZINC000122073197 1414355507 /nfs/dbraw/zinc/35/55/07/1414355507.db2.gz PIUFURBMJPDXJM-KRWDZBQOSA-N -1 3 375.432 3.360 20 30 GGEDHM CC[C@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000122189072 1414383681 /nfs/dbraw/zinc/38/36/81/1414383681.db2.gz CPSMALYJFWVMSD-CYBMUJFWSA-N -1 3 376.409 3.394 20 30 GGEDHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(F)c1 ZINC000122535515 1414492956 /nfs/dbraw/zinc/49/29/56/1414492956.db2.gz SDAXTMLMBHWYBB-UHFFFAOYSA-N -1 3 376.409 3.453 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000122816799 1414572555 /nfs/dbraw/zinc/57/25/55/1414572555.db2.gz TVDQGZKDVOPDDO-SFTDATJTSA-N -1 3 393.487 3.050 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000123265807 1414682029 /nfs/dbraw/zinc/68/20/29/1414682029.db2.gz NZSARNKBEXICSM-UHFFFAOYSA-N -1 3 381.476 3.242 20 30 GGEDHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000123716247 1414814437 /nfs/dbraw/zinc/81/44/37/1414814437.db2.gz DZFGPMIOADBYJO-UHFFFAOYSA-N -1 3 385.228 3.452 20 30 GGEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1OCc1cnn(C)c1 ZINC000123795794 1414825827 /nfs/dbraw/zinc/82/58/27/1414825827.db2.gz MIPBJNDWYDFSKM-OAHLLOKOSA-N -1 3 382.445 3.263 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cnc(-c2cccs2)o1 ZINC000124536431 1414989432 /nfs/dbraw/zinc/98/94/32/1414989432.db2.gz JXNGXLOJTXPYNM-UHFFFAOYSA-N -1 3 383.429 3.256 20 30 GGEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(N3CCCS3(=O)=O)cc2)n1 ZINC000177766701 1428853714 /nfs/dbraw/zinc/85/37/14/1428853714.db2.gz FVABOWZCSKYGLT-HNNXBMFYSA-N -1 3 389.502 3.296 20 30 GGEDHM C#CCOc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000124877960 1415064887 /nfs/dbraw/zinc/06/48/87/1415064887.db2.gz GVWAVYRKUWXNRF-UHFFFAOYSA-N -1 3 375.222 3.488 20 30 GGEDHM C#CCOc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000124930988 1415074969 /nfs/dbraw/zinc/07/49/69/1415074969.db2.gz ZJSITVPURNFVQG-UHFFFAOYSA-N -1 3 375.222 3.488 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1cccc(Cl)c1 ZINC000125243760 1415139541 /nfs/dbraw/zinc/13/95/41/1415139541.db2.gz VCVZPFCRFVOMCK-OAHLLOKOSA-N -1 3 379.807 3.190 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000125700736 1415257555 /nfs/dbraw/zinc/25/75/55/1415257555.db2.gz UFDXMPKMXJJJHI-OAHLLOKOSA-N -1 3 390.443 3.328 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000126465400 1415460936 /nfs/dbraw/zinc/46/09/36/1415460936.db2.gz STSIWJGJEXXBBJ-QUCCMNQESA-N -1 3 397.519 3.327 20 30 GGEDHM N#Cc1ncn(Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)c1C#N ZINC000126473067 1415463686 /nfs/dbraw/zinc/46/36/86/1415463686.db2.gz XLGBTUWBVUWNQR-UHFFFAOYSA-N -1 3 392.831 3.293 20 30 GGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000127177106 1415679166 /nfs/dbraw/zinc/67/91/66/1415679166.db2.gz XWASQTHJRQEIOT-SFHVURJKSA-N -1 3 394.818 3.495 20 30 GGEDHM CC(=O)Nc1cccc([C@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000127490103 1415800066 /nfs/dbraw/zinc/80/00/66/1415800066.db2.gz WIHLECTYAJVPFK-AWEZNQCLSA-N -1 3 381.432 3.059 20 30 GGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cccc(OCC(F)F)n1 ZINC000127872688 1415867451 /nfs/dbraw/zinc/86/74/51/1415867451.db2.gz LPZOHARCPUGTEI-SNVBAGLBSA-N -1 3 397.740 3.479 20 30 GGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cccc(OCC(F)F)n1 ZINC000127872958 1415867578 /nfs/dbraw/zinc/86/75/78/1415867578.db2.gz LPZOHARCPUGTEI-JTQLQIEISA-N -1 3 397.740 3.479 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1noc(-c2ccccc2)n1 ZINC000128266520 1415951068 /nfs/dbraw/zinc/95/10/68/1415951068.db2.gz XKOXTXPHUWRJHL-LLVKDONJSA-N -1 3 388.836 3.301 20 30 GGEDHM C#CCNC(=O)[C@H](C)S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000128570633 1416016161 /nfs/dbraw/zinc/01/61/61/1416016161.db2.gz VKWRSEVWVSSFTF-MNOVXSKESA-N -1 3 387.486 3.177 20 30 GGEDHM C#CCNC(=O)[C@@H](C)S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000128571024 1416016602 /nfs/dbraw/zinc/01/66/02/1416016602.db2.gz VKWRSEVWVSSFTF-GHMZBOCLSA-N -1 3 387.486 3.177 20 30 GGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(C#N)[nH]3)cc2)cc1 ZINC000129567450 1416229866 /nfs/dbraw/zinc/22/98/66/1416229866.db2.gz SQWPFNXJEAFCKI-UHFFFAOYSA-N -1 3 380.429 3.248 20 30 GGEDHM Cc1cccc([C@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)c2ccccn2)c1 ZINC000129891515 1416280876 /nfs/dbraw/zinc/28/08/76/1416280876.db2.gz ZSRQVOJVVIDTHV-FQEVSTJZSA-N -1 3 381.432 3.469 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccc(Cl)cc2)c1 ZINC000129987855 1416296766 /nfs/dbraw/zinc/29/67/66/1416296766.db2.gz YIYBAPSSOFAHEA-INIZCTEOSA-N -1 3 394.818 3.495 20 30 GGEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000130427756 1416376375 /nfs/dbraw/zinc/37/63/75/1416376375.db2.gz NBLOEBIGIPOTOI-IINYFYTJSA-N -1 3 391.371 3.364 20 30 GGEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1 ZINC000130468972 1416382796 /nfs/dbraw/zinc/38/27/96/1416382796.db2.gz KSXLIWIUVGZHEV-KZULUSFZSA-N -1 3 392.502 3.439 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C3CC3)n(C(C)(C)C)n2)cc1 ZINC000131826201 1416629593 /nfs/dbraw/zinc/62/95/93/1416629593.db2.gz ICPMUOIRLHVWAU-INIZCTEOSA-N -1 3 380.448 3.485 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)c(F)c1 ZINC000132126868 1416702587 /nfs/dbraw/zinc/70/25/87/1416702587.db2.gz FWKFLGXKDZZZHW-IBGZPJMESA-N -1 3 385.395 3.299 20 30 GGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000132643098 1416799015 /nfs/dbraw/zinc/79/90/15/1416799015.db2.gz ZLGWUIDOHTUVEF-CQSZACIVSA-N -1 3 388.177 3.318 20 30 GGEDHM CCCOc1ccc2c(c1)CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2 ZINC000132644836 1416799066 /nfs/dbraw/zinc/79/90/66/1416799066.db2.gz IOXIMUZOQYJVMV-UHFFFAOYSA-N -1 3 393.487 3.170 20 30 GGEDHM CCc1ccc([O-])c(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000133303666 1416876571 /nfs/dbraw/zinc/87/65/71/1416876571.db2.gz LMXGLYCTVWZWIH-UHFFFAOYSA-N -1 3 386.455 3.337 20 30 GGEDHM Cc1nc(C)c(CCC(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c(=O)[n-]1 ZINC000133745811 1416955514 /nfs/dbraw/zinc/95/55/14/1416955514.db2.gz MRZJORODIZTGFF-UHFFFAOYSA-N -1 3 382.508 3.030 20 30 GGEDHM C=CCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccccc1 ZINC000133953178 1417000856 /nfs/dbraw/zinc/00/08/56/1417000856.db2.gz WUCKGDSYXIMFMQ-QGZVFWFLSA-N -1 3 376.453 3.171 20 30 GGEDHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)CCO1 ZINC000135326286 1417208166 /nfs/dbraw/zinc/20/81/66/1417208166.db2.gz UORFNZVDZOQOLQ-ZDUSSCGKSA-N -1 3 391.880 3.238 20 30 GGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccnc(OCC(F)F)c1 ZINC000136655966 1417335886 /nfs/dbraw/zinc/33/58/86/1417335886.db2.gz UYVQNSIYHXHFTA-LLVKDONJSA-N -1 3 397.740 3.479 20 30 GGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccnc(OCC(F)F)c1 ZINC000136655929 1417335921 /nfs/dbraw/zinc/33/59/21/1417335921.db2.gz UYVQNSIYHXHFTA-NSHDSACASA-N -1 3 397.740 3.479 20 30 GGEDHM Cc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(OC(C)C)c1 ZINC000150926123 1417836618 /nfs/dbraw/zinc/83/66/18/1417836618.db2.gz GAXMGJDHRUUHAZ-UHFFFAOYSA-N -1 3 381.476 3.208 20 30 GGEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000150973999 1417846707 /nfs/dbraw/zinc/84/67/07/1417846707.db2.gz AMKFFDCPKNIXRY-UHFFFAOYSA-N -1 3 375.413 3.297 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000152214393 1418175037 /nfs/dbraw/zinc/17/50/37/1418175037.db2.gz YRNLYACPGTXMIS-UHFFFAOYSA-N -1 3 393.365 3.063 20 30 GGEDHM N#CC(=C([O-])c1ccc(=O)n(CCOc2ccccc2Cl)c1)c1ccccn1 ZINC000152265537 1418189111 /nfs/dbraw/zinc/18/91/11/1418189111.db2.gz UQPDQEWNEJODNM-MRXNPFEDSA-N -1 3 393.830 3.466 20 30 GGEDHM Cc1cc(F)ccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1 ZINC000179488039 1429390992 /nfs/dbraw/zinc/39/09/92/1429390992.db2.gz AOEMELKWSDHCEX-HNNXBMFYSA-N -1 3 397.797 3.329 20 30 GGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(-c3ccc(F)cc3C)nn2)cc1 ZINC000179488300 1429391136 /nfs/dbraw/zinc/39/11/36/1429391136.db2.gz OSCQOJNJMHXEMV-KRWDZBQOSA-N -1 3 391.406 3.238 20 30 GGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccnc(OCC(F)F)c1 ZINC000179611029 1429470355 /nfs/dbraw/zinc/47/03/55/1429470355.db2.gz OFQXZHCCNSWFCK-ZDUSSCGKSA-N -1 3 379.750 3.340 20 30 GGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000153287925 1422442682 /nfs/dbraw/zinc/44/26/82/1422442682.db2.gz OXDWFFNIDLRGBN-HNNXBMFYSA-N -1 3 389.371 3.050 20 30 GGEDHM Cc1cnn(-c2ccc(C)cc2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000153893306 1422806719 /nfs/dbraw/zinc/80/67/19/1422806719.db2.gz KZDNHOJGINGPJO-UHFFFAOYSA-N -1 3 389.459 3.237 20 30 GGEDHM C[C@H]([N-]C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(F)c1F ZINC000154856677 1423056460 /nfs/dbraw/zinc/05/64/60/1423056460.db2.gz ZLDKJPZZVRIJOY-YFKPBYRVSA-N -1 3 394.246 3.476 20 30 GGEDHM COCCOc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000179902080 1429632364 /nfs/dbraw/zinc/63/23/64/1429632364.db2.gz SIYFHOVJTLDPIS-CYBMUJFWSA-N -1 3 386.358 3.342 20 30 GGEDHM c1ccc(CCCNN=C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000738428572 1423535230 /nfs/dbraw/zinc/53/52/30/1423535230.db2.gz OJZANUYWQBWWIO-UHFFFAOYSA-N -1 3 389.507 3.041 20 30 GGEDHM c1ccc(CCCNN=C2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000738428572 1423535235 /nfs/dbraw/zinc/53/52/35/1423535235.db2.gz OJZANUYWQBWWIO-UHFFFAOYSA-N -1 3 389.507 3.041 20 30 GGEDHM C=CCN(CCCn1c2ccccc2[nH]c1=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823903699 1423684113 /nfs/dbraw/zinc/68/41/13/1423684113.db2.gz HUYHYDWBQDDVJH-UHFFFAOYSA-N -1 3 389.463 3.000 20 30 GGEDHM C=CCN(CCCn1c2ccccc2[nH]c1=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823903699 1423684116 /nfs/dbraw/zinc/68/41/16/1423684116.db2.gz HUYHYDWBQDDVJH-UHFFFAOYSA-N -1 3 389.463 3.000 20 30 GGEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(C#N)c(Cl)c1 ZINC000156581478 1423831842 /nfs/dbraw/zinc/83/18/42/1423831842.db2.gz NHMSKSXTIYSJFJ-UHFFFAOYSA-N -1 3 382.851 3.374 20 30 GGEDHM CCOc1ccccc1[C@H](CC)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000156604291 1423835208 /nfs/dbraw/zinc/83/52/08/1423835208.db2.gz FNAQFMBDCTVLRO-IBGZPJMESA-N -1 3 381.476 3.462 20 30 GGEDHM CCO[C@H]1C[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000156749129 1423858738 /nfs/dbraw/zinc/85/87/38/1423858738.db2.gz HZVGRGORSJKJHU-UXHICEINSA-N -1 3 399.535 3.382 20 30 GGEDHM COc1ccccc1-c1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000158625626 1424305054 /nfs/dbraw/zinc/30/50/54/1424305054.db2.gz QQWFSFYKACXTFO-HNNXBMFYSA-N -1 3 385.427 3.472 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000159271957 1424467027 /nfs/dbraw/zinc/46/70/27/1424467027.db2.gz NCHPNYOMFBVYDV-DYESRHJHSA-N -1 3 393.487 3.080 20 30 GGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCCCC#N ZINC000180127870 1429749894 /nfs/dbraw/zinc/74/98/94/1429749894.db2.gz OOMJWBNTLZPZEV-UHFFFAOYSA-N -1 3 376.409 3.396 20 30 GGEDHM CC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000162137224 1424819229 /nfs/dbraw/zinc/81/92/29/1424819229.db2.gz SKGOZJCETBELTD-SFHVURJKSA-N -1 3 375.425 3.049 20 30 GGEDHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC000170900122 1425385077 /nfs/dbraw/zinc/38/50/77/1425385077.db2.gz FFDVNQQPITXZKK-UHFFFAOYSA-N -1 3 397.378 3.130 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000171225888 1425549572 /nfs/dbraw/zinc/54/95/72/1425549572.db2.gz DHCPPJMYDHWBGC-JOCHJYFZSA-N -1 3 386.455 3.097 20 30 GGEDHM N#CC(=C([O-])c1cccc2c1OCC(=O)N2)c1nc2ccccc2n1C(F)F ZINC000171567387 1425738519 /nfs/dbraw/zinc/73/85/19/1425738519.db2.gz KRWCLPPCDAKQQG-NSHDSACASA-N -1 3 382.326 3.252 20 30 GGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000172123964 1425905046 /nfs/dbraw/zinc/90/50/46/1425905046.db2.gz XWURMJKVPBSUCQ-KRWDZBQOSA-N -1 3 382.445 3.395 20 30 GGEDHM Cc1nc(-c2cnn(C)c2)sc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000172185966 1425938513 /nfs/dbraw/zinc/93/85/13/1425938513.db2.gz AARVYVSGLAYREN-CQSZACIVSA-N -1 3 399.863 3.467 20 30 GGEDHM N#Cc1cccc(COc2cccc([N-]S(=O)(=O)C[C@H]3CCCCO3)c2)c1 ZINC000172590323 1426102058 /nfs/dbraw/zinc/10/20/58/1426102058.db2.gz LHYHRHUTSPPBFF-HXUWFJFHSA-N -1 3 386.473 3.448 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000173225473 1426409962 /nfs/dbraw/zinc/40/99/62/1426409962.db2.gz FITZOGFTOIOLNL-CQSZACIVSA-N -1 3 397.479 3.104 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000173233399 1426419766 /nfs/dbraw/zinc/41/97/66/1426419766.db2.gz UTKYASQUHVFTFJ-QGZVFWFLSA-N -1 3 395.528 3.437 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)ccc1F ZINC000174004202 1426938092 /nfs/dbraw/zinc/93/80/92/1426938092.db2.gz LKQBBIGCMPCDGL-AUUYWEPGSA-N -1 3 388.464 3.123 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)ccc1F ZINC000174004211 1426938135 /nfs/dbraw/zinc/93/81/35/1426938135.db2.gz LKQBBIGCMPCDGL-IFXJQAMLSA-N -1 3 388.464 3.123 20 30 GGEDHM Cc1nn(-c2ccc(Cl)cc2)cc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000174011133 1426942220 /nfs/dbraw/zinc/94/22/20/1426942220.db2.gz FILCTIPYKNDCJR-HNNXBMFYSA-N -1 3 379.807 3.190 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000174056048 1426976764 /nfs/dbraw/zinc/97/67/64/1426976764.db2.gz CJYFKBIQMISDCW-UHFFFAOYSA-N -1 3 396.878 3.290 20 30 GGEDHM N#CCC1(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000174756616 1427350697 /nfs/dbraw/zinc/35/06/97/1427350697.db2.gz DCGSNTWEKXTKBH-UHFFFAOYSA-N -1 3 388.420 3.477 20 30 GGEDHM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1F ZINC000174771455 1427358519 /nfs/dbraw/zinc/35/85/19/1427358519.db2.gz PCTJCJBJCNZLDE-HNNXBMFYSA-N -1 3 376.409 3.410 20 30 GGEDHM CC[C@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)Oc1ccccc1C ZINC000174988437 1427481514 /nfs/dbraw/zinc/48/15/14/1427481514.db2.gz BFYBZUFZLUAXCY-QGZVFWFLSA-N -1 3 381.476 3.078 20 30 GGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)cc1 ZINC000175160095 1427574094 /nfs/dbraw/zinc/57/40/94/1427574094.db2.gz KSEARCLOCVAYSB-UHFFFAOYSA-N -1 3 380.429 3.248 20 30 GGEDHM CCO[C@@H]1C[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(CC)CC ZINC000175241770 1427622651 /nfs/dbraw/zinc/62/26/51/1427622651.db2.gz OMXUVKHEPCKZBJ-RTBURBONSA-N -1 3 387.524 3.238 20 30 GGEDHM CCc1nnc(-c2cccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2)o1 ZINC000175398675 1427732283 /nfs/dbraw/zinc/73/22/83/1427732283.db2.gz ZYLXLMVJLWIPEX-UHFFFAOYSA-N -1 3 391.431 3.047 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000176181342 1428145719 /nfs/dbraw/zinc/14/57/19/1428145719.db2.gz SUZMFGGJHUEVTK-GTJPDFRWSA-N -1 3 381.451 3.375 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735425667 1428196376 /nfs/dbraw/zinc/19/63/76/1428196376.db2.gz DKRDLJXHKPRABO-CABCVRRESA-N -1 3 396.520 3.182 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735425667 1428196381 /nfs/dbraw/zinc/19/63/81/1428196381.db2.gz DKRDLJXHKPRABO-CABCVRRESA-N -1 3 396.520 3.182 20 30 GGEDHM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3nn(C(C)C)cc3C#N)no2)c1 ZINC000180201355 1429800256 /nfs/dbraw/zinc/80/02/56/1429800256.db2.gz VXDMYDIBVRFOPM-UHFFFAOYSA-N -1 3 393.403 3.358 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1(C)CCCc2ccccc21 ZINC000182012664 1430396151 /nfs/dbraw/zinc/39/61/51/1430396151.db2.gz MRFKMKBOUBBFJX-QHCPKHFHSA-N -1 3 377.488 3.206 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000182437202 1430467599 /nfs/dbraw/zinc/46/75/99/1430467599.db2.gz GZOXWLZXUQFAHO-ICSRJNTNSA-N -1 3 399.878 3.096 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000182437142 1430467791 /nfs/dbraw/zinc/46/77/91/1430467791.db2.gz GZOXWLZXUQFAHO-UYAOXDASSA-N -1 3 399.878 3.096 20 30 GGEDHM N#Cc1cccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000183144834 1430628039 /nfs/dbraw/zinc/62/80/39/1430628039.db2.gz DEJNGZXKDBVPIJ-QFIPXVFZSA-N -1 3 399.450 3.441 20 30 GGEDHM CCN(C[C@H](C)C#N)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183376239 1430694181 /nfs/dbraw/zinc/69/41/81/1430694181.db2.gz LWIYPVFTEABGTA-OXQOHEQNSA-N -1 3 379.460 3.262 20 30 GGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3c[nH]c(C#N)c3)cc2)cc1 ZINC000183620908 1430756444 /nfs/dbraw/zinc/75/64/44/1430756444.db2.gz DPYSOGUXSCVPCA-UHFFFAOYSA-N -1 3 380.429 3.248 20 30 GGEDHM CC[C@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000183849284 1430804562 /nfs/dbraw/zinc/80/45/62/1430804562.db2.gz SGIXXVSZBMHGTQ-CQSZACIVSA-N -1 3 375.425 3.049 20 30 GGEDHM CC[C@@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000183849266 1430804661 /nfs/dbraw/zinc/80/46/61/1430804661.db2.gz SGIXXVSZBMHGTQ-AWEZNQCLSA-N -1 3 375.425 3.049 20 30 GGEDHM CC[C@H](CC#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000183925857 1430814260 /nfs/dbraw/zinc/81/42/60/1430814260.db2.gz XOFUYWWZFBJEIY-CQSZACIVSA-N -1 3 389.452 3.357 20 30 GGEDHM CCCCCCCCc1nnc([N-]C(=O)c2cn(CC3(C)COC3)nn2)s1 ZINC000183936930 1430815346 /nfs/dbraw/zinc/81/53/46/1430815346.db2.gz IFQDLXPTWGOVBT-UHFFFAOYSA-N -1 3 392.529 3.321 20 30 GGEDHM CC1CCN(c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cn2)CC1 ZINC000185258442 1431095455 /nfs/dbraw/zinc/09/54/55/1431095455.db2.gz VFPRRYFQPOLLKL-QGZVFWFLSA-N -1 3 378.480 3.126 20 30 GGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CN2CCCC2)ccc1C ZINC000185631788 1431189524 /nfs/dbraw/zinc/18/95/24/1431189524.db2.gz WAMUKFXWJPKXRE-UHFFFAOYSA-N -1 3 385.489 3.272 20 30 GGEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1ccco1 ZINC000185862942 1431255200 /nfs/dbraw/zinc/25/52/00/1431255200.db2.gz SNZKPGGUYAXCRE-HXUWFJFHSA-N -1 3 398.440 3.236 20 30 GGEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1ccco1 ZINC000185862921 1431255339 /nfs/dbraw/zinc/25/53/39/1431255339.db2.gz SNZKPGGUYAXCRE-FQEVSTJZSA-N -1 3 398.440 3.236 20 30 GGEDHM N#C[C@@]1([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)CCc2ccccc2C1 ZINC000186615619 1431469720 /nfs/dbraw/zinc/46/97/20/1431469720.db2.gz GBUUTCFGOSCOLX-OAQYLSRUSA-N -1 3 380.469 3.181 20 30 GGEDHM N#C[C@]1([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)CCc2ccccc2C1 ZINC000186615637 1431469818 /nfs/dbraw/zinc/46/98/18/1431469818.db2.gz GBUUTCFGOSCOLX-NRFANRHFSA-N -1 3 380.469 3.181 20 30 GGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1 ZINC000187121645 1431621911 /nfs/dbraw/zinc/62/19/11/1431621911.db2.gz DADHPKLUXZHLOY-UHFFFAOYSA-N -1 3 387.530 3.216 20 30 GGEDHM COCC(C)(C)N(Cc1ccccc1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000187534177 1431759340 /nfs/dbraw/zinc/75/93/40/1431759340.db2.gz XZMHSJBTMLJTHF-UHFFFAOYSA-N -1 3 395.503 3.250 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(OC(F)(F)F)c1 ZINC000187763415 1431809708 /nfs/dbraw/zinc/80/97/08/1431809708.db2.gz PTIDJDALXSIHFG-UHFFFAOYSA-N -1 3 380.322 3.300 20 30 GGEDHM CN1CC[C@H](CNC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189070331 1432039251 /nfs/dbraw/zinc/03/92/51/1432039251.db2.gz BDEIRWADBMUBLX-BEFAXECRSA-N -1 3 387.842 3.479 20 30 GGEDHM CCc1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c([O-])c1 ZINC000189225278 1432066745 /nfs/dbraw/zinc/06/67/45/1432066745.db2.gz SCQVHAGSGGLQPX-UHFFFAOYSA-N -1 3 392.415 3.037 20 30 GGEDHM N#Cc1cnc2c(F)cc(F)cc2c1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000189650226 1432190331 /nfs/dbraw/zinc/19/03/31/1432190331.db2.gz XEQCCWKMTIKHAR-UHFFFAOYSA-N -1 3 394.381 3.053 20 30 GGEDHM N#CC(=C([O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cnc2ccccc2n1 ZINC000190955716 1432537309 /nfs/dbraw/zinc/53/73/09/1432537309.db2.gz DNUYZSZUYPDMNJ-AWEZNQCLSA-N -1 3 384.355 3.214 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(OC)c2C)ccc1F ZINC000193262277 1432970171 /nfs/dbraw/zinc/97/01/71/1432970171.db2.gz KCTBRRKKEHBTHM-UHFFFAOYSA-N -1 3 392.452 3.168 20 30 GGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cncc(Br)c1 ZINC000193391514 1432989795 /nfs/dbraw/zinc/98/97/95/1432989795.db2.gz UUOPVAIRVPOECZ-ZDUSSCGKSA-N -1 3 378.613 3.459 20 30 GGEDHM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)s1 ZINC000193707375 1433044419 /nfs/dbraw/zinc/04/44/19/1433044419.db2.gz RLKQESWDRCZWLW-OAHLLOKOSA-N -1 3 398.488 3.067 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(F)F)c1ccc(F)cc1 ZINC000193860218 1433074454 /nfs/dbraw/zinc/07/44/54/1433074454.db2.gz FFQQOLAOYYUFQV-UHFFFAOYSA-N -1 3 377.366 3.233 20 30 GGEDHM COc1cccc(C2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)c1 ZINC000194704719 1433217701 /nfs/dbraw/zinc/21/77/01/1433217701.db2.gz FEOXXOUQINAUFV-UHFFFAOYSA-N -1 3 393.487 3.211 20 30 GGEDHM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000248768172 1433821380 /nfs/dbraw/zinc/82/13/80/1433821380.db2.gz OTBVURDMBYGXNQ-APWZRJJASA-N -1 3 397.500 3.443 20 30 GGEDHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(CC)C[C@@H](C)C#N)nc(=O)c2c1C ZINC000253556065 1433869342 /nfs/dbraw/zinc/86/93/42/1433869342.db2.gz JPYHZHOPWZUQGD-CMPLNLGQSA-N -1 3 376.482 3.425 20 30 GGEDHM CN(C)S(=O)(=O)c1ccccc1C/N=C\c1cc(Br)ccc1[O-] ZINC000255063568 1433875481 /nfs/dbraw/zinc/87/54/81/1433875481.db2.gz TYCLJFDYTJZDAA-WQRHYEAKSA-N -1 3 397.294 3.024 20 30 GGEDHM CNS(=O)(=O)c1ccc(C)c(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255084295 1433876028 /nfs/dbraw/zinc/87/60/28/1433876028.db2.gz URNPINHNHAFINK-UHFFFAOYSA-N -1 3 383.267 3.122 20 30 GGEDHM COc1ccc(O)c(C=Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000255338206 1433880795 /nfs/dbraw/zinc/88/07/95/1433880795.db2.gz YRPMZLAXTMYFPC-UHFFFAOYSA-N -1 3 380.441 3.367 20 30 GGEDHM O=S(=O)(CCC/N=C\c1cc(Br)ccc1[O-])c1ccccc1 ZINC000255470680 1433883247 /nfs/dbraw/zinc/88/32/47/1433883247.db2.gz HYWJGFLDHBIPQQ-PDGQHHTCSA-N -1 3 382.279 3.438 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(OCC(F)F)c1 ZINC000263993329 1434058955 /nfs/dbraw/zinc/05/89/55/1434058955.db2.gz OVTCOQDYVQOFLI-UHFFFAOYSA-N -1 3 389.402 3.169 20 30 GGEDHM CCOC(=O)Nc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000264414624 1434109545 /nfs/dbraw/zinc/10/95/45/1434109545.db2.gz GGKPJMVMZSVEHM-UHFFFAOYSA-N -1 3 383.404 3.382 20 30 GGEDHM COC(=O)[C@H]1CCCCN1C(=O)c1cccc(/N=C/c2cccc([O-])c2O)c1 ZINC000264888619 1434162412 /nfs/dbraw/zinc/16/24/12/1434162412.db2.gz ZTCLCJMRGHJQNP-NEIHUHTASA-N -1 3 382.416 3.016 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000265189686 1434196951 /nfs/dbraw/zinc/19/69/51/1434196951.db2.gz HVTXEUOIWQECED-KRWDZBQOSA-N -1 3 396.466 3.133 20 30 GGEDHM CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000266081214 1434302082 /nfs/dbraw/zinc/30/20/82/1434302082.db2.gz KXXHGIXDGWDPGQ-RTBURBONSA-N -1 3 385.508 3.452 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1[O-] ZINC000266329957 1434321166 /nfs/dbraw/zinc/32/11/66/1434321166.db2.gz KAVLZDFPCKZSDG-BYXSLANXSA-N -1 3 391.418 3.277 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000266449244 1434338226 /nfs/dbraw/zinc/33/82/26/1434338226.db2.gz BOOJYOUPXVAAOL-UHFFFAOYSA-N -1 3 394.431 3.112 20 30 GGEDHM Cc1ccc(N2CCOC2=O)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000266467662 1434340534 /nfs/dbraw/zinc/34/05/34/1434340534.db2.gz BASKMLPQESTPDM-UHFFFAOYSA-N -1 3 394.431 3.112 20 30 GGEDHM Cc1ccc(-c2nc(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)co2)cc1 ZINC000266651670 1434359195 /nfs/dbraw/zinc/35/91/95/1434359195.db2.gz OFJPTZNKCHLHIU-UHFFFAOYSA-N -1 3 390.443 3.488 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268217579 1434502569 /nfs/dbraw/zinc/50/25/69/1434502569.db2.gz JFOZXKQKDLNSQT-UHFFFAOYSA-N -1 3 388.811 3.086 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nnc(-c2ccccc2)s1 ZINC000268377949 1434516968 /nfs/dbraw/zinc/51/69/68/1434516968.db2.gz UGWFUEBTHKSFJT-UHFFFAOYSA-N -1 3 393.472 3.043 20 30 GGEDHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1C#N ZINC000269833328 1434679697 /nfs/dbraw/zinc/67/96/97/1434679697.db2.gz MALSQROWDXIFBE-UHFFFAOYSA-N -1 3 389.452 3.051 20 30 GGEDHM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000271765374 1434848913 /nfs/dbraw/zinc/84/89/13/1434848913.db2.gz BMAGZJPULRHZSF-XOBRGWDASA-N -1 3 385.439 3.240 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1noc(-c2ccccc2)n1 ZINC000273191933 1434971029 /nfs/dbraw/zinc/97/10/29/1434971029.db2.gz PYOHDBSHMVCRNE-UHFFFAOYSA-N -1 3 378.388 3.002 20 30 GGEDHM COc1ccc(C)cc1Cc1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000273661083 1435003122 /nfs/dbraw/zinc/00/31/22/1435003122.db2.gz FEUCPDQRHLPJNZ-UHFFFAOYSA-N -1 3 378.432 3.352 20 30 GGEDHM COc1ccc(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cc1F ZINC000273728411 1435008494 /nfs/dbraw/zinc/00/84/94/1435008494.db2.gz NIASHBYLEDWGAR-UHFFFAOYSA-N -1 3 382.395 3.182 20 30 GGEDHM CO[C@H](C)c1nc(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cs1 ZINC000273832740 1435019539 /nfs/dbraw/zinc/01/95/39/1435019539.db2.gz ALHQQZODLRRHSU-GFCCVEGCSA-N -1 3 399.476 3.199 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccnc(OC3CCC3)c2)no1 ZINC000273854579 1435022037 /nfs/dbraw/zinc/02/20/37/1435022037.db2.gz OIKHNIHUPQYELO-UHFFFAOYSA-N -1 3 391.431 3.437 20 30 GGEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C#N)C(C)(C)C)cs2)c1 ZINC000274035675 1435038650 /nfs/dbraw/zinc/03/86/50/1435038650.db2.gz QVHMDPRXWBBLAK-HNNXBMFYSA-N -1 3 386.477 3.006 20 30 GGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c1[O-] ZINC000274718081 1435087349 /nfs/dbraw/zinc/08/73/49/1435087349.db2.gz BJTFMFNVDAKAEI-UUCQMEITSA-N -1 3 379.382 3.305 20 30 GGEDHM CCOc1cc2c(cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)OCCO2 ZINC000275139223 1435118676 /nfs/dbraw/zinc/11/86/76/1435118676.db2.gz JTAYRZXNRHXEGR-UHFFFAOYSA-N -1 3 397.431 3.017 20 30 GGEDHM CC(=O)SCCCCCCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000275206274 1435122941 /nfs/dbraw/zinc/12/29/41/1435122941.db2.gz HHZOZRHJNWDAOH-UHFFFAOYSA-N -1 3 377.510 3.165 20 30 GGEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 ZINC000277644878 1435318833 /nfs/dbraw/zinc/31/88/33/1435318833.db2.gz YICWBZZQBSSGNT-KRWDZBQOSA-N -1 3 382.420 3.095 20 30 GGEDHM Cc1cc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)ccc1C#N ZINC000277710661 1435323685 /nfs/dbraw/zinc/32/36/85/1435323685.db2.gz WNHVUGVQNYSCLC-SFHVURJKSA-N -1 3 382.445 3.395 20 30 GGEDHM C=CCC[C@H](C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)c1ccccc1 ZINC000277794009 1435330987 /nfs/dbraw/zinc/33/09/87/1435330987.db2.gz SUWIGHZUQVCNED-SFHVURJKSA-N -1 3 396.491 3.437 20 30 GGEDHM C=CCC[C@H](C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)c1ccccc1 ZINC000277794009 1435330991 /nfs/dbraw/zinc/33/09/91/1435330991.db2.gz SUWIGHZUQVCNED-SFHVURJKSA-N -1 3 396.491 3.437 20 30 GGEDHM C=CC[C@@H](C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)c1ccccc1 ZINC000277855336 1435336521 /nfs/dbraw/zinc/33/65/21/1435336521.db2.gz XSOAGMVFSUJSOJ-QGZVFWFLSA-N -1 3 382.464 3.047 20 30 GGEDHM C=CC[C@@H](C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)c1ccccc1 ZINC000277855336 1435336524 /nfs/dbraw/zinc/33/65/24/1435336524.db2.gz XSOAGMVFSUJSOJ-QGZVFWFLSA-N -1 3 382.464 3.047 20 30 GGEDHM COc1ccc(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c(F)c1 ZINC000277947051 1435344781 /nfs/dbraw/zinc/34/47/81/1435344781.db2.gz QEHFYHYJABYKCR-UHFFFAOYSA-N -1 3 382.395 3.182 20 30 GGEDHM COc1c([O-])c(CN2CCC(Oc3cccc(C#N)c3)CC2)ccc1[N+](=O)[O-] ZINC000278181264 1435367210 /nfs/dbraw/zinc/36/72/10/1435367210.db2.gz GZFDVXNYSFBVHP-UHFFFAOYSA-N -1 3 383.404 3.224 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]([C@@H]1CCCOC1)C(F)(F)F ZINC000279272942 1435480293 /nfs/dbraw/zinc/48/02/93/1435480293.db2.gz UGWDYEUTEVXIOJ-MLGOLLRUSA-N -1 3 386.370 3.109 20 30 GGEDHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2)C[C@H](C)O1 ZINC000280009876 1435576228 /nfs/dbraw/zinc/57/62/28/1435576228.db2.gz SYPQYXUOWWJLSA-IYBDPMFKSA-N -1 3 385.489 3.167 20 30 GGEDHM CCC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](O)c1ccccc1 ZINC000280523689 1435672841 /nfs/dbraw/zinc/67/28/41/1435672841.db2.gz JEAJANBFCZWYEW-PZJWPPBQSA-N -1 3 381.476 3.227 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000281313274 1435803493 /nfs/dbraw/zinc/80/34/93/1435803493.db2.gz ZSUXRYPBXOFJLZ-UHFFFAOYSA-N -1 3 375.432 3.293 20 30 GGEDHM C[C@@H](NCCSCc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1F ZINC000824604386 1442384495 /nfs/dbraw/zinc/38/44/95/1442384495.db2.gz BXYSXAAOPGIIJZ-CYBMUJFWSA-N -1 3 382.468 3.461 20 30 GGEDHM C[C@@H](C#N)Oc1ccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000824035290 1443340823 /nfs/dbraw/zinc/34/08/23/1443340823.db2.gz WFFRCUXQCZYQRT-INIZCTEOSA-N -1 3 386.459 3.447 20 30 GGEDHM C[C@@H](C#N)Oc1ccc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000824035290 1443340826 /nfs/dbraw/zinc/34/08/26/1443340826.db2.gz WFFRCUXQCZYQRT-INIZCTEOSA-N -1 3 386.459 3.447 20 30 GGEDHM C[C@@H](NCCSCc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1F ZINC000824604712 1446316664 /nfs/dbraw/zinc/31/66/64/1446316664.db2.gz DDJCRCSKEUJEEO-CYBMUJFWSA-N -1 3 382.468 3.461 20 30 GGEDHM C[C@@H](NCCSCc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1F ZINC000824604712 1446316668 /nfs/dbraw/zinc/31/66/68/1446316668.db2.gz DDJCRCSKEUJEEO-CYBMUJFWSA-N -1 3 382.468 3.461 20 30 GGEDHM C#CCOc1ccc(C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OCC)cc1 ZINC000735381220 944642736 /nfs/dbraw/zinc/64/27/36/944642736.db2.gz RFPOVGBYELKUQK-UHFFFAOYSA-N -1 3 398.806 3.150 20 30 GGEDHM C#CCOc1ccc(C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OCC)cc1 ZINC000735381220 944642740 /nfs/dbraw/zinc/64/27/40/944642740.db2.gz RFPOVGBYELKUQK-UHFFFAOYSA-N -1 3 398.806 3.150 20 30 GGEDHM CC[C@H](C)Oc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000820876709 945581525 /nfs/dbraw/zinc/58/15/25/945581525.db2.gz SGNRUXLZMDNVJI-AWEZNQCLSA-N -1 3 380.452 3.176 20 30 GGEDHM CC[C@H](C)Oc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000820876709 945581532 /nfs/dbraw/zinc/58/15/32/945581532.db2.gz SGNRUXLZMDNVJI-AWEZNQCLSA-N -1 3 380.452 3.176 20 30 GGEDHM C=C(C)CN(CC)C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823877955 946498593 /nfs/dbraw/zinc/49/85/93/946498593.db2.gz KQVGPMLHZNBXOD-UHFFFAOYSA-N -1 3 385.415 3.402 20 30 GGEDHM C=C(C)CN(CC)C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823877955 946498601 /nfs/dbraw/zinc/49/86/01/946498601.db2.gz KQVGPMLHZNBXOD-UHFFFAOYSA-N -1 3 385.415 3.402 20 30 GGEDHM C=CCCC[C@H](C)NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823894811 946507485 /nfs/dbraw/zinc/50/74/85/946507485.db2.gz XKNXYHCIZZGBRI-HNNXBMFYSA-N -1 3 384.484 3.164 20 30 GGEDHM C=CCCC[C@H](C)NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823894811 946507495 /nfs/dbraw/zinc/50/74/95/946507495.db2.gz XKNXYHCIZZGBRI-HNNXBMFYSA-N -1 3 384.484 3.164 20 30 GGEDHM C=CCOCCCC(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000823925895 946517801 /nfs/dbraw/zinc/51/78/01/946517801.db2.gz QGKJCFSAZHKHBN-UHFFFAOYSA-N -1 3 399.495 3.424 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC ZINC000823932137 946520465 /nfs/dbraw/zinc/52/04/65/946520465.db2.gz PQFADMHJXAFWQK-XBXARRHUSA-N -1 3 380.379 3.475 20 30 GGEDHM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000823932137 946520473 /nfs/dbraw/zinc/52/04/73/946520473.db2.gz PQFADMHJXAFWQK-XBXARRHUSA-N -1 3 380.379 3.475 20 30 GGEDHM C#C[C@H](NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1)C(C)C ZINC001573279965 946652106 /nfs/dbraw/zinc/65/21/06/946652106.db2.gz MCIVYQWEBFFKHM-KRWDZBQOSA-N -1 3 376.420 3.438 20 30 GGEDHM C#C[C@H](NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1)C(C)C ZINC001573279965 946652116 /nfs/dbraw/zinc/65/21/16/946652116.db2.gz MCIVYQWEBFFKHM-KRWDZBQOSA-N -1 3 376.420 3.438 20 30 GGEDHM C#C[C@H](NC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1F ZINC001573280968 946669601 /nfs/dbraw/zinc/66/96/01/946669601.db2.gz UWPLVWMUBHQFSB-KRWDZBQOSA-N -1 3 398.829 3.141 20 30 GGEDHM C#C[C@H](NC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1F ZINC001573280968 946669609 /nfs/dbraw/zinc/66/96/09/946669609.db2.gz UWPLVWMUBHQFSB-KRWDZBQOSA-N -1 3 398.829 3.141 20 30 GGEDHM C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CC(C)(C)CC=C ZINC001573281366 946674772 /nfs/dbraw/zinc/67/47/72/946674772.db2.gz YGQOHNMPNLYHFT-HNNXBMFYSA-N -1 3 390.495 3.185 20 30 GGEDHM C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CC(C)(C)CC=C ZINC001573281366 946674779 /nfs/dbraw/zinc/67/47/79/946674779.db2.gz YGQOHNMPNLYHFT-HNNXBMFYSA-N -1 3 390.495 3.185 20 30 GGEDHM C#C[C@@H](Nc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21)c1ccc(F)cc1 ZINC001573281251 946675503 /nfs/dbraw/zinc/67/55/03/946675503.db2.gz WSNQUBPNKSRKFI-CQSZACIVSA-N -1 3 398.323 3.180 20 30 GGEDHM C#C[C@@H](Nc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21)c1ccc(F)cc1 ZINC001573281251 946675509 /nfs/dbraw/zinc/67/55/09/946675509.db2.gz WSNQUBPNKSRKFI-CQSZACIVSA-N -1 3 398.323 3.180 20 30 GGEDHM C#CCN(Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC001573282135 946685542 /nfs/dbraw/zinc/68/55/42/946685542.db2.gz FVSNRNANFIYVKE-UHFFFAOYSA-N -1 3 382.265 3.265 20 30 GGEDHM C#CCN(Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC001573282135 946685552 /nfs/dbraw/zinc/68/55/52/946685552.db2.gz FVSNRNANFIYVKE-UHFFFAOYSA-N -1 3 382.265 3.265 20 30 GGEDHM C#CCCCn1c(C2CCCC2)nnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573282130 946686016 /nfs/dbraw/zinc/68/60/16/946686016.db2.gz GFNWMFZNXXKVAL-UHFFFAOYSA-N -1 3 390.495 3.166 20 30 GGEDHM C#CCCCn1c(C2CCCC2)nnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573282130 946686025 /nfs/dbraw/zinc/68/60/25/946686025.db2.gz GFNWMFZNXXKVAL-UHFFFAOYSA-N -1 3 390.495 3.166 20 30 GGEDHM C#CCCOc1ccc(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)cc1 ZINC001573282415 946690383 /nfs/dbraw/zinc/69/03/83/946690383.db2.gz IZMFFJHCMQKMHC-UHFFFAOYSA-N -1 3 381.461 3.453 20 30 GGEDHM C#CCCOc1ccc(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)cc1 ZINC001573282415 946690386 /nfs/dbraw/zinc/69/03/86/946690386.db2.gz IZMFFJHCMQKMHC-UHFFFAOYSA-N -1 3 381.461 3.453 20 30 GGEDHM C#CCN(C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(C)(C)C ZINC001573282860 946700554 /nfs/dbraw/zinc/70/05/54/946700554.db2.gz MZOKMDLYOUJEJP-UHFFFAOYSA-N -1 3 389.459 3.320 20 30 GGEDHM C#CCN(C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C(C)(C)C ZINC001573282860 946700561 /nfs/dbraw/zinc/70/05/61/946700561.db2.gz MZOKMDLYOUJEJP-UHFFFAOYSA-N -1 3 389.459 3.320 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@H](C)[C@@H]1CC ZINC001573283673 946723073 /nfs/dbraw/zinc/72/30/73/946723073.db2.gz WQENJHUULWRCAZ-YJBOKZPZSA-N -1 3 390.495 3.163 20 30 GGEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@H](C)[C@@H]1CC ZINC001573283673 946723085 /nfs/dbraw/zinc/72/30/85/946723085.db2.gz WQENJHUULWRCAZ-YJBOKZPZSA-N -1 3 390.495 3.163 20 30 GGEDHM C#CCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCc2ccccc21 ZINC001573283821 946726692 /nfs/dbraw/zinc/72/66/92/946726692.db2.gz VYCJEWJIAFONGZ-NRFANRHFSA-N -1 3 385.471 3.339 20 30 GGEDHM C#CCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCc2ccccc21 ZINC001573283821 946726702 /nfs/dbraw/zinc/72/67/02/946726702.db2.gz VYCJEWJIAFONGZ-NRFANRHFSA-N -1 3 385.471 3.339 20 30 GGEDHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824513926 946755276 /nfs/dbraw/zinc/75/52/76/946755276.db2.gz KHAIXYAJCQIEMT-CYBMUJFWSA-N -1 3 383.415 3.224 20 30 GGEDHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824513926 946755280 /nfs/dbraw/zinc/75/52/80/946755280.db2.gz KHAIXYAJCQIEMT-CYBMUJFWSA-N -1 3 383.415 3.224 20 30 GGEDHM C#CCSc1ccc(COC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC001573287415 946834631 /nfs/dbraw/zinc/83/46/31/946834631.db2.gz BXVAEQIEUDGWBA-UHFFFAOYSA-N -1 3 390.468 3.367 20 30 GGEDHM C#CCSc1ccc(COC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC001573287415 946834636 /nfs/dbraw/zinc/83/46/36/946834636.db2.gz BXVAEQIEUDGWBA-UHFFFAOYSA-N -1 3 390.468 3.367 20 30 GGEDHM C#CCOc1ccc(NC(=O)NC2(c3ccc(-c4nnn[n-]4)cc3)CCC2)cc1 ZINC001573288223 946860566 /nfs/dbraw/zinc/86/05/66/946860566.db2.gz IYILUTFBRBBUER-UHFFFAOYSA-N -1 3 388.431 3.080 20 30 GGEDHM C#CCOc1ccc(NC(=O)NC2(c3ccc(-c4nn[n-]n4)cc3)CCC2)cc1 ZINC001573288223 946860573 /nfs/dbraw/zinc/86/05/73/946860573.db2.gz IYILUTFBRBBUER-UHFFFAOYSA-N -1 3 388.431 3.080 20 30 GGEDHM C#Cc1ccc(CNC(=O)Nc2ccc(OC(C)(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC001573290797 946909643 /nfs/dbraw/zinc/90/96/43/946909643.db2.gz PSPGLJIOYNMKEQ-UHFFFAOYSA-N -1 3 390.447 3.347 20 30 GGEDHM C#Cc1ccc(CNC(=O)Nc2ccc(OC(C)(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC001573290797 946909652 /nfs/dbraw/zinc/90/96/52/946909652.db2.gz PSPGLJIOYNMKEQ-UHFFFAOYSA-N -1 3 390.447 3.347 20 30 GGEDHM C#Cc1cccc(CNC(=O)Nc2ccc(OC(C)(C)C)c(-c3nnn[n-]3)c2)c1 ZINC001573290769 946909974 /nfs/dbraw/zinc/90/99/74/946909974.db2.gz OZULFRSTIMEEDB-UHFFFAOYSA-N -1 3 390.447 3.347 20 30 GGEDHM C#Cc1cccc(CNC(=O)Nc2ccc(OC(C)(C)C)c(-c3nn[n-]n3)c2)c1 ZINC001573290769 946909982 /nfs/dbraw/zinc/90/99/82/946909982.db2.gz OZULFRSTIMEEDB-UHFFFAOYSA-N -1 3 390.447 3.347 20 30 GGEDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ccc(C#N)cc1OC(F)F ZINC001573556108 946921035 /nfs/dbraw/zinc/92/10/35/946921035.db2.gz WGONSRZCBUSEAZ-UHFFFAOYSA-N -1 3 385.330 3.121 20 30 GGEDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ccc(C#N)cc1OC(F)F ZINC001573556108 946921051 /nfs/dbraw/zinc/92/10/51/946921051.db2.gz WGONSRZCBUSEAZ-UHFFFAOYSA-N -1 3 385.330 3.121 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001573293677 946965166 /nfs/dbraw/zinc/96/51/66/946965166.db2.gz FYPWTRSMJYRZMG-HUUCEWRRSA-N -1 3 378.484 3.184 20 30 GGEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001573293677 946965173 /nfs/dbraw/zinc/96/51/73/946965173.db2.gz FYPWTRSMJYRZMG-HUUCEWRRSA-N -1 3 378.484 3.184 20 30 GGEDHM C=C(C)c1cccc(NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC001573295745 947028188 /nfs/dbraw/zinc/02/81/88/947028188.db2.gz UCCBZZUJSHGCNC-UHFFFAOYSA-N -1 3 389.463 3.254 20 30 GGEDHM C=C(C)c1cccc(NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC001573295745 947028198 /nfs/dbraw/zinc/02/81/98/947028198.db2.gz UCCBZZUJSHGCNC-UHFFFAOYSA-N -1 3 389.463 3.254 20 30 GGEDHM C=C1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cn3)c2)CC1 ZINC001573296274 947043301 /nfs/dbraw/zinc/04/33/01/947043301.db2.gz MMSJLJOLBCWPKH-UHFFFAOYSA-N -1 3 377.408 3.238 20 30 GGEDHM C=C1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cn3)c2)CC1 ZINC001573296274 947043312 /nfs/dbraw/zinc/04/33/12/947043312.db2.gz MMSJLJOLBCWPKH-UHFFFAOYSA-N -1 3 377.408 3.238 20 30 GGEDHM C=C(Cl)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001573298043 947068833 /nfs/dbraw/zinc/06/88/33/947068833.db2.gz LZTAYLJHDXLQTI-INIZCTEOSA-N -1 3 396.886 3.114 20 30 GGEDHM C=C(Cl)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001573298043 947068846 /nfs/dbraw/zinc/06/88/46/947068846.db2.gz LZTAYLJHDXLQTI-INIZCTEOSA-N -1 3 396.886 3.114 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001573299660 947100279 /nfs/dbraw/zinc/10/02/79/947100279.db2.gz KUFGLHDQZOZHST-LKFCYVNXSA-N -1 3 382.237 3.161 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001573299660 947100286 /nfs/dbraw/zinc/10/02/86/947100286.db2.gz KUFGLHDQZOZHST-LKFCYVNXSA-N -1 3 382.237 3.161 20 30 GGEDHM C=CC1(CC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)CCCCC1 ZINC001573314319 947228960 /nfs/dbraw/zinc/22/89/60/947228960.db2.gz APFQYEWLBOXXJQ-UHFFFAOYSA-N -1 3 398.486 3.181 20 30 GGEDHM C[C@@H](C#N)N(C)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC001573585447 947258874 /nfs/dbraw/zinc/25/88/74/947258874.db2.gz GBZNSHXSNWGFLW-NSHDSACASA-N -1 3 382.811 3.296 20 30 GGEDHM C[C@@H](C#N)N(C)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC001573585447 947258883 /nfs/dbraw/zinc/25/88/83/947258883.db2.gz GBZNSHXSNWGFLW-NSHDSACASA-N -1 3 382.811 3.296 20 30 GGEDHM C=CCC1(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)CCCCC1 ZINC001573326794 947376227 /nfs/dbraw/zinc/37/62/27/947376227.db2.gz VTJLPEGUSARHLM-UHFFFAOYSA-N -1 3 398.486 3.181 20 30 GGEDHM C=CCC1(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)CCCCC1 ZINC001573326794 947376238 /nfs/dbraw/zinc/37/62/38/947376238.db2.gz VTJLPEGUSARHLM-UHFFFAOYSA-N -1 3 398.486 3.181 20 30 GGEDHM C=CCCC(=O)Nc1ccc(COC(=O)c2cscc2-c2nnn[n-]2)cc1 ZINC001573327287 947386501 /nfs/dbraw/zinc/38/65/01/947386501.db2.gz BQCALCPWOBZGIG-UHFFFAOYSA-N -1 3 383.433 3.190 20 30 GGEDHM C=CCCC(=O)Nc1ccc(COC(=O)c2cscc2-c2nn[n-]n2)cc1 ZINC001573327287 947386514 /nfs/dbraw/zinc/38/65/14/947386514.db2.gz BQCALCPWOBZGIG-UHFFFAOYSA-N -1 3 383.433 3.190 20 30 GGEDHM C=CCCC(C)(C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001573328288 947406293 /nfs/dbraw/zinc/40/62/93/947406293.db2.gz UQTWQVZSDCCEJB-UHFFFAOYSA-N -1 3 379.262 3.496 20 30 GGEDHM C=CCCC(C)(C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001573328288 947406299 /nfs/dbraw/zinc/40/62/99/947406299.db2.gz UQTWQVZSDCCEJB-UHFFFAOYSA-N -1 3 379.262 3.496 20 30 GGEDHM C=CCC[C@H](CO)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC001573334550 947456692 /nfs/dbraw/zinc/45/66/92/947456692.db2.gz NRZZPMNGPZDYHY-CQSZACIVSA-N -1 3 395.488 3.075 20 30 GGEDHM C=CCC[C@H](CO)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC001573334550 947456700 /nfs/dbraw/zinc/45/67/00/947456700.db2.gz NRZZPMNGPZDYHY-CQSZACIVSA-N -1 3 395.488 3.075 20 30 GGEDHM C=CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H]1CC ZINC001573335956 947496092 /nfs/dbraw/zinc/49/60/92/947496092.db2.gz XQEMDWIPOJUJHA-QGZVFWFLSA-N -1 3 378.484 3.470 20 30 GGEDHM C=CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H]1CC ZINC001573335956 947496096 /nfs/dbraw/zinc/49/60/96/947496096.db2.gz XQEMDWIPOJUJHA-QGZVFWFLSA-N -1 3 378.484 3.470 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)cc2ccncc21 ZINC001573341677 947532993 /nfs/dbraw/zinc/53/29/93/947532993.db2.gz OQONMZNSUFKDBT-UHFFFAOYSA-N -1 3 388.406 3.382 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)cc2ccncc21 ZINC001573341677 947533001 /nfs/dbraw/zinc/53/30/01/947533001.db2.gz OQONMZNSUFKDBT-UHFFFAOYSA-N -1 3 388.406 3.382 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnccc1C(F)(F)F ZINC001573341756 947535197 /nfs/dbraw/zinc/53/51/97/947535197.db2.gz PZIDHYDYLFRPIE-UHFFFAOYSA-N -1 3 388.353 3.109 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnccc1C(F)(F)F ZINC001573341756 947535203 /nfs/dbraw/zinc/53/52/03/947535203.db2.gz PZIDHYDYLFRPIE-UHFFFAOYSA-N -1 3 388.353 3.109 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1nsc2ccccc21 ZINC001573342169 947537906 /nfs/dbraw/zinc/53/79/06/947537906.db2.gz VMRDPSKLQAQZIA-UHFFFAOYSA-N -1 3 390.472 3.234 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1nsc2ccccc21 ZINC001573342169 947537919 /nfs/dbraw/zinc/53/79/19/947537919.db2.gz VMRDPSKLQAQZIA-UHFFFAOYSA-N -1 3 390.472 3.234 20 30 GGEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1c(C)cc(F)cc1-c1nnn[n-]1 ZINC001573342496 947540719 /nfs/dbraw/zinc/54/07/19/947540719.db2.gz ZRPCZOMOFYNNDA-UHFFFAOYSA-N -1 3 393.488 3.071 20 30 GGEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)Cc1cccs1 ZINC001573348379 947585036 /nfs/dbraw/zinc/58/50/36/947585036.db2.gz PXSCEWVONASVRA-UHFFFAOYSA-N -1 3 378.465 3.009 20 30 GGEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)Cc1cccs1 ZINC001573348379 947585044 /nfs/dbraw/zinc/58/50/44/947585044.db2.gz PXSCEWVONASVRA-UHFFFAOYSA-N -1 3 378.465 3.009 20 30 GGEDHM C=CCOc1ccc(-c2nnc(SCc3ccncc3-c3nnn[n-]3)o2)cc1 ZINC001573348807 947588670 /nfs/dbraw/zinc/58/86/70/947588670.db2.gz WTOMMABFLIAIIQ-UHFFFAOYSA-N -1 3 393.432 3.169 20 30 GGEDHM C=CCOc1ccc(-c2nnc(SCc3ccncc3-c3nn[n-]n3)o2)cc1 ZINC001573348807 947588679 /nfs/dbraw/zinc/58/86/79/947588679.db2.gz WTOMMABFLIAIIQ-UHFFFAOYSA-N -1 3 393.432 3.169 20 30 GGEDHM C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C(=O)[O-])cc1 ZINC001602729947 971403650 /nfs/dbraw/zinc/40/36/50/971403650.db2.gz MYBYLXMTNBNAIN-UHFFFAOYSA-N -1 3 386.521 3.483 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001573350705 947600940 /nfs/dbraw/zinc/60/09/40/947600940.db2.gz DINYDHXTYBNIBY-SJORKVTESA-N -1 3 392.419 3.124 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001573350705 947600942 /nfs/dbraw/zinc/60/09/42/947600942.db2.gz DINYDHXTYBNIBY-SJORKVTESA-N -1 3 392.419 3.124 20 30 GGEDHM C=CCn1cc2ccc(NC(=O)C3(c4cccc(-c5nnn[n-]5)c4)CC3)cc2n1 ZINC001573350941 947605286 /nfs/dbraw/zinc/60/52/86/947605286.db2.gz LPLMUYMKWVWAGZ-UHFFFAOYSA-N -1 3 385.431 3.073 20 30 GGEDHM C=CCn1cc2ccc(NC(=O)C3(c4cccc(-c5nn[n-]n5)c4)CC3)cc2n1 ZINC001573350941 947605292 /nfs/dbraw/zinc/60/52/92/947605292.db2.gz LPLMUYMKWVWAGZ-UHFFFAOYSA-N -1 3 385.431 3.073 20 30 GGEDHM N#Cc1cc(NC(=O)CC2CCC(C(F)(F)F)CC2)ccc1-c1nnn[n-]1 ZINC000826384239 948186610 /nfs/dbraw/zinc/18/66/10/948186610.db2.gz MQWPMGNGSYDIDA-UHFFFAOYSA-N -1 3 378.358 3.436 20 30 GGEDHM N#Cc1cc(NC(=O)CC2CCC(C(F)(F)F)CC2)ccc1-c1nn[n-]n1 ZINC000826384239 948186613 /nfs/dbraw/zinc/18/66/13/948186613.db2.gz MQWPMGNGSYDIDA-UHFFFAOYSA-N -1 3 378.358 3.436 20 30 GGEDHM CC(F)(F)c1ccccc1NC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575244218 949018080 /nfs/dbraw/zinc/01/80/80/949018080.db2.gz YEGDGHJYKPVLAB-AWEZNQCLSA-N -1 3 382.374 3.299 20 30 GGEDHM CC(F)(F)c1ccccc1NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575244218 949018101 /nfs/dbraw/zinc/01/81/01/949018101.db2.gz YEGDGHJYKPVLAB-AWEZNQCLSA-N -1 3 382.374 3.299 20 30 GGEDHM CC[C@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC001589605993 949269653 /nfs/dbraw/zinc/26/96/53/949269653.db2.gz YJAKKKHOEHXVQZ-YWZLYKJASA-N -1 3 375.444 3.038 20 30 GGEDHM CC(C)(C)CN(CCC#N)C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001573845787 950241416 /nfs/dbraw/zinc/24/14/16/950241416.db2.gz MEAXQHFTKPFLAG-UHFFFAOYSA-N -1 3 391.273 3.031 20 30 GGEDHM CC(C)(C)CN(CCC#N)C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001573845787 950241431 /nfs/dbraw/zinc/24/14/31/950241431.db2.gz MEAXQHFTKPFLAG-UHFFFAOYSA-N -1 3 391.273 3.031 20 30 GGEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001575190907 952465397 /nfs/dbraw/zinc/46/53/97/952465397.db2.gz UWUNYBWGKCAPFZ-CYBMUJFWSA-N -1 3 383.415 3.104 20 30 GGEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001575190907 952465402 /nfs/dbraw/zinc/46/54/02/952465402.db2.gz UWUNYBWGKCAPFZ-CYBMUJFWSA-N -1 3 383.415 3.104 20 30 GGEDHM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(Cc3ccc(C#N)cc3C(F)(F)F)C2)cn1 ZINC000873646205 969360744 /nfs/dbraw/zinc/36/07/44/969360744.db2.gz YMZOZBDLBMYIPW-LSDHHAIUSA-N -1 3 392.381 3.001 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001592225942 977413933 /nfs/dbraw/zinc/41/39/33/977413933.db2.gz QECFQPDZJCXGFK-NXEZDXNNSA-N -1 3 387.505 3.204 20 30 GGEDHM CC[C@H](C#N)Oc1cc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC ZINC000736848779 978361722 /nfs/dbraw/zinc/36/17/22/978361722.db2.gz NDODABBBOIURAN-YLJYHZDGSA-N -1 3 379.416 3.163 20 30 GGEDHM C#CCN1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])CC1 ZINC001588471773 983507702 /nfs/dbraw/zinc/50/77/02/983507702.db2.gz ZOMIYYSGZMIIQZ-UHFFFAOYSA-N -1 3 378.428 3.461 20 30 GGEDHM CCN(C(=O)OC(C)(C)C)C1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001596155598 983513490 /nfs/dbraw/zinc/51/34/90/983513490.db2.gz GMLNGJCBEIFNSY-GOSISDBHSA-N -1 3 387.480 3.405 20 30 GGEDHM C=CCC[C@@H](NCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccccc1 ZINC001588779403 984165617 /nfs/dbraw/zinc/16/56/17/984165617.db2.gz XLRLVGZPSXVOFE-LJQANCHMSA-N -1 3 396.443 3.407 20 30 GGEDHM CCO[C@@H]1C[C@](NCc2cc(C#N)ccc2Br)(C(=O)[O-])C1(C)C ZINC001596838457 985507450 /nfs/dbraw/zinc/50/74/50/985507450.db2.gz OBUMTOKMYCFINA-PBHICJAKSA-N -1 3 381.270 3.069 20 30 GGEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(CCC(=O)[O-])CC(C)C)c1C#N ZINC001599973103 986043066 /nfs/dbraw/zinc/04/30/66/986043066.db2.gz IFGWWRBKKRCYLW-UHFFFAOYSA-N -1 3 396.491 3.337 20 30 GGEDHM CC(C)(C)OC(=O)NCC12CCC(CC1)CN2[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001590168340 989488199 /nfs/dbraw/zinc/48/81/99/989488199.db2.gz HHSNRBMCSDILBJ-GXPWMBGSSA-N -1 3 399.491 3.453 20 30 GGEDHM COc1ccccc1[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)N1CCCCC1 ZINC001599697640 991172666 /nfs/dbraw/zinc/17/26/66/991172666.db2.gz HHWFLLFQQJZPGP-LJQANCHMSA-N -1 3 380.448 3.299 20 30 GGEDHM CN(CCOCC(F)(F)C(F)F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598496881 992379298 /nfs/dbraw/zinc/37/92/98/992379298.db2.gz NHAOCLWTWOSZJI-LLVKDONJSA-N -1 3 377.256 3.078 20 30 GGEDHM CN(CCOCc1ccc(C#N)cc1)CCOc1ccc(C(=O)[O-])cc1Cl ZINC001598497751 992386684 /nfs/dbraw/zinc/38/66/84/992386684.db2.gz FNCFILKBVPUGIF-UHFFFAOYSA-N -1 3 388.851 3.437 20 30 GGEDHM CN1CCC[C@H](NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001598594551 993485261 /nfs/dbraw/zinc/48/52/61/993485261.db2.gz PQPRMCYWIMFBBV-FQEVSTJZSA-N -1 3 377.444 3.000 20 30 GGEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC001593195545 994148275 /nfs/dbraw/zinc/14/82/75/994148275.db2.gz QMGRCJVZHPCDQN-AUUYWEPGSA-N -1 3 379.416 3.381 20 30 GGEDHM C[C@@H](N[C@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001593222052 994330278 /nfs/dbraw/zinc/33/02/78/994330278.db2.gz GHTBZVUKJIUDQW-IERDGZPVSA-N -1 3 391.471 3.342 20 30 GGEDHM COc1cccc([C@H]2[C@H](NCc3cccc(C(=O)[O-])c3C#N)CCN2C2CC2)c1 ZINC001599667415 994752680 /nfs/dbraw/zinc/75/26/80/994752680.db2.gz NOZWSDRTHHBBKV-YADHBBJMSA-N -1 3 391.471 3.333 20 30 GGEDHM COc1cccc([C@@H]2[C@@H](NCc3cccc(C(=O)[O-])c3C#N)CCN2C2CC2)c1 ZINC001599667412 994752827 /nfs/dbraw/zinc/75/28/27/994752827.db2.gz NOZWSDRTHHBBKV-FCHUYYIVSA-N -1 3 391.471 3.333 20 30 GGEDHM COC(=O)c1cccc(CN[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c1C#N ZINC001598995616 998777445 /nfs/dbraw/zinc/77/74/45/998777445.db2.gz KDRKXXDOFDMYLJ-FQEVSTJZSA-N -1 3 386.835 3.174 20 30 GGEDHM COC(=O)c1cccc([C@@H](C(=O)[O-])N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC001598997557 998793932 /nfs/dbraw/zinc/79/39/32/998793932.db2.gz UFKKKMUBDQQSGV-FQEVSTJZSA-N -1 3 394.427 3.014 20 30 GGEDHM O=S(=O)([N-]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F ZINC000079017652 212140530 /nfs/dbraw/zinc/14/05/30/212140530.db2.gz RCSVTUFZCROASD-UHFFFAOYSA-N -1 3 375.318 3.314 20 30 GGEDHM CCc1ccc(C(=O)[C@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000007674040 221005531 /nfs/dbraw/zinc/00/55/31/221005531.db2.gz QBFWFWGFPYWTRX-HNNXBMFYSA-N -1 3 380.444 3.173 20 30 GGEDHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000010541047 221105096 /nfs/dbraw/zinc/10/50/96/221105096.db2.gz ZVZVJLAMHJOGLM-UHFFFAOYSA-N -1 3 389.459 3.237 20 30 GGEDHM CCOC(=O)/C=C/c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000018239912 221391540 /nfs/dbraw/zinc/39/15/40/221391540.db2.gz VHNLUBYCJZTHSO-KPKJPENVSA-N -1 3 393.443 3.011 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000058217397 222046373 /nfs/dbraw/zinc/04/63/73/222046373.db2.gz NQRITKQBBQQBDV-OAQYLSRUSA-N -1 3 375.472 3.475 20 30 GGEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)cc1Cl ZINC000096013460 222371788 /nfs/dbraw/zinc/37/17/88/222371788.db2.gz GFDCFXPEGJDFTF-MGPLVRAMSA-N -1 3 387.864 3.188 20 30 GGEDHM COc1ccc(Br)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673922 564180414 /nfs/dbraw/zinc/18/04/14/564180414.db2.gz SRINRRTZNHNGIQ-UHFFFAOYSA-N -1 3 381.251 3.439 20 30 GGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000116905866 564220217 /nfs/dbraw/zinc/22/02/17/564220217.db2.gz VASFTURGZAEHKC-MRVPVSSYSA-N -1 3 383.105 3.455 20 30 GGEDHM N#CCCn1ccc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)n1 ZINC000117855303 564233176 /nfs/dbraw/zinc/23/31/76/564233176.db2.gz RTLPCRGNHPNPKJ-UHFFFAOYSA-N -1 3 385.225 3.202 20 30 GGEDHM N#CCCn1ccc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)n1 ZINC000117855303 564233177 /nfs/dbraw/zinc/23/31/77/564233177.db2.gz RTLPCRGNHPNPKJ-UHFFFAOYSA-N -1 3 385.225 3.202 20 30 GGEDHM C[C@@](C#N)(NC(=O)CSc1nnc([N-]c2ccccc2F)s1)C1CC1 ZINC000010316428 564257563 /nfs/dbraw/zinc/25/75/63/564257563.db2.gz VMHZMGXVPFEXPS-INIZCTEOSA-N -1 3 377.470 3.321 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)c1c(C)noc1C ZINC000119260551 564262735 /nfs/dbraw/zinc/26/27/35/564262735.db2.gz FBVYOYQGUVAVKR-CQSZACIVSA-N -1 3 398.282 3.355 20 30 GGEDHM N#Cc1cc(C(F)(F)F)ccc1NCC[N-]S(=O)(=O)c1cccs1 ZINC000119997170 564299181 /nfs/dbraw/zinc/29/91/81/564299181.db2.gz HPHSGIRWBPCZFO-UHFFFAOYSA-N -1 3 375.397 3.029 20 30 GGEDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000120241964 564311869 /nfs/dbraw/zinc/31/18/69/564311869.db2.gz VSDIJLKKRPHMHG-UHFFFAOYSA-N -1 3 378.416 3.187 20 30 GGEDHM Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1Br ZINC000120331567 564315830 /nfs/dbraw/zinc/31/58/30/564315830.db2.gz ZTRORPASJNCORI-UHFFFAOYSA-N -1 3 396.222 3.338 20 30 GGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1Br ZINC000120491722 564323033 /nfs/dbraw/zinc/32/30/33/564323033.db2.gz IZSCTHVWYYXLPB-UHFFFAOYSA-N -1 3 382.195 3.030 20 30 GGEDHM C[C@H](C#N)OC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000023417481 564324258 /nfs/dbraw/zinc/32/42/58/564324258.db2.gz LLFARUYZTYRQTB-SNVBAGLBSA-N -1 3 382.800 3.349 20 30 GGEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000122002793 564396417 /nfs/dbraw/zinc/39/64/17/564396417.db2.gz SUYLTZQTCBNUFC-SSDOTTSWSA-N -1 3 376.697 3.178 20 30 GGEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3ccc(Br)o3)sc2C1 ZINC000038804642 564424481 /nfs/dbraw/zinc/42/44/81/564424481.db2.gz KEIIFLCVBPMYHT-UHFFFAOYSA-N -1 3 394.250 3.132 20 30 GGEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000040363808 564427201 /nfs/dbraw/zinc/42/72/01/564427201.db2.gz DGPCTHRWGXDEKK-VIFPVBQESA-N -1 3 396.104 3.182 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(I)cc2)nc(C)n1 ZINC000041574319 564434637 /nfs/dbraw/zinc/43/46/37/564434637.db2.gz HVPOMTXVJUROOO-CYBMUJFWSA-N -1 3 377.185 3.188 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(I)c2)nc(C)n1 ZINC000041574230 564434862 /nfs/dbraw/zinc/43/48/62/564434862.db2.gz GPIOKZWRFHQCNI-ZDUSSCGKSA-N -1 3 377.185 3.188 20 30 GGEDHM O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1nnc(C(F)(F)F)[n-]1 ZINC000045572162 564486291 /nfs/dbraw/zinc/48/62/91/564486291.db2.gz MAHOGDXUAVTTPC-UHFFFAOYSA-N -1 3 382.129 3.148 20 30 GGEDHM O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1nc(C(F)(F)F)n[n-]1 ZINC000045572162 564486292 /nfs/dbraw/zinc/48/62/92/564486292.db2.gz MAHOGDXUAVTTPC-UHFFFAOYSA-N -1 3 382.129 3.148 20 30 GGEDHM O=C(COc1ccc(Br)cc1F)Nc1nnc(-c2ccccn2)[n-]1 ZINC000047343250 564519001 /nfs/dbraw/zinc/51/90/01/564519001.db2.gz XRRQFRHHYXVZIZ-UHFFFAOYSA-N -1 3 392.188 3.435 20 30 GGEDHM O=C(COc1ccc(Br)cc1F)Nc1nc(-c2ccccn2)n[n-]1 ZINC000047343250 564519007 /nfs/dbraw/zinc/51/90/07/564519007.db2.gz XRRQFRHHYXVZIZ-UHFFFAOYSA-N -1 3 392.188 3.435 20 30 GGEDHM O=C(COc1ccc(Br)cc1F)Nc1n[n-]c(-c2ccccn2)n1 ZINC000047343250 564519009 /nfs/dbraw/zinc/51/90/09/564519009.db2.gz XRRQFRHHYXVZIZ-UHFFFAOYSA-N -1 3 392.188 3.435 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1csc(-c2ccco2)n1 ZINC000126839129 564565062 /nfs/dbraw/zinc/56/50/62/564565062.db2.gz PJEBSBXEGJTXGY-UHFFFAOYSA-N -1 3 379.850 3.407 20 30 GGEDHM N#Cc1ccsc1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000052033564 564569265 /nfs/dbraw/zinc/56/92/65/564569265.db2.gz KQHFNJFHDHXSJF-UHFFFAOYSA-N -1 3 388.250 3.274 20 30 GGEDHM COc1cc(Br)c([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1OC ZINC000057121646 564660661 /nfs/dbraw/zinc/66/06/61/564660661.db2.gz QOMRTOSPXTYSTN-UHFFFAOYSA-N -1 3 397.250 3.139 20 30 GGEDHM COc1cc(Br)c([N-]S(=O)(=O)c2ccccc2C#N)cc1OC ZINC000057121652 564661036 /nfs/dbraw/zinc/66/10/36/564661036.db2.gz NKTWDLCBXJAGNB-UHFFFAOYSA-N -1 3 397.250 3.139 20 30 GGEDHM COc1cc(Br)c([N-]S(=O)(=O)c2cccc(C#N)c2)cc1OC ZINC000057121649 564661059 /nfs/dbraw/zinc/66/10/59/564661059.db2.gz KYEGAKBUCWECNF-UHFFFAOYSA-N -1 3 397.250 3.139 20 30 GGEDHM C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N=C1[N-]C(=O)CN1 ZINC000057432911 564667857 /nfs/dbraw/zinc/66/78/57/564667857.db2.gz KPSYAHLJRZNBLK-VIFPVBQESA-N -1 3 378.841 3.059 20 30 GGEDHM N#Cc1ccsc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000133220367 564766569 /nfs/dbraw/zinc/76/65/69/564766569.db2.gz FJVRWUSJCNZSND-UHFFFAOYSA-N -1 3 399.169 3.385 20 30 GGEDHM C=C(C)COc1cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000066727210 564774082 /nfs/dbraw/zinc/77/40/82/564774082.db2.gz VGDQSHKZZLNADX-ZDUSSCGKSA-N -1 3 380.491 3.009 20 30 GGEDHM N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000134144301 564795498 /nfs/dbraw/zinc/79/54/98/564795498.db2.gz CFAXDPPXZPTWEI-UHFFFAOYSA-N -1 3 378.837 3.375 20 30 GGEDHM N#CCCCC[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000070940704 564853005 /nfs/dbraw/zinc/85/30/05/564853005.db2.gz OOHAMDSVMAISRT-UHFFFAOYSA-N -1 3 396.104 3.184 20 30 GGEDHM N#Cc1ccc(SCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151522497 564924349 /nfs/dbraw/zinc/92/43/49/564924349.db2.gz XIKKMLHUFOGBCI-UHFFFAOYSA-N -1 3 377.263 3.435 20 30 GGEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151584675 564928221 /nfs/dbraw/zinc/92/82/21/564928221.db2.gz JSNZZPCGOWXTML-NSHDSACASA-N -1 3 375.222 3.110 20 30 GGEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151584740 564928323 /nfs/dbraw/zinc/92/83/23/564928323.db2.gz JSNZZPCGOWXTML-LLVKDONJSA-N -1 3 375.222 3.110 20 30 GGEDHM N#Cc1ccsc1[N-]C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000155224392 565064671 /nfs/dbraw/zinc/06/46/71/565064671.db2.gz SVBUGRYVHKPGGZ-UHFFFAOYSA-N -1 3 399.169 3.385 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](c1cccs1)N1CCCC1 ZINC000156162386 565075564 /nfs/dbraw/zinc/07/55/64/565075564.db2.gz FQMACPOZNQVOGI-HNNXBMFYSA-N -1 3 395.937 3.389 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)ccc1Br ZINC000156189436 565075644 /nfs/dbraw/zinc/07/56/44/565075644.db2.gz XSBIOIXHKITGIY-UHFFFAOYSA-N -1 3 392.228 3.336 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1nc2ccccc2s1 ZINC000156226210 565075710 /nfs/dbraw/zinc/07/57/10/565075710.db2.gz PMLXWCVPWFGKAB-UHFFFAOYSA-N -1 3 377.878 3.342 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1nc2ccccc2s1 ZINC000156226338 565075787 /nfs/dbraw/zinc/07/57/87/565075787.db2.gz KGZSZWYHSXQIJI-UHFFFAOYSA-N -1 3 377.878 3.342 20 30 GGEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000183573140 565079796 /nfs/dbraw/zinc/07/97/96/565079796.db2.gz JOYWVYFIFVVWSJ-HNNXBMFYSA-N -1 3 381.885 3.166 20 30 GGEDHM Cc1noc(C)c1C(=O)C(C(=S)[N-]C1CCC1)[n+]1cccc([O-])c1Cl ZINC000292250865 565106170 /nfs/dbraw/zinc/10/61/70/565106170.db2.gz DLBGAPCDGGFFJE-UHFFFAOYSA-O -1 3 380.877 3.019 20 30 GGEDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000156802169 565106393 /nfs/dbraw/zinc/10/63/93/565106393.db2.gz BDIBUESHXLBUFW-UHFFFAOYSA-N -1 3 376.400 3.062 20 30 GGEDHM CNS(=O)(=O)c1csc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1 ZINC000267150611 565108209 /nfs/dbraw/zinc/10/82/09/565108209.db2.gz NHYZSGCSOBXSAY-LLVKDONJSA-N -1 3 395.531 3.160 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)c1 ZINC000184297844 565127089 /nfs/dbraw/zinc/12/70/89/565127089.db2.gz XFYKXJZNICSMTI-UHFFFAOYSA-N -1 3 381.910 3.068 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nccs1 ZINC000157659854 565139954 /nfs/dbraw/zinc/13/99/54/565139954.db2.gz XBPOIORUXGXWIQ-UHFFFAOYSA-N -1 3 375.397 3.247 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c1 ZINC000184897425 565163451 /nfs/dbraw/zinc/16/34/51/565163451.db2.gz AVEWNEARSXFHIK-UHFFFAOYSA-N -1 3 381.788 3.165 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)c1 ZINC000184991418 565170894 /nfs/dbraw/zinc/17/08/94/565170894.db2.gz NNLSQMQAGDSZEO-UHFFFAOYSA-N -1 3 395.815 3.208 20 30 GGEDHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@]2(C#N)CCc3ccccc3C2)c1 ZINC000185150460 565180713 /nfs/dbraw/zinc/18/07/13/565180713.db2.gz ASVRFABKHBMWJU-GOSISDBHSA-N -1 3 376.865 3.078 20 30 GGEDHM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000185172172 565182992 /nfs/dbraw/zinc/18/29/92/565182992.db2.gz HJFAUZBPUHTFSR-CZUORRHYSA-N -1 3 378.881 3.045 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000185893068 565227745 /nfs/dbraw/zinc/22/77/45/565227745.db2.gz IOGXZOKVLQEILZ-WBVHZDCISA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000185916985 565228883 /nfs/dbraw/zinc/22/88/83/565228883.db2.gz FXVYLBVDGQAHCY-UHFFFAOYSA-N -1 3 386.216 3.252 20 30 GGEDHM C=CCN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)C1CC1 ZINC000271609615 565261330 /nfs/dbraw/zinc/26/13/30/565261330.db2.gz ZTFDSOZUXPBGAV-UHFFFAOYSA-N -1 3 394.212 3.336 20 30 GGEDHM Cc1csc([C@H]([N-]C(=O)CCOCC(F)(F)C(F)F)C(F)(F)F)n1 ZINC000295400271 565263259 /nfs/dbraw/zinc/26/32/59/565263259.db2.gz NVMXJRMJWQEESY-QMMMGPOBSA-N -1 3 382.301 3.478 20 30 GGEDHM COc1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc(OC)c1[O-] ZINC000186733447 565281309 /nfs/dbraw/zinc/28/13/09/565281309.db2.gz LEEKLBUILQFVDN-ZDUSSCGKSA-N -1 3 391.221 3.167 20 30 GGEDHM COc1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc(OC)c1[O-] ZINC000186733468 565282102 /nfs/dbraw/zinc/28/21/02/565282102.db2.gz LEEKLBUILQFVDN-CYBMUJFWSA-N -1 3 391.221 3.167 20 30 GGEDHM N#CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000186901839 565294432 /nfs/dbraw/zinc/29/44/32/565294432.db2.gz KDTRHVMGQLIEMQ-HNNXBMFYSA-N -1 3 386.901 3.260 20 30 GGEDHM CC[C@@H](C)[N-]C(=S)C(C(=O)c1c(C)noc1C)[n+]1cc([O-])cc(Cl)c1 ZINC000186964967 565298558 /nfs/dbraw/zinc/29/85/58/565298558.db2.gz LPLHSMGVTAWELJ-SECBINFHSA-O -1 3 382.893 3.265 20 30 GGEDHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1 ZINC000273387727 565319139 /nfs/dbraw/zinc/31/91/39/565319139.db2.gz CTFDMCBJPKRJQK-SECBINFHSA-N -1 3 389.424 3.424 20 30 GGEDHM Cc1csc(C2([N-]S(=O)(=O)Cc3cc(C#N)ccc3F)CCCC2)n1 ZINC000162728891 565325516 /nfs/dbraw/zinc/32/55/16/565325516.db2.gz KAALJBIJQYQYBC-UHFFFAOYSA-N -1 3 379.482 3.351 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163287159 565342414 /nfs/dbraw/zinc/34/24/14/565342414.db2.gz NWODANAFTVNALE-RHSMWYFYSA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163287379 565343012 /nfs/dbraw/zinc/34/30/12/565343012.db2.gz NWODANAFTVNALE-WMLDXEAASA-N -1 3 376.865 3.410 20 30 GGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000187767668 565353907 /nfs/dbraw/zinc/35/39/07/565353907.db2.gz QXCOAZCJZLEJHK-LSDHHAIUSA-N -1 3 386.901 3.258 20 30 GGEDHM C=CCCc1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000297468789 565373275 /nfs/dbraw/zinc/37/32/75/565373275.db2.gz YKNFQOOVARPTOL-UHFFFAOYSA-N -1 3 376.265 3.016 20 30 GGEDHM CC1(C(=O)[N-]OCC(F)(F)F)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000376221821 565427159 /nfs/dbraw/zinc/42/71/59/565427159.db2.gz NXCGCIGIQQZHPM-UHFFFAOYSA-N -1 3 375.778 3.428 20 30 GGEDHM CS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)c1 ZINC000298937373 565434158 /nfs/dbraw/zinc/43/41/58/565434158.db2.gz GNFNMOWFROKOIH-UHFFFAOYSA-N -1 3 378.450 3.293 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H](c1ccccc1)N(C)C ZINC000189035870 565439157 /nfs/dbraw/zinc/43/91/57/565439157.db2.gz SAWCSXSXVNVEFE-FZKQIMNGSA-N -1 3 377.897 3.181 20 30 GGEDHM CCS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2sc3c(c2C#N)CCC3)c1 ZINC000171807041 565451873 /nfs/dbraw/zinc/45/18/73/565451873.db2.gz AZZJOQQLXPMNPJ-UHFFFAOYSA-N -1 3 378.450 3.293 20 30 GGEDHM C[C@@H](C#N)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000171847318 565453865 /nfs/dbraw/zinc/45/38/65/565453865.db2.gz ZMDOWJYCRCWKAN-LBPRGKRZSA-N -1 3 377.853 3.030 20 30 GGEDHM C[C@H](C#N)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000171847315 565454230 /nfs/dbraw/zinc/45/42/30/565454230.db2.gz ZMDOWJYCRCWKAN-GFCCVEGCSA-N -1 3 377.853 3.030 20 30 GGEDHM N#Cc1ccc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1Cl ZINC000301189476 565470513 /nfs/dbraw/zinc/47/05/13/565470513.db2.gz VGGWJMGLCGWRCD-UHFFFAOYSA-N -1 3 381.910 3.220 20 30 GGEDHM Cc1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])nn1CCC#N ZINC000278081728 565538613 /nfs/dbraw/zinc/53/86/13/565538613.db2.gz PBORPCJQKIGXFA-UHFFFAOYSA-N -1 3 384.215 3.090 20 30 GGEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)COCc1ccccc1 ZINC000390392126 565555811 /nfs/dbraw/zinc/55/58/11/565555811.db2.gz KRUFRXUQRHNXRF-CQSZACIVSA-N -1 3 378.881 3.343 20 30 GGEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)COCc1ccccc1 ZINC000390392125 565556498 /nfs/dbraw/zinc/55/64/98/565556498.db2.gz KRUFRXUQRHNXRF-AWEZNQCLSA-N -1 3 378.881 3.343 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)cc1Br ZINC000408397034 565607210 /nfs/dbraw/zinc/60/72/10/565607210.db2.gz RZKGPJJJDWXPQC-UHFFFAOYSA-N -1 3 379.226 3.177 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)c(Br)c1 ZINC000174106292 565613463 /nfs/dbraw/zinc/61/34/63/565613463.db2.gz YKOUUWKPAQETLI-UHFFFAOYSA-N -1 3 392.228 3.336 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2Br)cc1 ZINC000323789140 565615108 /nfs/dbraw/zinc/61/51/08/565615108.db2.gz GCNRAYIBRPCEPL-UHFFFAOYSA-N -1 3 389.234 3.065 20 30 GGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1Br ZINC000323981005 565616697 /nfs/dbraw/zinc/61/66/97/565616697.db2.gz DWMVYKQXJMUEEZ-UHFFFAOYSA-N -1 3 396.222 3.171 20 30 GGEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)C12CCCCC2 ZINC000329280812 565662038 /nfs/dbraw/zinc/66/20/38/565662038.db2.gz MZZHZMXZRPPILI-QWHCGFSZSA-N -1 3 387.527 3.157 20 30 GGEDHM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)co1 ZINC000411007908 565704553 /nfs/dbraw/zinc/70/45/53/565704553.db2.gz QHIUYKGCRWOWRR-UHFFFAOYSA-N -1 3 381.479 3.013 20 30 GGEDHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000330797685 565724337 /nfs/dbraw/zinc/72/43/37/565724337.db2.gz HPQPXUYGAFFKIB-GZMMTYOYSA-N -1 3 397.216 3.438 20 30 GGEDHM CCN1CCCC[C@@H]1CNC(=O)c1ccc(I)c([O-])c1 ZINC000330880739 565727764 /nfs/dbraw/zinc/72/77/64/565727764.db2.gz YOPRTZLNSHJTHB-GFCCVEGCSA-N -1 3 388.249 3.176 20 30 GGEDHM C=CCN(CC=C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000193125734 565734300 /nfs/dbraw/zinc/73/43/00/565734300.db2.gz XLODZPQDVHVTLI-UHFFFAOYSA-N -1 3 382.532 3.102 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000281547956 565735346 /nfs/dbraw/zinc/73/53/46/565735346.db2.gz SOLWWJRVVDQVOF-AJALSWGYSA-N -1 3 396.281 3.274 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000281547966 565736055 /nfs/dbraw/zinc/73/60/55/565736055.db2.gz SOLWWJRVVDQVOF-HVZCNGIVSA-N -1 3 396.281 3.274 20 30 GGEDHM N#Cc1csc(C(=O)[N-]c2ncn(Cc3ccc(Br)cc3)n2)c1 ZINC000177004328 565821946 /nfs/dbraw/zinc/82/19/46/565821946.db2.gz NWYSQEQHMCESRS-UHFFFAOYSA-N -1 3 388.250 3.274 20 30 GGEDHM C[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000194670372 565830327 /nfs/dbraw/zinc/83/03/27/565830327.db2.gz WACUYBYROJFZNU-GFCCVEGCSA-N -1 3 377.853 3.173 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cn(C4CCCC4)nc32)s1 ZINC000333247061 565873923 /nfs/dbraw/zinc/87/39/23/565873923.db2.gz JNHPWSNRXOXISC-OAHLLOKOSA-N -1 3 376.507 3.287 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(Br)o2)no1 ZINC000178272151 565909637 /nfs/dbraw/zinc/90/96/37/565909637.db2.gz SCTHPBDJMWKVLX-UHFFFAOYSA-N -1 3 389.209 3.054 20 30 GGEDHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1C ZINC000178350297 565914033 /nfs/dbraw/zinc/91/40/33/565914033.db2.gz XJWXIZYKPOQTBK-UHFFFAOYSA-N -1 3 381.841 3.134 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(Br)c2)c(Cl)c1 ZINC000227300400 565921595 /nfs/dbraw/zinc/92/15/95/565921595.db2.gz JMLOJBVJNBYOCY-UHFFFAOYSA-N -1 3 385.670 3.453 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)c(Cl)c1 ZINC000227301378 565921981 /nfs/dbraw/zinc/92/19/81/565921981.db2.gz AQSVAHIBPARKFF-UHFFFAOYSA-N -1 3 385.670 3.453 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000178531400 565924879 /nfs/dbraw/zinc/92/48/79/565924879.db2.gz ASGBOHRCKFTUPH-AEFFLSMTSA-N -1 3 376.865 3.410 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000178531375 565925049 /nfs/dbraw/zinc/92/50/49/565925049.db2.gz ASGBOHRCKFTUPH-WMZOPIPTSA-N -1 3 376.865 3.410 20 30 GGEDHM N#CC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCC1 ZINC000414437078 565932191 /nfs/dbraw/zinc/93/21/91/565932191.db2.gz BDRNOKQUTIDKSJ-UHFFFAOYSA-N -1 3 377.344 3.118 20 30 GGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000414450318 565934330 /nfs/dbraw/zinc/93/43/30/565934330.db2.gz FPKPIEQULCGNFQ-ZDUSSCGKSA-N -1 3 395.319 3.210 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)c(Cl)c1 ZINC000180156169 566039146 /nfs/dbraw/zinc/03/91/46/566039146.db2.gz LATGXOBLPSHDFT-UHFFFAOYSA-N -1 3 379.850 3.407 20 30 GGEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1 ZINC000416434556 566068182 /nfs/dbraw/zinc/06/81/82/566068182.db2.gz VDEPAPYAZGAPIT-AWEZNQCLSA-N -1 3 399.310 3.091 20 30 GGEDHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000416582902 566090762 /nfs/dbraw/zinc/09/07/62/566090762.db2.gz FDRCXAUMAZCCIK-MEBBXXQBSA-N -1 3 376.400 3.059 20 30 GGEDHM COCC1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000416600345 566093515 /nfs/dbraw/zinc/09/35/15/566093515.db2.gz XPCIPBRCFRCNHU-UHFFFAOYSA-N -1 3 376.400 3.061 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000181598832 566151544 /nfs/dbraw/zinc/15/15/44/566151544.db2.gz FJRKQJUARZBENU-RDJZCZTQSA-N -1 3 380.828 3.159 20 30 GGEDHM C=CCOc1c(Br)cc(CN[C@H]2C=C[C@H](C(=O)[O-])C2)cc1OC ZINC000417621949 566168634 /nfs/dbraw/zinc/16/86/34/566168634.db2.gz NSRWYKKFLRUSPO-STQMWFEESA-N -1 3 382.254 3.141 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(Br)cc1 ZINC000264441791 566215854 /nfs/dbraw/zinc/21/58/54/566215854.db2.gz QZFCNTPSZPVBHE-UHFFFAOYSA-N -1 3 388.265 3.287 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3)C2)c(Cl)c1 ZINC000183534125 566248527 /nfs/dbraw/zinc/24/85/27/566248527.db2.gz AWBIMICAYVSENZ-OAHLLOKOSA-N -1 3 375.881 3.016 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462284779 566274832 /nfs/dbraw/zinc/27/48/32/566274832.db2.gz CJZGFXLZXQRYKT-CYBMUJFWSA-N -1 3 384.791 3.292 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)c(Cl)c1 ZINC000462288499 566275433 /nfs/dbraw/zinc/27/54/33/566275433.db2.gz NAHPUDKKLPRZDW-CYBMUJFWSA-N -1 3 384.791 3.292 20 30 GGEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000556394208 566295334 /nfs/dbraw/zinc/29/53/34/566295334.db2.gz UBTIDNLDZIBQFV-UHFFFAOYSA-N -1 3 383.256 3.167 20 30 GGEDHM C=CCC1([N-]S(=O)(=O)c2cc(F)c(Br)cc2C)CCOCC1 ZINC000625281845 566301378 /nfs/dbraw/zinc/30/13/78/566301378.db2.gz VOHKCBIFSXGMAO-UHFFFAOYSA-N -1 3 392.290 3.300 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420713951 566307166 /nfs/dbraw/zinc/30/71/66/566307166.db2.gz YSOXXAYASPZCIN-YGRLFVJLSA-N -1 3 381.828 3.201 20 30 GGEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1Cl ZINC000509520539 566313510 /nfs/dbraw/zinc/31/35/10/566313510.db2.gz CYYDTPJZTTWLLN-UHFFFAOYSA-N -1 3 388.251 3.395 20 30 GGEDHM N#C[C@@H]1N(C(=O)Cc2ccc(Br)cc2[O-])CCC[C@]12CCCCO2 ZINC000509655996 566326848 /nfs/dbraw/zinc/32/68/48/566326848.db2.gz FFCFRLUVCAQRFN-FUHWJXTLSA-N -1 3 393.281 3.151 20 30 GGEDHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(CC#N)cc1Cl ZINC000421162911 566351119 /nfs/dbraw/zinc/35/11/19/566351119.db2.gz GWSWYMGHZKIHTE-MRXNPFEDSA-N -1 3 378.881 3.405 20 30 GGEDHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(CC#N)cc1Cl ZINC000421162910 566351321 /nfs/dbraw/zinc/35/13/21/566351321.db2.gz GWSWYMGHZKIHTE-INIZCTEOSA-N -1 3 378.881 3.405 20 30 GGEDHM COc1ccc(C#N)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000483331972 566372692 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30 GGEDHM COc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1Br ZINC000626302697 566399309 /nfs/dbraw/zinc/39/93/09/566399309.db2.gz KVLIXQYVKUCEDV-LBPRGKRZSA-N -1 3 389.253 3.266 20 30 GGEDHM C=CCCOCc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000671157827 566402595 /nfs/dbraw/zinc/40/25/95/566402595.db2.gz PGNKEESTKTWPEZ-UHFFFAOYSA-N -1 3 376.214 3.377 20 30 GGEDHM C=CCCOCc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000671157827 566402600 /nfs/dbraw/zinc/40/26/00/566402600.db2.gz PGNKEESTKTWPEZ-UHFFFAOYSA-N -1 3 376.214 3.377 20 30 GGEDHM C=CCCOCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000671157827 566402603 /nfs/dbraw/zinc/40/26/03/566402603.db2.gz PGNKEESTKTWPEZ-UHFFFAOYSA-N -1 3 376.214 3.377 20 30 GGEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)Oc1ccccc1 ZINC000557820046 566422250 /nfs/dbraw/zinc/42/22/50/566422250.db2.gz MRMWGKKLMVLYPT-LBPRGKRZSA-N -1 3 395.278 3.067 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1cc(F)ccc1F ZINC000557813062 566422330 /nfs/dbraw/zinc/42/23/30/566422330.db2.gz OQSUQMUUVGUFSK-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000484694799 566447830 /nfs/dbraw/zinc/44/78/30/566447830.db2.gz PPLYTTWDTBQNGF-UHFFFAOYSA-N -1 3 382.800 3.328 20 30 GGEDHM N#Cc1ccc(SCC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000511265565 566450003 /nfs/dbraw/zinc/45/00/03/566450003.db2.gz JSGWBZIVNUNDPX-UHFFFAOYSA-N -1 3 387.262 3.121 20 30 GGEDHM N#CCSc1cccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000511337996 566455097 /nfs/dbraw/zinc/45/50/97/566455097.db2.gz OUANZOGGUJXRRP-UHFFFAOYSA-N -1 3 387.262 3.387 20 30 GGEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1cccs1 ZINC000558440767 566473221 /nfs/dbraw/zinc/47/32/21/566473221.db2.gz NFNYRSPQNNHBEI-OAHLLOKOSA-N -1 3 384.910 3.311 20 30 GGEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000464415369 566474309 /nfs/dbraw/zinc/47/43/09/566474309.db2.gz WBQIOXJSRCMGMY-CYBMUJFWSA-N -1 3 379.360 3.220 20 30 GGEDHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000538283940 566503698 /nfs/dbraw/zinc/50/36/98/566503698.db2.gz QQBYLUKXIRJZHG-PIGZYNQJSA-N -1 3 382.844 3.405 20 30 GGEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc2ccccc2c1Br ZINC000424210274 566519476 /nfs/dbraw/zinc/51/94/76/566519476.db2.gz CWXYWLRHSGXGIT-INIZCTEOSA-N -1 3 397.294 3.199 20 30 GGEDHM O=C(NCC#Cc1cccc(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000512199920 566519813 /nfs/dbraw/zinc/51/98/13/566519813.db2.gz UMSOTHGQDJDIMF-UHFFFAOYSA-N -1 3 377.213 3.145 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cc(F)cc(Br)c1 ZINC000578662247 566543869 /nfs/dbraw/zinc/54/38/69/566543869.db2.gz WDJISMIVUDOGTQ-CYBMUJFWSA-N -1 3 387.230 3.482 20 30 GGEDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000512724551 566553749 /nfs/dbraw/zinc/55/37/49/566553749.db2.gz FIFCMZBSTROMEZ-UHFFFAOYSA-N -1 3 385.228 3.452 20 30 GGEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000559639066 566563926 /nfs/dbraw/zinc/56/39/26/566563926.db2.gz IPZXORQUXKDHJK-ZDUSSCGKSA-N -1 3 381.251 3.270 20 30 GGEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(CS(C)(=O)=O)o3)sc2C1 ZINC000604565628 566571192 /nfs/dbraw/zinc/57/11/92/566571192.db2.gz XLILJWPFUZURIW-JTQLQIEISA-N -1 3 378.475 3.134 20 30 GGEDHM COc1ccc(S(=O)(=O)[N-]CC(=O)c2ccc(C#N)cc2)c(Cl)c1Cl ZINC000560061249 566593767 /nfs/dbraw/zinc/59/37/67/566593767.db2.gz YJNGEGKRBCPZIW-UHFFFAOYSA-N -1 3 399.255 3.035 20 30 GGEDHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000486504646 566594983 /nfs/dbraw/zinc/59/49/83/566594983.db2.gz YYIBTXSVRPLKNG-UHFFFAOYSA-N -1 3 378.837 3.416 20 30 GGEDHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C#N)c2cccc(C(F)(F)F)c2)s1 ZINC000539950144 566616585 /nfs/dbraw/zinc/61/65/85/566616585.db2.gz SUPBBSSLHVGOBF-GFCCVEGCSA-N -1 3 375.397 3.322 20 30 GGEDHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C#N)c2cccc(C(F)(F)F)c2)s1 ZINC000539950147 566617050 /nfs/dbraw/zinc/61/70/50/566617050.db2.gz SUPBBSSLHVGOBF-LBPRGKRZSA-N -1 3 375.397 3.322 20 30 GGEDHM Cn1c(C(C#N)=C([O-])c2cn3ccc(Br)cc3n2)nc2ccccc21 ZINC000513736904 566620831 /nfs/dbraw/zinc/62/08/31/566620831.db2.gz OOMLGZXKIAFEOO-GFCCVEGCSA-N -1 3 394.232 3.474 20 30 GGEDHM CS[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)(C)C ZINC000579745486 566634944 /nfs/dbraw/zinc/63/49/44/566634944.db2.gz ARZQNNXUHOITBZ-ZDUSSCGKSA-N -1 3 391.356 3.377 20 30 GGEDHM N#Cc1cc([N+](=O)[O-])cnc1[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000486921363 566636067 /nfs/dbraw/zinc/63/60/67/566636067.db2.gz BKXSWYUUHBKGKK-UHFFFAOYSA-N -1 3 376.163 3.493 20 30 GGEDHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-]Cc1coc(-c2cccs2)n1 ZINC000514638411 566658509 /nfs/dbraw/zinc/65/85/09/566658509.db2.gz BGZPFTIIFGWFIB-UHFFFAOYSA-N -1 3 377.422 3.033 20 30 GGEDHM C=C[C@H](CCC(=O)[O-])NCc1cn(-c2ccccc2Br)nc1C ZINC000653504211 566674078 /nfs/dbraw/zinc/67/40/78/566674078.db2.gz LHVJVHBIFUKKHD-CQSZACIVSA-N -1 3 378.270 3.452 20 30 GGEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000580214395 566674392 /nfs/dbraw/zinc/67/43/92/566674392.db2.gz UPEJWFSSWGKAHY-UHFFFAOYSA-N -1 3 393.278 3.205 20 30 GGEDHM O=S(=O)([N-]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 ZINC000487449153 566674545 /nfs/dbraw/zinc/67/45/45/566674545.db2.gz SHXLZPMPQNWRAD-UHFFFAOYSA-N -1 3 375.318 3.314 20 30 GGEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C(C)(C)O1 ZINC000540865321 566676644 /nfs/dbraw/zinc/67/66/44/566676644.db2.gz KATUSSWXESAVNJ-ZDUSSCGKSA-N -1 3 376.400 3.201 20 30 GGEDHM C=CCC1(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCC1 ZINC000561124730 566678573 /nfs/dbraw/zinc/67/85/73/566678573.db2.gz USQJRUBRYABSKX-UHFFFAOYSA-N -1 3 391.320 3.134 20 30 GGEDHM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000540894761 566679082 /nfs/dbraw/zinc/67/90/82/566679082.db2.gz DFSOGGWAPODROJ-DIFFPNOSSA-N -1 3 382.844 3.405 20 30 GGEDHM CO[C@@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000540894760 566680233 /nfs/dbraw/zinc/68/02/33/566680233.db2.gz DFSOGGWAPODROJ-APPDUMDISA-N -1 3 382.844 3.405 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H]2c2ccccc2)c(Cl)c1 ZINC000580389159 566689858 /nfs/dbraw/zinc/68/98/58/566689858.db2.gz VANAJGJVASGMFM-CRAIPNDOSA-N -1 3 376.865 3.268 20 30 GGEDHM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1[N+](=O)[O-] ZINC000488279602 566720196 /nfs/dbraw/zinc/72/01/96/566720196.db2.gz PIVZXXBWGDLSDV-UHFFFAOYSA-N -1 3 385.760 3.068 20 30 GGEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000488453938 566726818 /nfs/dbraw/zinc/72/68/18/566726818.db2.gz XLJAVTIHMKSXED-LSDHHAIUSA-N -1 3 386.901 3.114 20 30 GGEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000468777971 566728366 /nfs/dbraw/zinc/72/83/66/566728366.db2.gz CAIWWTQJJYOXDH-PXAZEXFGSA-N -1 3 388.917 3.360 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c(C(F)(F)F)c1 ZINC000515707839 566728852 /nfs/dbraw/zinc/72/88/52/566728852.db2.gz XFZBGLFQKJNOEG-UHFFFAOYSA-N -1 3 376.306 3.334 20 30 GGEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Br)cn2CC)n1 ZINC000608865807 566739276 /nfs/dbraw/zinc/73/92/76/566739276.db2.gz VFESYMHHURVMFF-JTQLQIEISA-N -1 3 396.266 3.394 20 30 GGEDHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488794517 566747774 /nfs/dbraw/zinc/74/77/74/566747774.db2.gz SBJBNNGWXLIPOJ-ZETCQYMHSA-N -1 3 383.285 3.090 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)cc1F ZINC000427130259 566749876 /nfs/dbraw/zinc/74/98/76/566749876.db2.gz GLLTYUVDVHWQOS-UHFFFAOYSA-N -1 3 382.800 3.313 20 30 GGEDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc(F)c(C#N)c3)o2)cs1 ZINC000488848228 566751859 /nfs/dbraw/zinc/75/18/59/566751859.db2.gz ANPWWPAMZFWISK-UHFFFAOYSA-N -1 3 377.422 3.201 20 30 GGEDHM C[C@@H](C(=O)[N-]CC(F)(F)F)[S@@](=O)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000488856797 566752682 /nfs/dbraw/zinc/75/26/82/566752682.db2.gz GALXSPYHQTVFCC-ZQFIQFRMSA-N -1 3 397.287 3.299 20 30 GGEDHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000427269643 566762311 /nfs/dbraw/zinc/76/23/11/566762311.db2.gz MAPVCPWWCUAFFU-UHFFFAOYSA-N -1 3 382.800 3.328 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cc1F ZINC000427352814 566769516 /nfs/dbraw/zinc/76/95/16/566769516.db2.gz SRIBURFXEHWYRC-UHFFFAOYSA-N -1 3 378.278 3.378 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000581704963 566801066 /nfs/dbraw/zinc/80/10/66/566801066.db2.gz USQGLFYUKQOGCY-DIFFPNOSSA-N -1 3 391.265 3.002 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)ccc2Br)c(F)c1 ZINC000610083426 566804527 /nfs/dbraw/zinc/80/45/27/566804527.db2.gz DDBZNWDLINTFGW-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM CC1(C)C[C@]1(C#N)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000427891454 566804703 /nfs/dbraw/zinc/80/47/03/566804703.db2.gz LFTATYDXSRPBST-MRXNPFEDSA-N -1 3 394.656 3.366 20 30 GGEDHM CC1(C)C[C@]1(C#N)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000427891454 566804708 /nfs/dbraw/zinc/80/47/08/566804708.db2.gz LFTATYDXSRPBST-MRXNPFEDSA-N -1 3 394.656 3.366 20 30 GGEDHM C[C@H](CC#N)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469644135 566805024 /nfs/dbraw/zinc/80/50/24/566805024.db2.gz NHAAIHFZYAXAML-MRVPVSSYSA-N -1 3 382.645 3.318 20 30 GGEDHM C[C@H](CC#N)N(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469644135 566805028 /nfs/dbraw/zinc/80/50/28/566805028.db2.gz NHAAIHFZYAXAML-MRVPVSSYSA-N -1 3 382.645 3.318 20 30 GGEDHM C=CCC(C)(C)CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000489734041 566806915 /nfs/dbraw/zinc/80/69/15/566806915.db2.gz MDFXSENOIWUBCG-UHFFFAOYSA-N -1 3 378.416 3.409 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1cc(F)cc(F)c1 ZINC000581779211 566807010 /nfs/dbraw/zinc/80/70/10/566807010.db2.gz QLDVGVWAUHLZNU-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM C=CCCCS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000489817894 566811154 /nfs/dbraw/zinc/81/11/54/566811154.db2.gz VWDCXTLBRFJJGS-CQSZACIVSA-N -1 3 391.320 3.374 20 30 GGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000517240132 566814002 /nfs/dbraw/zinc/81/40/02/566814002.db2.gz ZEYRRSVMBGQGBS-NHYWBVRUSA-N -1 3 382.283 3.072 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000542692157 566818702 /nfs/dbraw/zinc/81/87/02/566818702.db2.gz ZPNSNGAQTOPGTO-ZDUSSCGKSA-N -1 3 389.235 3.016 20 30 GGEDHM CC[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428373215 566833832 /nfs/dbraw/zinc/83/38/32/566833832.db2.gz KUXSIXKBGOUFEG-CYBMUJFWSA-N -1 3 394.294 3.015 20 30 GGEDHM C=CCCO[C@@H](C)C(=O)Nc1cc([N-]S(=O)(=O)CCC)c(F)cc1F ZINC000517807218 566849114 /nfs/dbraw/zinc/84/91/14/566849114.db2.gz VONLKCXZOUXNMG-NSHDSACASA-N -1 3 376.425 3.036 20 30 GGEDHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1[N+](=O)[O-] ZINC000490471228 566855117 /nfs/dbraw/zinc/85/51/17/566855117.db2.gz RHKCHTUMPZYISO-UHFFFAOYSA-N -1 3 379.825 3.333 20 30 GGEDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)o1 ZINC000490553957 566864413 /nfs/dbraw/zinc/86/44/13/566864413.db2.gz DTHONFWYTYHYPZ-UHFFFAOYSA-N -1 3 398.282 3.048 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2cccc(C(F)(F)F)c2)s1 ZINC000451730193 566871304 /nfs/dbraw/zinc/87/13/04/566871304.db2.gz NMZZQRHXFOCTRD-CYBMUJFWSA-N -1 3 390.408 3.041 20 30 GGEDHM COc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000611016788 566883593 /nfs/dbraw/zinc/88/35/93/566883593.db2.gz UGZATKLZFWKIIE-CQSZACIVSA-N -1 3 378.837 3.022 20 30 GGEDHM COc1ccc2c(c1)OCC[C@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611025029 566883625 /nfs/dbraw/zinc/88/36/25/566883625.db2.gz ZODZBIOGWQKLLM-OAHLLOKOSA-N -1 3 378.837 3.022 20 30 GGEDHM COc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611016717 566883982 /nfs/dbraw/zinc/88/39/82/566883982.db2.gz AZIYWSONSZGAJQ-AWEZNQCLSA-N -1 3 378.837 3.022 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000611016932 566884171 /nfs/dbraw/zinc/88/41/71/566884171.db2.gz FRDPQQWRCRZYKV-CABCVRRESA-N -1 3 395.253 3.294 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c(C(F)(F)F)c1 ZINC000518691516 566898747 /nfs/dbraw/zinc/89/87/47/566898747.db2.gz IQTRWHNAOZPNSK-UHFFFAOYSA-N -1 3 376.306 3.334 20 30 GGEDHM CCc1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)s1 ZINC000563664204 566905679 /nfs/dbraw/zinc/90/56/79/566905679.db2.gz NBVRFXDFLKJQBK-UHFFFAOYSA-N -1 3 385.308 3.423 20 30 GGEDHM C=CCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)n[n-]c1=O ZINC000470823549 566906806 /nfs/dbraw/zinc/90/68/06/566906806.db2.gz VNOSUYPVSNRRBA-LBPRGKRZSA-N -1 3 376.507 3.179 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)c(Cl)c1 ZINC000611538764 566925646 /nfs/dbraw/zinc/92/56/46/566925646.db2.gz UHOUJVKKDHLHAT-UHFFFAOYSA-N -1 3 375.881 3.290 20 30 GGEDHM Cn1c2ccc(Cl)cc2nc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000492374180 566931570 /nfs/dbraw/zinc/93/15/70/566931570.db2.gz GWKPQTXUPWQMKJ-UHFFFAOYSA-N -1 3 395.271 3.230 20 30 GGEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1cccs1 ZINC000563948563 566932411 /nfs/dbraw/zinc/93/24/11/566932411.db2.gz DVMFWQZJNSHPQY-OAHLLOKOSA-N -1 3 384.910 3.311 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544372321 566957646 /nfs/dbraw/zinc/95/76/46/566957646.db2.gz XVSDBOSQVRUMAO-HZMBPMFUSA-N -1 3 394.718 3.362 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)cc1Br ZINC000429907120 566966287 /nfs/dbraw/zinc/96/62/87/566966287.db2.gz BHMNMPAYENQMLL-VIFPVBQESA-N -1 3 379.226 3.034 20 30 GGEDHM N#CCCN(Cc1ccco1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429951089 566969188 /nfs/dbraw/zinc/96/91/88/566969188.db2.gz UTYDOYBVNNRUJT-UHFFFAOYSA-N -1 3 388.225 3.059 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000544600141 566970987 /nfs/dbraw/zinc/97/09/87/566970987.db2.gz BSHKENRWNFYHPC-ZDUSSCGKSA-N -1 3 389.235 3.016 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nc(C(F)(F)F)cs1 ZINC000583669242 566971357 /nfs/dbraw/zinc/97/13/57/566971357.db2.gz FYGVQDWSIFDZRP-SSDOTTSWSA-N -1 3 379.360 3.212 20 30 GGEDHM C=CCCC[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000564521743 566982043 /nfs/dbraw/zinc/98/20/43/566982043.db2.gz QZEORWJXMKZGNC-LLVKDONJSA-N -1 3 379.309 3.133 20 30 GGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000544710324 566984585 /nfs/dbraw/zinc/98/45/85/566984585.db2.gz UZRHUTHKMCJWBX-SNVBAGLBSA-N -1 3 378.288 3.099 20 30 GGEDHM CSc1ccc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000544865438 567002190 /nfs/dbraw/zinc/00/21/90/567002190.db2.gz LYPDYCWQZSDUSH-NSHDSACASA-N -1 3 377.447 3.228 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3CCCCS3)no2)ccc1F ZINC000545105122 567020131 /nfs/dbraw/zinc/02/01/31/567020131.db2.gz QYLFONYDVVGFEP-ZDUSSCGKSA-N -1 3 383.470 3.298 20 30 GGEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(CS(C)(=O)=O)cc2)s1 ZINC000430597024 567024442 /nfs/dbraw/zinc/02/44/42/567024442.db2.gz KVNYYWVZVNMFHD-AWEZNQCLSA-N -1 3 376.503 3.475 20 30 GGEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(CS(C)(=O)=O)c2)s1 ZINC000430594699 567025506 /nfs/dbraw/zinc/02/55/06/567025506.db2.gz SDNPZWMDIYCKPD-CQSZACIVSA-N -1 3 376.503 3.475 20 30 GGEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000613344465 567030703 /nfs/dbraw/zinc/03/07/03/567030703.db2.gz VDGNNNSMBUSNED-OAHLLOKOSA-N -1 3 389.315 3.454 20 30 GGEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000584412082 567040678 /nfs/dbraw/zinc/04/06/78/567040678.db2.gz QXSHWOKTZXZZFI-CYBMUJFWSA-N -1 3 377.691 3.214 20 30 GGEDHM C=C[C@@H]1CCCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000473221266 567068886 /nfs/dbraw/zinc/06/88/86/567068886.db2.gz TXJJPKCUPFYOCM-CQSZACIVSA-N -1 3 376.400 3.258 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)cc2)c(F)c1 ZINC000565459659 567068948 /nfs/dbraw/zinc/06/89/48/567068948.db2.gz OYKWZGNUCFWHHQ-DZGCQCFKSA-N -1 3 395.253 3.294 20 30 GGEDHM COc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000613917491 567070454 /nfs/dbraw/zinc/07/04/54/567070454.db2.gz BCAUPSZKSDWHON-CQSZACIVSA-N -1 3 378.837 3.022 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)c1 ZINC000613912455 567070900 /nfs/dbraw/zinc/07/09/00/567070900.db2.gz OXPIOEMBBGSLPQ-UHFFFAOYSA-N -1 3 375.881 3.290 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000522057950 567097242 /nfs/dbraw/zinc/09/72/42/567097242.db2.gz LWHLPQXMDZHANN-LRDDRELGSA-N -1 3 384.548 3.440 20 30 GGEDHM COC(=O)c1cc(Cl)cc(NC(=O)CSc2ccc(C#N)cc2)c1[O-] ZINC000588096753 567114518 /nfs/dbraw/zinc/11/45/18/567114518.db2.gz NMJPCGHOMIGGGG-UHFFFAOYSA-N -1 3 376.821 3.435 20 30 GGEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)c1 ZINC000474061692 567129108 /nfs/dbraw/zinc/12/91/08/567129108.db2.gz DAVZWSPRECJRJQ-LLVKDONJSA-N -1 3 395.278 3.369 20 30 GGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000432303853 567148457 /nfs/dbraw/zinc/14/84/57/567148457.db2.gz YUTWIFHAMDLTOE-UHFFFAOYSA-N -1 3 386.583 3.334 20 30 GGEDHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1F ZINC000589559557 567183865 /nfs/dbraw/zinc/18/38/65/567183865.db2.gz MLEXIYSAGUCEHV-UHFFFAOYSA-N -1 3 386.763 3.077 20 30 GGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1 ZINC000589594262 567185357 /nfs/dbraw/zinc/18/53/57/567185357.db2.gz QCWDSUAUHFFGJM-UHFFFAOYSA-N -1 3 386.658 3.364 20 30 GGEDHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCCCCC#N ZINC000589836405 567193847 /nfs/dbraw/zinc/19/38/47/567193847.db2.gz RYZMHKDQCLLWMR-UHFFFAOYSA-N -1 3 377.388 3.489 20 30 GGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C)c(I)c2)nc(C)n1 ZINC000524433941 567198838 /nfs/dbraw/zinc/19/88/38/567198838.db2.gz WKDDCYWNHLIASK-ZDUSSCGKSA-N -1 3 391.212 3.497 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CC2)c(F)c1 ZINC000524870092 567218256 /nfs/dbraw/zinc/21/82/56/567218256.db2.gz LKHNMNCTWIPPGC-UHFFFAOYSA-N -1 3 395.253 3.427 20 30 GGEDHM O=S(=O)([N-]CCCOCC(F)(F)F)c1ccc(C(F)(F)F)cc1F ZINC000547714560 567241631 /nfs/dbraw/zinc/24/16/31/567241631.db2.gz HJINVKVIZWOKEL-UHFFFAOYSA-N -1 3 383.285 3.092 20 30 GGEDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000547713101 567242106 /nfs/dbraw/zinc/24/21/06/567242106.db2.gz PONJOACQRDFEIX-UHFFFAOYSA-N -1 3 379.869 3.083 20 30 GGEDHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)C2)c1 ZINC000590763725 567245426 /nfs/dbraw/zinc/24/54/26/567245426.db2.gz SLGHERABZBXOKQ-SHTZXODSSA-N -1 3 376.865 3.445 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2nc3ccccc3s2)c1 ZINC000475552970 567257269 /nfs/dbraw/zinc/25/72/69/567257269.db2.gz NJSXPLKRZPLULQ-UHFFFAOYSA-N -1 3 377.878 3.342 20 30 GGEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1Cl ZINC000475563251 567257961 /nfs/dbraw/zinc/25/79/61/567257961.db2.gz VURLNVLEEOGECG-INIZCTEOSA-N -1 3 398.315 3.446 20 30 GGEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(S(C)(=O)=O)s3)sc2C1 ZINC000567607221 567261523 /nfs/dbraw/zinc/26/15/23/567261523.db2.gz UFTBBJNNNOESGK-VIFPVBQESA-N -1 3 380.516 3.462 20 30 GGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000547951919 567268447 /nfs/dbraw/zinc/26/84/47/567268447.db2.gz YHXFYMAGSLLUGP-HUUCEWRRSA-N -1 3 386.901 3.258 20 30 GGEDHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1C ZINC000525866064 567272452 /nfs/dbraw/zinc/27/24/52/567272452.db2.gz OLLLPNRYGYBIJZ-UHFFFAOYSA-N -1 3 380.853 3.346 20 30 GGEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000567719404 567272545 /nfs/dbraw/zinc/27/25/45/567272545.db2.gz SMHOCVUVRZLWCP-ZDUSSCGKSA-N -1 3 388.917 3.362 20 30 GGEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(C)(C)CC#N ZINC000591330414 567274430 /nfs/dbraw/zinc/27/44/30/567274430.db2.gz ZPQFVBBYNNOJBA-UHFFFAOYSA-N -1 3 375.288 3.066 20 30 GGEDHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000591327966 567274771 /nfs/dbraw/zinc/27/47/71/567274771.db2.gz FKKVNZYLJVHHJM-UHFFFAOYSA-N -1 3 385.205 3.330 20 30 GGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1c(C)noc1C ZINC000433864781 567278423 /nfs/dbraw/zinc/27/84/23/567278423.db2.gz ZCSZXZAZJCXKPG-CQSZACIVSA-N -1 3 398.282 3.355 20 30 GGEDHM N#CCCC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000567947704 567292848 /nfs/dbraw/zinc/29/28/48/567292848.db2.gz VLEAABGRUWOLMO-UHFFFAOYSA-N -1 3 388.265 3.447 20 30 GGEDHM C=CCN1CCC([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000500430163 567320890 /nfs/dbraw/zinc/32/08/90/567320890.db2.gz PHWLDCOVPPUSHY-UHFFFAOYSA-N -1 3 397.953 3.392 20 30 GGEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000500503434 567327403 /nfs/dbraw/zinc/32/74/03/567327403.db2.gz ZDLPEKHTUQFZBJ-JTQLQIEISA-N -1 3 385.205 3.294 20 30 GGEDHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000476506759 567329263 /nfs/dbraw/zinc/32/92/63/567329263.db2.gz MKZZRCRSYOAKIZ-WBVHZDCISA-N -1 3 376.865 3.445 20 30 GGEDHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476507757 567329317 /nfs/dbraw/zinc/32/93/17/567329317.db2.gz IBYKTYZFJSQYDQ-PIGZYNQJSA-N -1 3 382.844 3.405 20 30 GGEDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476507755 567330190 /nfs/dbraw/zinc/33/01/90/567330190.db2.gz IBYKTYZFJSQYDQ-DIFFPNOSSA-N -1 3 382.844 3.405 20 30 GGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000476539160 567333894 /nfs/dbraw/zinc/33/38/94/567333894.db2.gz TYWGMCKTXKLLCG-CQSZACIVSA-N -1 3 396.299 3.422 20 30 GGEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2sccc2Br)c1 ZINC000500692679 567340161 /nfs/dbraw/zinc/34/01/61/567340161.db2.gz CRPCLPZLORPBAK-UHFFFAOYSA-N -1 3 389.271 3.141 20 30 GGEDHM C=CC(C)(C)CNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000456113846 567343040 /nfs/dbraw/zinc/34/30/40/567343040.db2.gz HUEPUKPPCYOWLS-UHFFFAOYSA-N -1 3 396.228 3.075 20 30 GGEDHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000435421591 567361239 /nfs/dbraw/zinc/36/12/39/567361239.db2.gz ILUXSGYENOEPGM-DLBZAZTESA-N -1 3 376.865 3.445 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CC2)s1 ZINC000435431822 567364547 /nfs/dbraw/zinc/36/45/47/567364547.db2.gz GDKBCBWMCZGBMI-UHFFFAOYSA-N -1 3 383.292 3.350 20 30 GGEDHM C=CCC1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000456369399 567367339 /nfs/dbraw/zinc/36/73/39/567367339.db2.gz QHMPKANEBSSITH-UHFFFAOYSA-N -1 3 376.931 3.075 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3Br)CC2)s1 ZINC000435438048 567368042 /nfs/dbraw/zinc/36/80/42/567368042.db2.gz NLVXFELWVSHZPJ-UHFFFAOYSA-N -1 3 397.319 3.392 20 30 GGEDHM Cn1cc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)c2ccc(Cl)cc21 ZINC000435437606 567368255 /nfs/dbraw/zinc/36/82/55/567368255.db2.gz LMLJFMGPOCPLDA-UHFFFAOYSA-N -1 3 379.894 3.286 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3Cl)C2)s1 ZINC000435446363 567369203 /nfs/dbraw/zinc/36/92/03/567369203.db2.gz JWDONSIZBVRPGZ-GFCCVEGCSA-N -1 3 381.910 3.220 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000435442940 567370173 /nfs/dbraw/zinc/37/01/73/567370173.db2.gz NRWJNUNMNGXEMG-UHFFFAOYSA-N -1 3 391.352 3.025 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2csc(CCc3ccccc3)n2)s1 ZINC000435444406 567370184 /nfs/dbraw/zinc/37/01/84/567370184.db2.gz XAEHWTISRPROKP-UHFFFAOYSA-N -1 3 389.527 3.340 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000435444367 567370297 /nfs/dbraw/zinc/37/02/97/567370297.db2.gz WMLGRQLXPXXKAZ-DZGCQCFKSA-N -1 3 386.857 3.221 20 30 GGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000435578484 567375247 /nfs/dbraw/zinc/37/52/47/567375247.db2.gz IEKGGRRNGXYOHB-ZYHUDNBSSA-N -1 3 380.329 3.079 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000435579415 567375993 /nfs/dbraw/zinc/37/59/93/567375993.db2.gz KTNYQUSDNZHLAW-HZMBPMFUSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000435587400 567376934 /nfs/dbraw/zinc/37/69/34/567376934.db2.gz CNHXKRBYYBEQPC-YGRLFVJLSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000435587486 567377073 /nfs/dbraw/zinc/37/70/73/567377073.db2.gz HBSVQJPHPWNEED-HZMBPMFUSA-N -1 3 394.718 3.362 20 30 GGEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000435590411 567377090 /nfs/dbraw/zinc/37/70/90/567377090.db2.gz VXPGEVHDXBBENB-PWSUYJOCSA-N -1 3 380.329 3.079 20 30 GGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000435587487 567377408 /nfs/dbraw/zinc/37/74/08/567377408.db2.gz HBSVQJPHPWNEED-IINYFYTJSA-N -1 3 394.718 3.362 20 30 GGEDHM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)ccc1C#N ZINC000435753630 567387514 /nfs/dbraw/zinc/38/75/14/567387514.db2.gz SHSFLIAJYYIJRX-UHFFFAOYSA-N -1 3 377.853 3.023 20 30 GGEDHM C=C[C@@H]1OCC[C@H]1C(=O)N=c1[nH][n-]c(C)c1-c1ccc(Br)cc1 ZINC000640942600 567402990 /nfs/dbraw/zinc/40/29/90/567402990.db2.gz BSNHEZMFCFIPCC-KGLIPLIRSA-N -1 3 376.254 3.099 20 30 GGEDHM C=CCCO[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(Br)cc1 ZINC000640944231 567403077 /nfs/dbraw/zinc/40/30/77/567403077.db2.gz IGJLGDOXQRYICR-GFCCVEGCSA-N -1 3 378.270 3.489 20 30 GGEDHM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000618715159 567409234 /nfs/dbraw/zinc/40/92/34/567409234.db2.gz ARPDMIBDHUZCRT-AWEZNQCLSA-N -1 3 377.809 3.086 20 30 GGEDHM N#Cc1cccc(CN2CCC([N-]S(=O)(=O)c3sccc3Cl)CC2)c1 ZINC000593668041 567433192 /nfs/dbraw/zinc/43/31/92/567433192.db2.gz COOXPCWYPKLVBA-UHFFFAOYSA-N -1 3 395.937 3.216 20 30 GGEDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C2CC2)cn1 ZINC000528590112 567441982 /nfs/dbraw/zinc/44/19/82/567441982.db2.gz IEZIUCILTDLHAS-KRWDZBQOSA-N -1 3 377.853 3.045 20 30 GGEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000550434297 567446656 /nfs/dbraw/zinc/44/66/56/567446656.db2.gz ULQWXBKPWSMUNY-OAHLLOKOSA-N -1 3 395.253 3.426 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)cc1 ZINC000569952064 567446759 /nfs/dbraw/zinc/44/67/59/567446759.db2.gz CPHDECFSQRPYTL-OAHLLOKOSA-N -1 3 385.272 3.267 20 30 GGEDHM CCc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)s1 ZINC000550434029 567447278 /nfs/dbraw/zinc/44/72/78/567447278.db2.gz JQIOUBCDMOBWTK-UHFFFAOYSA-N -1 3 385.308 3.423 20 30 GGEDHM N#Cc1cc(F)c(NCCNC(=O)c2ccc([O-])cc2)cc1Br ZINC000570126224 567459930 /nfs/dbraw/zinc/45/99/30/567459930.db2.gz HLYVDDOBVIRSFZ-UHFFFAOYSA-N -1 3 378.201 3.007 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2Cl)N2CCCC2)s1 ZINC000619547087 567462900 /nfs/dbraw/zinc/46/29/00/567462900.db2.gz OTKCLOPBNKDNQZ-INIZCTEOSA-N -1 3 395.937 3.389 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2cccc(Br)c2)s1 ZINC000619547534 567463508 /nfs/dbraw/zinc/46/35/08/567463508.db2.gz PFFHKIXVOGHXAX-UHFFFAOYSA-N -1 3 385.308 3.293 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000619547282 567463893 /nfs/dbraw/zinc/46/38/93/567463893.db2.gz PAYYSMRAIAGVEF-GFCCVEGCSA-N -1 3 381.910 3.078 20 30 GGEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000619594488 567468439 /nfs/dbraw/zinc/46/84/39/567468439.db2.gz ACXAMIOYBLMYIX-UHFFFAOYSA-N -1 3 385.205 3.296 20 30 GGEDHM CN(C)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000619798368 567481448 /nfs/dbraw/zinc/48/14/48/567481448.db2.gz ZGZOPNRGTVIBFC-MRXNPFEDSA-N -1 3 398.315 3.446 20 30 GGEDHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000570420437 567483390 /nfs/dbraw/zinc/48/33/90/567483390.db2.gz CVNNVKUYWKVUCP-LLVKDONJSA-N -1 3 383.267 3.213 20 30 GGEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)Oc1ccccc1F ZINC000503431549 567484659 /nfs/dbraw/zinc/48/46/59/567484659.db2.gz IPIPRPDHKZUECA-CYBMUJFWSA-N -1 3 382.844 3.487 20 30 GGEDHM CC[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000478793862 567484733 /nfs/dbraw/zinc/48/47/33/567484733.db2.gz JOTSXHGEFJKGGS-ZDUSSCGKSA-N -1 3 377.853 3.173 20 30 GGEDHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C#N)c1Br)C1CCCC1 ZINC000594697693 567500778 /nfs/dbraw/zinc/50/07/78/567500778.db2.gz PWAXEIBGOMNNTN-CQSZACIVSA-N -1 3 387.299 3.268 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(OC3CCC3)c2)c(Cl)c1 ZINC000503763766 567505471 /nfs/dbraw/zinc/50/54/71/567505471.db2.gz IRQHWHQSNGYNHG-UHFFFAOYSA-N -1 3 377.853 3.016 20 30 GGEDHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000503767823 567505532 /nfs/dbraw/zinc/50/55/32/567505532.db2.gz AEELRYGWFCVNBD-WBVHZDCISA-N -1 3 376.865 3.445 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F ZINC000594752209 567506752 /nfs/dbraw/zinc/50/67/52/567506752.db2.gz MZQILLMOANLJRO-VIFPVBQESA-N -1 3 392.424 3.327 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]Cc1csc(N(C)C)n1 ZINC000594760314 567507517 /nfs/dbraw/zinc/50/75/17/567507517.db2.gz LVTSWAKNMSEHHS-UHFFFAOYSA-N -1 3 392.531 3.082 20 30 GGEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000479145852 567508926 /nfs/dbraw/zinc/50/89/26/567508926.db2.gz CPWVBTUWVQYWQS-UHFFFAOYSA-N -1 3 386.901 3.260 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCOC2(CCC2)C1 ZINC000594765241 567509058 /nfs/dbraw/zinc/50/90/58/567509058.db2.gz VUPZRLHJFATJFT-CQSZACIVSA-N -1 3 376.503 3.461 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000594761034 567509298 /nfs/dbraw/zinc/50/92/98/567509298.db2.gz WIJGYPQMRAINGM-WQVCFCJDSA-N -1 3 376.503 3.173 20 30 GGEDHM CC[C@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@@H](O)C(F)(F)F ZINC000594766625 567509720 /nfs/dbraw/zinc/50/97/20/567509720.db2.gz OYFZJTANZIALPA-WCQYABFASA-N -1 3 392.424 3.062 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C2CC2)C1 ZINC000594769139 567510123 /nfs/dbraw/zinc/51/01/23/567510123.db2.gz SICTZLWIHZLMOK-GOEBONIOSA-N -1 3 376.503 3.317 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000594774031 567510316 /nfs/dbraw/zinc/51/03/16/567510316.db2.gz WCENXNOOHGEFIG-AEFFLSMTSA-N -1 3 376.503 3.317 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCO[C@H](C2CC2)C1 ZINC000594769140 567510524 /nfs/dbraw/zinc/51/05/24/567510524.db2.gz SICTZLWIHZLMOK-HOCLYGCPSA-N -1 3 376.503 3.317 20 30 GGEDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)s1 ZINC000594768674 567510769 /nfs/dbraw/zinc/51/07/69/567510769.db2.gz MWHHGIMSLQMDKN-VIFPVBQESA-N -1 3 378.504 3.281 20 30 GGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]Cc1nnc(C2CC2)s1 ZINC000594783417 567513291 /nfs/dbraw/zinc/51/32/91/567513291.db2.gz GWDDJMXIZKPPKD-UHFFFAOYSA-N -1 3 390.515 3.289 20 30 GGEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(C)(C)CC#N ZINC000594785567 567513696 /nfs/dbraw/zinc/51/36/96/567513696.db2.gz OIYMKMCDPVEGHI-UHFFFAOYSA-N -1 3 389.315 3.456 20 30 GGEDHM CC1(C)CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H]1C#N ZINC000571360975 567556099 /nfs/dbraw/zinc/55/60/99/567556099.db2.gz OSWDXSZTKMRDHM-MRXNPFEDSA-N -1 3 388.265 3.445 20 30 GGEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CCCC1 ZINC000595364209 567559407 /nfs/dbraw/zinc/55/94/07/567559407.db2.gz FOKJHXWMDRCKPS-AWEZNQCLSA-N -1 3 376.400 3.061 20 30 GGEDHM COc1cccc(C2(C[N-]S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)c1 ZINC000571448585 567563292 /nfs/dbraw/zinc/56/32/92/567563292.db2.gz NDLORWBZJZFJNV-UHFFFAOYSA-N -1 3 376.865 3.230 20 30 GGEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000439187403 567570862 /nfs/dbraw/zinc/57/08/62/567570862.db2.gz DYWGGJOKSMDANR-QGZVFWFLSA-N -1 3 378.881 3.250 20 30 GGEDHM N#C[C@H]1CN(Cc2cccc([O-])c2Br)CCN1Cc1ccccc1 ZINC000459291749 567613223 /nfs/dbraw/zinc/61/32/23/567613223.db2.gz INCIQNDDPJDULR-KRWDZBQOSA-N -1 3 386.293 3.365 20 30 GGEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H](c1ccccc1)N(C)C ZINC000440079279 567615454 /nfs/dbraw/zinc/61/54/54/567615454.db2.gz XFENVMPMQBNUOF-FZKQIMNGSA-N -1 3 377.897 3.181 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H](c1ccccc1)N(C)C ZINC000440079282 567615914 /nfs/dbraw/zinc/61/59/14/567615914.db2.gz XFENVMPMQBNUOF-UGSOOPFHSA-N -1 3 377.897 3.181 20 30 GGEDHM N#C[C@H]1CN(Cc2cccc([O-])c2Br)C[C@@]12C(=O)Nc1ccccc12 ZINC000459348556 567616776 /nfs/dbraw/zinc/61/67/76/567616776.db2.gz DPEIHLVKMWBLNA-ORAYPTAESA-N -1 3 398.260 3.000 20 30 GGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCCc1cccc(Cl)c1 ZINC000480776366 567629770 /nfs/dbraw/zinc/62/97/70/567629770.db2.gz FHYMUJUYSYZRIE-UHFFFAOYSA-N -1 3 379.825 3.031 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1c(F)cccc1OC(F)F ZINC000480956322 567645216 /nfs/dbraw/zinc/64/52/16/567645216.db2.gz OHRXMVMEQDBJFP-UHFFFAOYSA-N -1 3 390.770 3.431 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)c(Cl)c1 ZINC000480962099 567646748 /nfs/dbraw/zinc/64/67/48/567646748.db2.gz MCBIOGZYCTYCGZ-UHFFFAOYSA-N -1 3 390.770 3.431 20 30 GGEDHM N#CC1(CS(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)CCCCC1 ZINC000480976537 567647685 /nfs/dbraw/zinc/64/76/85/567647685.db2.gz FYFLBCKXPOKJEO-UHFFFAOYSA-N -1 3 376.400 3.321 20 30 GGEDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)s1 ZINC000553430813 567654061 /nfs/dbraw/zinc/65/40/61/567654061.db2.gz MJHUBUJGHICIBK-SECBINFHSA-N -1 3 386.296 3.125 20 30 GGEDHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553503115 567659064 /nfs/dbraw/zinc/65/90/64/567659064.db2.gz MKLIOCBYOWHKLA-SNVBAGLBSA-N -1 3 377.329 3.131 20 30 GGEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000553559924 567665152 /nfs/dbraw/zinc/66/51/52/567665152.db2.gz SAIUDCXJTBSHMK-SNVBAGLBSA-N -1 3 393.253 3.425 20 30 GGEDHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000572795917 567666071 /nfs/dbraw/zinc/66/60/71/567666071.db2.gz RXUPVMWTASSHKV-MGPLVRAMSA-N -1 3 393.262 3.121 20 30 GGEDHM C[C@H](NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000507243332 567669359 /nfs/dbraw/zinc/66/93/59/567669359.db2.gz LPIMLDISHHCHDJ-LBPRGKRZSA-N -1 3 398.315 3.494 20 30 GGEDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1Cl ZINC000553771819 567681707 /nfs/dbraw/zinc/68/17/07/567681707.db2.gz LXHWJMQCHLAQLP-MRXNPFEDSA-N -1 3 381.885 3.166 20 30 GGEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1Cl ZINC000553771818 567682535 /nfs/dbraw/zinc/68/25/35/567682535.db2.gz LXHWJMQCHLAQLP-INIZCTEOSA-N -1 3 381.885 3.166 20 30 GGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2nc3cc(Cl)ccc3s2)c(F)c1 ZINC000532297968 567707458 /nfs/dbraw/zinc/70/74/58/567707458.db2.gz WXIBOLCOFZRTCE-UHFFFAOYSA-N -1 3 395.868 3.481 20 30 GGEDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)ccc1C ZINC000507951233 567718375 /nfs/dbraw/zinc/71/83/75/567718375.db2.gz OUBQLORHIIQMNJ-UHFFFAOYSA-N -1 3 378.837 3.498 20 30 GGEDHM N#C[C@H]([N-]S(=O)(=O)CCc1ccccc1Br)C1CCCCC1 ZINC000461106654 567719590 /nfs/dbraw/zinc/71/95/90/567719590.db2.gz IQFAOBAFSNAVCJ-INIZCTEOSA-N -1 3 385.327 3.383 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(F)ccc1Br ZINC000443007271 567722955 /nfs/dbraw/zinc/72/29/55/567722955.db2.gz MVFJATYZOLMKDG-UHFFFAOYSA-N -1 3 387.205 3.077 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000443006542 567723040 /nfs/dbraw/zinc/72/30/40/567723040.db2.gz ISEWANOLMPZEIY-UHFFFAOYSA-N -1 3 381.841 3.439 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1coc(-c2cccs2)n1 ZINC000443019528 567724518 /nfs/dbraw/zinc/72/45/18/567724518.db2.gz KVOBGQJVLBQZBN-UHFFFAOYSA-N -1 3 379.850 3.407 20 30 GGEDHM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443014589 567724572 /nfs/dbraw/zinc/72/45/72/567724572.db2.gz PIKWTHYENYYBED-JTQLQIEISA-N -1 3 386.807 3.236 20 30 GGEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)COCc1ccccc1 ZINC000443023776 567724811 /nfs/dbraw/zinc/72/48/11/567724811.db2.gz HTKHWIOPKJNXJV-CQSZACIVSA-N -1 3 378.881 3.343 20 30 GGEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000508067298 567725202 /nfs/dbraw/zinc/72/52/02/567725202.db2.gz ISHYLCJGSHKLRZ-QGZVFWFLSA-N -1 3 386.901 3.116 20 30 GGEDHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000443037757 567725954 /nfs/dbraw/zinc/72/59/54/567725954.db2.gz MPSXKXANBPLANP-UHFFFAOYSA-N -1 3 376.865 3.230 20 30 GGEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000508073996 567726803 /nfs/dbraw/zinc/72/68/03/567726803.db2.gz MXTNBJVAUZNEOF-NSHDSACASA-N -1 3 383.720 3.026 20 30 GGEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000443041755 567727912 /nfs/dbraw/zinc/72/79/12/567727912.db2.gz XZNFJRNHICBOKF-HNNXBMFYSA-N -1 3 381.885 3.166 20 30 GGEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)c(C)c1 ZINC000508085889 567728152 /nfs/dbraw/zinc/72/81/52/567728152.db2.gz QAKARZGDACKQBO-UHFFFAOYSA-N -1 3 381.251 3.439 20 30 GGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc(Br)cc1 ZINC000443070868 567728408 /nfs/dbraw/zinc/72/84/08/567728408.db2.gz RGYSCSZMRLVFOK-UHFFFAOYSA-N -1 3 385.670 3.453 20 30 GGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1nc2cc(Cl)ccc2s1 ZINC000443085139 567730053 /nfs/dbraw/zinc/73/00/53/567730053.db2.gz ADUHSOAPEDOBGH-UHFFFAOYSA-N -1 3 395.868 3.481 20 30 GGEDHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(Cl)c1 ZINC000508110385 567730091 /nfs/dbraw/zinc/73/00/91/567730091.db2.gz DECINRUYUKDBSH-UHFFFAOYSA-N -1 3 378.837 3.416 20 30 GGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000508104733 567730104 /nfs/dbraw/zinc/73/01/04/567730104.db2.gz UJLNEUHPVRHVPP-GFCCVEGCSA-N -1 3 397.747 3.416 20 30 GGEDHM CSc1ccccc1[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443081752 567730480 /nfs/dbraw/zinc/73/04/80/567730480.db2.gz QRRGDAFDJVPHRO-NSHDSACASA-N -1 3 377.447 3.228 20 30 GGEDHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000443089896 567731366 /nfs/dbraw/zinc/73/13/66/567731366.db2.gz WZOOWZHOBXCJNE-UHFFFAOYSA-N -1 3 383.926 3.487 20 30 GGEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000508126497 567732057 /nfs/dbraw/zinc/73/20/57/567732057.db2.gz DWJLBLSUMLMVLE-KRWDZBQOSA-N -1 3 386.901 3.116 20 30 GGEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCCC1 ZINC000533093799 567751466 /nfs/dbraw/zinc/75/14/66/567751466.db2.gz UHZJYBOEKPMFCC-UHFFFAOYSA-N -1 3 384.885 3.144 20 30 GGEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000533095828 567751748 /nfs/dbraw/zinc/75/17/48/567751748.db2.gz WZXMMEUIHSKTJA-INIZCTEOSA-N -1 3 398.315 3.446 20 30 GGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(OC(F)F)cc1 ZINC000533096164 567752438 /nfs/dbraw/zinc/75/24/38/567752438.db2.gz BRQVEWVRACPUQW-UHFFFAOYSA-N -1 3 386.807 3.334 20 30 GGEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)OCCc2sccc21 ZINC000554971116 567759529 /nfs/dbraw/zinc/75/95/29/567759529.db2.gz VMTFOKVHWDNTSP-MRXNPFEDSA-N -1 3 382.894 3.040 20 30 GGEDHM C#C[C@@H](CC)Oc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000225690175 570457309 /nfs/dbraw/zinc/45/73/09/570457309.db2.gz FNHMFMRFDRNJRD-SFHVURJKSA-N -1 3 392.455 3.330 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012539503 570838535 /nfs/dbraw/zinc/83/85/35/570838535.db2.gz NNAVQOXHXHDTRG-IBGZPJMESA-N -1 3 389.459 3.036 20 30 GGEDHM C[C@@]1(c2ccc(C#N)cc2)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000012783030 571036108 /nfs/dbraw/zinc/03/61/08/571036108.db2.gz KKCYQFNVHGNBPL-SFHVURJKSA-N -1 3 395.287 3.221 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](SC)c1ccccc1 ZINC000735419192 598831485 /nfs/dbraw/zinc/83/14/85/598831485.db2.gz PYKWIYCALJXSBX-GOSISDBHSA-N -1 3 379.489 3.486 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](SC)c1ccccc1 ZINC000735419192 598831488 /nfs/dbraw/zinc/83/14/88/598831488.db2.gz PYKWIYCALJXSBX-GOSISDBHSA-N -1 3 379.489 3.486 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000735420906 598849178 /nfs/dbraw/zinc/84/91/78/598849178.db2.gz VMZIFLKKGNSYSS-AWEZNQCLSA-N -1 3 388.435 3.061 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000735420906 598849180 /nfs/dbraw/zinc/84/91/80/598849180.db2.gz VMZIFLKKGNSYSS-AWEZNQCLSA-N -1 3 388.435 3.061 20 30 GGEDHM CC(C)c1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1C(C)(C)C ZINC000735921373 598913312 /nfs/dbraw/zinc/91/33/12/598913312.db2.gz QPRCSEJDHKSNDO-UHFFFAOYSA-N -1 3 378.440 3.066 20 30 GGEDHM CC(C)c1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1C(C)(C)C ZINC000735921373 598913314 /nfs/dbraw/zinc/91/33/14/598913314.db2.gz QPRCSEJDHKSNDO-UHFFFAOYSA-N -1 3 378.440 3.066 20 30 GGEDHM Cc1ccc(-c2nc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cs2)cc1 ZINC000737287724 598913718 /nfs/dbraw/zinc/91/37/18/598913718.db2.gz IWVQYZUPJJDJRJ-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM Cc1ccc(-c2nc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cs2)cc1 ZINC000737287724 598913720 /nfs/dbraw/zinc/91/37/20/598913720.db2.gz IWVQYZUPJJDJRJ-UHFFFAOYSA-N -1 3 387.428 3.423 20 30 GGEDHM N#Cc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1-c1nnn[n-]1 ZINC000737715607 598920180 /nfs/dbraw/zinc/92/01/80/598920180.db2.gz CBLDMGBTQPIDCA-UHFFFAOYSA-N -1 3 393.457 3.105 20 30 GGEDHM N#Cc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1-c1nn[n-]n1 ZINC000737715607 598920182 /nfs/dbraw/zinc/92/01/82/598920182.db2.gz CBLDMGBTQPIDCA-UHFFFAOYSA-N -1 3 393.457 3.105 20 30 GGEDHM CCCN(CC)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736469294 598921694 /nfs/dbraw/zinc/92/16/94/598921694.db2.gz CWBWSNYVEHTURN-UHFFFAOYSA-N -1 3 375.436 3.227 20 30 GGEDHM CCCN(CC)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736469294 598921697 /nfs/dbraw/zinc/92/16/97/598921697.db2.gz CWBWSNYVEHTURN-UHFFFAOYSA-N -1 3 375.436 3.227 20 30 GGEDHM N#Cc1ccc(NC(=O)c2csc(-c3ccccc3F)n2)cc1-c1nnn[n-]1 ZINC000737719039 598927317 /nfs/dbraw/zinc/92/73/17/598927317.db2.gz ONIRPTJLPCFYOX-UHFFFAOYSA-N -1 3 391.391 3.253 20 30 GGEDHM N#Cc1ccc(NC(=O)c2csc(-c3ccccc3F)n2)cc1-c1nn[n-]n1 ZINC000737719039 598927318 /nfs/dbraw/zinc/92/73/18/598927318.db2.gz ONIRPTJLPCFYOX-UHFFFAOYSA-N -1 3 391.391 3.253 20 30 GGEDHM N#Cc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000737716549 598928503 /nfs/dbraw/zinc/92/85/03/598928503.db2.gz RRUNPQSHDZXGIE-UHFFFAOYSA-N -1 3 393.457 3.079 20 30 GGEDHM N#Cc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000737716549 598928505 /nfs/dbraw/zinc/92/85/05/598928505.db2.gz RRUNPQSHDZXGIE-UHFFFAOYSA-N -1 3 393.457 3.079 20 30 GGEDHM N#Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC000737704378 598928527 /nfs/dbraw/zinc/92/85/27/598928527.db2.gz HVNDGAAKTOHRTK-UHFFFAOYSA-N -1 3 382.811 3.189 20 30 GGEDHM N#Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC000737704378 598928529 /nfs/dbraw/zinc/92/85/29/598928529.db2.gz HVNDGAAKTOHRTK-UHFFFAOYSA-N -1 3 382.811 3.189 20 30 GGEDHM CC(C)C[C@@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735756483 598932217 /nfs/dbraw/zinc/93/22/17/598932217.db2.gz OZJSVFSHCNQFKN-KRWDZBQOSA-N -1 3 390.447 3.114 20 30 GGEDHM CC(C)C[C@@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735756483 598932218 /nfs/dbraw/zinc/93/22/18/598932218.db2.gz OZJSVFSHCNQFKN-KRWDZBQOSA-N -1 3 390.447 3.114 20 30 GGEDHM C#CCOc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000735388219 598943504 /nfs/dbraw/zinc/94/35/04/598943504.db2.gz UGPGWYHCXMWHBK-UHFFFAOYSA-N -1 3 392.369 3.317 20 30 GGEDHM C#CCOc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000735388219 598943506 /nfs/dbraw/zinc/94/35/06/598943506.db2.gz UGPGWYHCXMWHBK-UHFFFAOYSA-N -1 3 392.369 3.317 20 30 GGEDHM Cn1nc(-c2ccccc2)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000822704193 607254816 /nfs/dbraw/zinc/25/48/16/607254816.db2.gz JWTYBONXLPXRMA-UHFFFAOYSA-N -1 3 392.854 3.044 20 30 GGEDHM Cn1nc(-c2ccccc2)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000822704193 607254817 /nfs/dbraw/zinc/25/48/17/607254817.db2.gz JWTYBONXLPXRMA-UHFFFAOYSA-N -1 3 392.854 3.044 20 30 GGEDHM C=C(C)CN(CC)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735397709 598986141 /nfs/dbraw/zinc/98/61/41/598986141.db2.gz CILHVXOAWOCTGR-UHFFFAOYSA-N -1 3 377.448 3.484 20 30 GGEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000737710729 598997684 /nfs/dbraw/zinc/99/76/84/598997684.db2.gz BVMPJDIOAOKAKP-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000737710729 598997685 /nfs/dbraw/zinc/99/76/85/598997685.db2.gz BVMPJDIOAOKAKP-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000737712194 599005310 /nfs/dbraw/zinc/00/53/10/599005310.db2.gz OWBZFSKXJFCWLZ-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000737712194 599005312 /nfs/dbraw/zinc/00/53/12/599005312.db2.gz OWBZFSKXJFCWLZ-UHFFFAOYSA-N -1 3 383.371 3.178 20 30 GGEDHM COc1cc(C#N)ccc1OCCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737035566 599010296 /nfs/dbraw/zinc/01/02/96/599010296.db2.gz TXVCKZOWRWHEHK-UHFFFAOYSA-N -1 3 385.424 3.198 20 30 GGEDHM COc1cc(C#N)ccc1OCCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737035566 599010298 /nfs/dbraw/zinc/01/02/98/599010298.db2.gz TXVCKZOWRWHEHK-UHFFFAOYSA-N -1 3 385.424 3.198 20 30 GGEDHM CC(C)C[C@@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735755069 599027948 /nfs/dbraw/zinc/02/79/48/599027948.db2.gz BCEUBQGRQBOTKC-SFHVURJKSA-N -1 3 390.447 3.114 20 30 GGEDHM CC(C)C[C@@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735755069 599027950 /nfs/dbraw/zinc/02/79/50/599027950.db2.gz BCEUBQGRQBOTKC-SFHVURJKSA-N -1 3 390.447 3.114 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc([C@@H](C)OCC)s1 ZINC000819745652 599145166 /nfs/dbraw/zinc/14/51/66/599145166.db2.gz NWQUADCWSCLJOA-CYBMUJFWSA-N -1 3 398.492 3.249 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc([C@@H](C)OCC)s1 ZINC000819745652 599145169 /nfs/dbraw/zinc/14/51/69/599145169.db2.gz NWQUADCWSCLJOA-CYBMUJFWSA-N -1 3 398.492 3.249 20 30 GGEDHM COc1ccc(C=C2Oc3ccc(Br)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737084767 599156400 /nfs/dbraw/zinc/15/64/00/599156400.db2.gz VNMPOHZHRPLFEB-VIZOYTHASA-N -1 3 399.204 3.254 20 30 GGEDHM COc1ccc(C=C2Oc3ccc(Br)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737084767 599156402 /nfs/dbraw/zinc/15/64/02/599156402.db2.gz VNMPOHZHRPLFEB-VIZOYTHASA-N -1 3 399.204 3.254 20 30 GGEDHM COc1ccc(C=CC(=O)c2c(Cl)nc3ccccn32)cc1-c1nnn[n-]1 ZINC000737081544 599156939 /nfs/dbraw/zinc/15/69/39/599156939.db2.gz OUYRDGGURZHUKA-ALCCZGGFSA-N -1 3 380.795 3.073 20 30 GGEDHM COc1ccc(C=CC(=O)c2c(Cl)nc3ccccn32)cc1-c1nn[n-]n1 ZINC000737081544 599156941 /nfs/dbraw/zinc/15/69/41/599156941.db2.gz OUYRDGGURZHUKA-ALCCZGGFSA-N -1 3 380.795 3.073 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccc(C#N)cc1 ZINC000737203944 599157710 /nfs/dbraw/zinc/15/77/10/599157710.db2.gz WRMLBLPRDZCKOH-WDZFZDKYSA-N -1 3 381.399 3.129 20 30 GGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccc(C#N)cc1 ZINC000737203944 599157712 /nfs/dbraw/zinc/15/77/12/599157712.db2.gz WRMLBLPRDZCKOH-WDZFZDKYSA-N -1 3 381.399 3.129 20 30 GGEDHM CCc1nn(C)c(Cl)c1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736705620 599158097 /nfs/dbraw/zinc/15/80/97/599158097.db2.gz LNWYXFBZOAJHCO-UHFFFAOYSA-N -1 3 398.780 3.281 20 30 GGEDHM CCc1nn(C)c(Cl)c1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736705620 599158098 /nfs/dbraw/zinc/15/80/98/599158098.db2.gz LNWYXFBZOAJHCO-UHFFFAOYSA-N -1 3 398.780 3.281 20 30 GGEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cc(Cl)ccc1OCC#N ZINC000736625312 599220723 /nfs/dbraw/zinc/22/07/23/599220723.db2.gz AELSGTFGPHVRRT-UHFFFAOYSA-N -1 3 385.811 3.400 20 30 GGEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cc(Cl)ccc1OCC#N ZINC000736625312 599220726 /nfs/dbraw/zinc/22/07/26/599220726.db2.gz AELSGTFGPHVRRT-UHFFFAOYSA-N -1 3 385.811 3.400 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000735420142 599247929 /nfs/dbraw/zinc/24/79/29/599247929.db2.gz MQXLVPNFZOOGAN-QGZVFWFLSA-N -1 3 389.459 3.338 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000735420142 599247931 /nfs/dbraw/zinc/24/79/31/599247931.db2.gz MQXLVPNFZOOGAN-QGZVFWFLSA-N -1 3 389.459 3.338 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccccc1OC(F)F ZINC000735418131 599290861 /nfs/dbraw/zinc/29/08/61/599290861.db2.gz BLLOIIYPLYBSED-UHFFFAOYSA-N -1 3 399.401 3.225 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccccc1OC(F)F ZINC000735418131 599290865 /nfs/dbraw/zinc/29/08/65/599290865.db2.gz BLLOIIYPLYBSED-UHFFFAOYSA-N -1 3 399.401 3.225 20 30 GGEDHM N#Cc1c(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cn2ccccc12 ZINC000737705747 598249721 /nfs/dbraw/zinc/24/97/21/598249721.db2.gz QQIPDUSBYPIHAP-UHFFFAOYSA-N -1 3 399.458 3.034 20 30 GGEDHM N#Cc1c(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cn2ccccc12 ZINC000737705747 598249723 /nfs/dbraw/zinc/24/97/23/598249723.db2.gz QQIPDUSBYPIHAP-UHFFFAOYSA-N -1 3 399.458 3.034 20 30 GGEDHM COc1ccc(O)c(C(C)=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737105044 598314185 /nfs/dbraw/zinc/31/41/85/598314185.db2.gz CRKBRPXBMYQDFC-UHFFFAOYSA-N -1 3 392.341 3.436 20 30 GGEDHM COc1ccc(O)c(C(C)=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737105044 598314187 /nfs/dbraw/zinc/31/41/87/598314187.db2.gz CRKBRPXBMYQDFC-UHFFFAOYSA-N -1 3 392.341 3.436 20 30 GGEDHM COC(=O)c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000736951613 598316114 /nfs/dbraw/zinc/31/61/14/598316114.db2.gz QHPSIPLGJXAOCG-UHFFFAOYSA-N -1 3 390.325 3.118 20 30 GGEDHM COC(=O)c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000736951613 598316116 /nfs/dbraw/zinc/31/61/16/598316116.db2.gz QHPSIPLGJXAOCG-UHFFFAOYSA-N -1 3 390.325 3.118 20 30 GGEDHM C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736128101 598322043 /nfs/dbraw/zinc/32/20/43/598322043.db2.gz VHAXYPOVHPIYBA-JTQLQIEISA-N -1 3 383.868 3.439 20 30 GGEDHM C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736128101 598322045 /nfs/dbraw/zinc/32/20/45/598322045.db2.gz VHAXYPOVHPIYBA-JTQLQIEISA-N -1 3 383.868 3.439 20 30 GGEDHM N#Cc1ccc(OC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737721024 598326380 /nfs/dbraw/zinc/32/63/80/598326380.db2.gz FQYRQXCXAMCOTR-UHFFFAOYSA-N -1 3 387.355 3.130 20 30 GGEDHM N#Cc1ccc(OC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737721024 598326381 /nfs/dbraw/zinc/32/63/81/598326381.db2.gz FQYRQXCXAMCOTR-UHFFFAOYSA-N -1 3 387.355 3.130 20 30 GGEDHM O=C(OCC#Cc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823396776 607353104 /nfs/dbraw/zinc/35/31/04/607353104.db2.gz NKVPPOYIVZRVLG-UHFFFAOYSA-N -1 3 390.296 3.233 20 30 GGEDHM O=C(OCC#Cc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823396776 607353107 /nfs/dbraw/zinc/35/31/07/607353107.db2.gz NKVPPOYIVZRVLG-UHFFFAOYSA-N -1 3 390.296 3.233 20 30 GGEDHM C[C@@H](Sc1ccc(C#N)cc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736194266 598413931 /nfs/dbraw/zinc/41/39/31/598413931.db2.gz YUMNSWHJGGRJJI-SNVBAGLBSA-N -1 3 396.501 3.408 20 30 GGEDHM C[C@@H](Sc1ccc(C#N)cc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736194266 598413933 /nfs/dbraw/zinc/41/39/33/598413933.db2.gz YUMNSWHJGGRJJI-SNVBAGLBSA-N -1 3 396.501 3.408 20 30 GGEDHM CCc1cc(N=NC(C)c2cccc(-c3nn[n-]n3)c2)nc(-c2ccccn2)n1 ZINC000736677867 598419365 /nfs/dbraw/zinc/41/93/65/598419365.db2.gz PWAHJAJHRZFWCO-UHFFFAOYSA-N -1 3 385.435 3.117 20 30 GGEDHM Cc1ccc(C#N)cc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737305320 598426933 /nfs/dbraw/zinc/42/69/33/598426933.db2.gz GYMJDWCANHZUJP-UHFFFAOYSA-N -1 3 375.436 3.489 20 30 GGEDHM Cc1ccc(C#N)cc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737305320 598426935 /nfs/dbraw/zinc/42/69/35/598426935.db2.gz GYMJDWCANHZUJP-UHFFFAOYSA-N -1 3 375.436 3.489 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CC)c1c(C)noc1C ZINC000735418990 598443402 /nfs/dbraw/zinc/44/34/02/598443402.db2.gz NRHSFFHADXNPCB-KRWDZBQOSA-N -1 3 380.452 3.180 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CC)c1c(C)noc1C ZINC000735418990 598443404 /nfs/dbraw/zinc/44/34/04/598443404.db2.gz NRHSFFHADXNPCB-KRWDZBQOSA-N -1 3 380.452 3.180 20 30 GGEDHM C=C(C)COc1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402167 598444791 /nfs/dbraw/zinc/44/47/91/598444791.db2.gz KSCHZLQMDSNFDS-CQSZACIVSA-N -1 3 379.420 3.228 20 30 GGEDHM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nnn[n-]3)cn1)CCCCCC2 ZINC000737706739 598447455 /nfs/dbraw/zinc/44/74/55/598447455.db2.gz YUZFFTDMDGUMKY-UHFFFAOYSA-N -1 3 379.449 3.106 20 30 GGEDHM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nn[n-]n3)cn1)CCCCCC2 ZINC000737706739 598447456 /nfs/dbraw/zinc/44/74/56/598447456.db2.gz YUZFFTDMDGUMKY-UHFFFAOYSA-N -1 3 379.449 3.106 20 30 GGEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735973327 598491941 /nfs/dbraw/zinc/49/19/41/598491941.db2.gz GECCKBVCZADSHO-CYBMUJFWSA-N -1 3 394.460 3.278 20 30 GGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735506342 598492200 /nfs/dbraw/zinc/49/22/00/598492200.db2.gz WBNKWFBTGWKNQL-ZDUSSCGKSA-N -1 3 394.460 3.136 20 30 GGEDHM C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735506456 598503351 /nfs/dbraw/zinc/50/33/51/598503351.db2.gz WTXPFYTZVJNEJM-CYBMUJFWSA-N -1 3 393.476 3.169 20 30 GGEDHM C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735506456 598503353 /nfs/dbraw/zinc/50/33/53/598503353.db2.gz WTXPFYTZVJNEJM-CYBMUJFWSA-N -1 3 393.476 3.169 20 30 GGEDHM C#CCOc1cccc(NC(=O)N(CC=C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735380150 598513687 /nfs/dbraw/zinc/51/36/87/598513687.db2.gz DJLJNTTVDBPSJJ-UHFFFAOYSA-N -1 3 388.431 3.099 20 30 GGEDHM C#CCOc1cccc(NC(=O)N(CC=C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735380150 598513688 /nfs/dbraw/zinc/51/36/88/598513688.db2.gz DJLJNTTVDBPSJJ-UHFFFAOYSA-N -1 3 388.431 3.099 20 30 GGEDHM C=C(C)CNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735402070 598536996 /nfs/dbraw/zinc/53/69/96/598536996.db2.gz HEMYSMYYULSKGT-UHFFFAOYSA-N -1 3 380.477 3.308 20 30 GGEDHM C=C(C)CNC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735402070 598536998 /nfs/dbraw/zinc/53/69/98/598536998.db2.gz HEMYSMYYULSKGT-UHFFFAOYSA-N -1 3 380.477 3.308 20 30 GGEDHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(C#N)cc1 ZINC000736117865 598561794 /nfs/dbraw/zinc/56/17/94/598561794.db2.gz LHKVWHOJHFYSGF-SNVBAGLBSA-N -1 3 399.361 3.222 20 30 GGEDHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(C#N)cc1 ZINC000736117865 598561795 /nfs/dbraw/zinc/56/17/95/598561795.db2.gz LHKVWHOJHFYSGF-SNVBAGLBSA-N -1 3 399.361 3.222 20 30 GGEDHM C=CCc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000735443220 598587597 /nfs/dbraw/zinc/58/75/97/598587597.db2.gz SXTRYVRDOWVZEN-UHFFFAOYSA-N -1 3 383.383 3.004 20 30 GGEDHM C=CCc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000735443220 598587599 /nfs/dbraw/zinc/58/75/99/598587599.db2.gz SXTRYVRDOWVZEN-UHFFFAOYSA-N -1 3 383.383 3.004 20 30 GGEDHM CC(C)(C#N)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735571678 598591344 /nfs/dbraw/zinc/59/13/44/598591344.db2.gz HBFRVUVTEKMBMD-UHFFFAOYSA-N -1 3 380.383 3.073 20 30 GGEDHM CC(C)(C#N)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735571678 598591346 /nfs/dbraw/zinc/59/13/46/598591346.db2.gz HBFRVUVTEKMBMD-UHFFFAOYSA-N -1 3 380.383 3.073 20 30 GGEDHM CSc1nc(C2CC2)cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C#N ZINC000737188765 598597704 /nfs/dbraw/zinc/59/77/04/598597704.db2.gz GKUKOZAGLHLGMH-UHFFFAOYSA-N -1 3 395.423 3.124 20 30 GGEDHM CSc1nc(C2CC2)cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C#N ZINC000737188765 598597705 /nfs/dbraw/zinc/59/77/05/598597705.db2.gz GKUKOZAGLHLGMH-UHFFFAOYSA-N -1 3 395.423 3.124 20 30 GGEDHM C#Cc1cccc(N(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000735390147 598608465 /nfs/dbraw/zinc/60/84/65/598608465.db2.gz PPPSBGJCZGDDGX-HNNXBMFYSA-N -1 3 375.432 3.057 20 30 GGEDHM N#CCc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000737698124 598648269 /nfs/dbraw/zinc/64/82/69/598648269.db2.gz SYVPWZSSOPKOBH-UHFFFAOYSA-N -1 3 397.398 3.372 20 30 GGEDHM N#CCc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000737698124 598648271 /nfs/dbraw/zinc/64/82/71/598648271.db2.gz SYVPWZSSOPKOBH-UHFFFAOYSA-N -1 3 397.398 3.372 20 30 GGEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735873512 598651271 /nfs/dbraw/zinc/65/12/71/598651271.db2.gz GBTFTVCIXFSDLF-UHFFFAOYSA-N -1 3 392.488 3.268 20 30 GGEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735873512 598651272 /nfs/dbraw/zinc/65/12/72/598651272.db2.gz GBTFTVCIXFSDLF-UHFFFAOYSA-N -1 3 392.488 3.268 20 30 GGEDHM N#Cc1ccc(CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737713453 598652529 /nfs/dbraw/zinc/65/25/29/598652529.db2.gz XQXCSCWQRRHODN-UHFFFAOYSA-N -1 3 390.472 3.022 20 30 GGEDHM N#Cc1ccc(CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737713453 598652530 /nfs/dbraw/zinc/65/25/30/598652530.db2.gz XQXCSCWQRRHODN-UHFFFAOYSA-N -1 3 390.472 3.022 20 30 GGEDHM C#Cc1cccc(N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000735389721 598659627 /nfs/dbraw/zinc/65/96/27/598659627.db2.gz HLYWQNFRJGOZDI-UHFFFAOYSA-N -1 3 377.473 3.382 20 30 GGEDHM C#Cc1cccc(N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000735389721 598659629 /nfs/dbraw/zinc/65/96/29/598659629.db2.gz HLYWQNFRJGOZDI-UHFFFAOYSA-N -1 3 377.473 3.382 20 30 GGEDHM CCN(C[C@H](C)C#N)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736514225 598665881 /nfs/dbraw/zinc/66/58/81/598665881.db2.gz WBMGIZIMWXKNHZ-CQSZACIVSA-N -1 3 376.420 3.281 20 30 GGEDHM CCN(C[C@H](C)C#N)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736514225 598665882 /nfs/dbraw/zinc/66/58/82/598665882.db2.gz WBMGIZIMWXKNHZ-CQSZACIVSA-N -1 3 376.420 3.281 20 30 GGEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000735389760 598735542 /nfs/dbraw/zinc/73/55/42/598735542.db2.gz ILQAJGDQNICKMN-UHFFFAOYSA-N -1 3 382.383 3.288 20 30 GGEDHM CN(Cc1ccc(C#N)cc1)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736816223 598770232 /nfs/dbraw/zinc/77/02/32/598770232.db2.gz AQTCSHZLPYMDMH-UHFFFAOYSA-N -1 3 377.358 3.201 20 30 GGEDHM CN(Cc1ccc(C#N)cc1)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736816223 598770233 /nfs/dbraw/zinc/77/02/33/598770233.db2.gz AQTCSHZLPYMDMH-UHFFFAOYSA-N -1 3 377.358 3.201 20 30 GGEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735505201 598781283 /nfs/dbraw/zinc/78/12/83/598781283.db2.gz PLUBUFHIYHHZFM-CYBMUJFWSA-N -1 3 377.408 3.282 20 30 GGEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735505201 598781284 /nfs/dbraw/zinc/78/12/84/598781284.db2.gz PLUBUFHIYHHZFM-CYBMUJFWSA-N -1 3 377.408 3.282 20 30 GGEDHM CC(N=Nc1nc(-c2ccc(Cl)cc2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000735451139 598788677 /nfs/dbraw/zinc/78/86/77/598788677.db2.gz PRLKGDREIUZTAV-UHFFFAOYSA-N -1 3 380.799 3.406 20 30 GGEDHM CC(N=Nc1nc(-c2ccc(Cl)cc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000735451139 598788678 /nfs/dbraw/zinc/78/86/78/598788678.db2.gz PRLKGDREIUZTAV-UHFFFAOYSA-N -1 3 380.799 3.406 20 30 GGEDHM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819845290 599296452 /nfs/dbraw/zinc/29/64/52/599296452.db2.gz SULXISXNMXCLGO-LBPRGKRZSA-N -1 3 395.398 3.421 20 30 GGEDHM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819845290 599296455 /nfs/dbraw/zinc/29/64/55/599296455.db2.gz SULXISXNMXCLGO-LBPRGKRZSA-N -1 3 395.398 3.421 20 30 GGEDHM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H]2CCCO[C@@H]21 ZINC000820577299 599339533 /nfs/dbraw/zinc/33/95/33/599339533.db2.gz NRVYSCMZEGPIHV-RISCZKNCSA-N -1 3 380.374 3.488 20 30 GGEDHM CC1(C)C(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H]2CCCO[C@@H]21 ZINC000820577299 599339536 /nfs/dbraw/zinc/33/95/36/599339536.db2.gz NRVYSCMZEGPIHV-RISCZKNCSA-N -1 3 380.374 3.488 20 30 GGEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000821104638 599480071 /nfs/dbraw/zinc/48/00/71/599480071.db2.gz LEQHCAJMMXBUFU-OAHLLOKOSA-N -1 3 389.463 3.421 20 30 GGEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000821104638 599480073 /nfs/dbraw/zinc/48/00/73/599480073.db2.gz LEQHCAJMMXBUFU-OAHLLOKOSA-N -1 3 389.463 3.421 20 30 GGEDHM C=CCCCN(C)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735412757 599491694 /nfs/dbraw/zinc/49/16/94/599491694.db2.gz KDMUHDVFMMBBIX-UHFFFAOYSA-N -1 3 383.481 3.344 20 30 GGEDHM C=CCCCN(C)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735412757 599491696 /nfs/dbraw/zinc/49/16/96/599491696.db2.gz KDMUHDVFMMBBIX-UHFFFAOYSA-N -1 3 383.481 3.344 20 30 GGEDHM N#Cc1cc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c2ccccc2n1 ZINC000822823617 599526889 /nfs/dbraw/zinc/52/68/89/599526889.db2.gz UUJRIXBEZJKBRS-UHFFFAOYSA-N -1 3 397.442 3.334 20 30 GGEDHM N#CCC1(COC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000822806912 599626381 /nfs/dbraw/zinc/62/63/81/599626381.db2.gz VPRWCAPLHNSVKS-UHFFFAOYSA-N -1 3 389.415 3.296 20 30 GGEDHM N#CCC1(COC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000822806912 599626382 /nfs/dbraw/zinc/62/63/82/599626382.db2.gz VPRWCAPLHNSVKS-UHFFFAOYSA-N -1 3 389.415 3.296 20 30 GGEDHM N#CCC1(COC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000822805722 599627317 /nfs/dbraw/zinc/62/73/17/599627317.db2.gz BGWOMZZBIIQPKV-UHFFFAOYSA-N -1 3 389.415 3.296 20 30 GGEDHM N#CCC1(COC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000822805722 599627318 /nfs/dbraw/zinc/62/73/18/599627318.db2.gz BGWOMZZBIIQPKV-UHFFFAOYSA-N -1 3 389.415 3.296 20 30 GGEDHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000822233680 599631261 /nfs/dbraw/zinc/63/12/61/599631261.db2.gz SSNGMACDGDFCEW-RBUKOAKNSA-N -1 3 388.431 3.153 20 30 GGEDHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000822233680 599631262 /nfs/dbraw/zinc/63/12/62/599631262.db2.gz SSNGMACDGDFCEW-RBUKOAKNSA-N -1 3 388.431 3.153 20 30 GGEDHM C=CCN(Cc1ccccc1F)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819745969 599678529 /nfs/dbraw/zinc/67/85/29/599678529.db2.gz WZGUVWUHGBEYMX-UHFFFAOYSA-N -1 3 384.390 3.043 20 30 GGEDHM C=CCN(Cc1ccccc1F)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819745969 599678530 /nfs/dbraw/zinc/67/85/30/599678530.db2.gz WZGUVWUHGBEYMX-UHFFFAOYSA-N -1 3 384.390 3.043 20 30 GGEDHM N#CC(C(=O)CCCNC(=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 ZINC000739076235 599799279 /nfs/dbraw/zinc/79/92/79/599799279.db2.gz ZBKYGAVPDKAZLX-HNNXBMFYSA-N -1 3 381.388 3.174 20 30 GGEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737370361 599826499 /nfs/dbraw/zinc/82/64/99/599826499.db2.gz POFDIIPYIJMFTN-UHFFFAOYSA-N -1 3 394.475 3.171 20 30 GGEDHM C=CCC[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000819734220 607408371 /nfs/dbraw/zinc/40/83/71/607408371.db2.gz KHNXJBSWZYBQIM-KRWDZBQOSA-N -1 3 393.447 3.078 20 30 GGEDHM C=CCC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000819734220 607408372 /nfs/dbraw/zinc/40/83/72/607408372.db2.gz KHNXJBSWZYBQIM-KRWDZBQOSA-N -1 3 393.447 3.078 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CC1 ZINC000736095401 599995565 /nfs/dbraw/zinc/99/55/65/599995565.db2.gz USGYOGJPGZWALW-UHFFFAOYSA-N -1 3 375.469 3.334 20 30 GGEDHM N#Cc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)c1 ZINC000739133560 600093038 /nfs/dbraw/zinc/09/30/38/600093038.db2.gz JYIOTWANWLWHAO-UHFFFAOYSA-N -1 3 381.407 3.246 20 30 GGEDHM COc1cccc(OC)c1OC1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738109525 600565176 /nfs/dbraw/zinc/56/51/76/600565176.db2.gz RVRREXOMRLKQLW-HXUWFJFHSA-N -1 3 396.443 3.245 20 30 GGEDHM N#Cc1ccc([C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C(=O)[O-])cc1 ZINC000739108004 600592059 /nfs/dbraw/zinc/59/20/59/600592059.db2.gz SLUHROUHNRHPPB-FQEVSTJZSA-N -1 3 377.444 3.100 20 30 GGEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000736662116 600592951 /nfs/dbraw/zinc/59/29/51/600592951.db2.gz LXVKLNUOCGNLPJ-YJYMSZOUSA-N -1 3 378.432 3.319 20 30 GGEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000736662115 600593222 /nfs/dbraw/zinc/59/32/22/600593222.db2.gz LXVKLNUOCGNLPJ-ORAYPTAESA-N -1 3 378.432 3.319 20 30 GGEDHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OCC(F)(F)F ZINC000737886808 600594630 /nfs/dbraw/zinc/59/46/30/600594630.db2.gz PYWNDQATJCCCDQ-KRWDZBQOSA-N -1 3 394.349 3.423 20 30 GGEDHM N#Cc1ccc([C@H](NCc2cccc(NC(=O)c3ccccn3)c2)C(=O)[O-])cc1 ZINC000739108957 600595147 /nfs/dbraw/zinc/59/51/47/600595147.db2.gz YYTWTTBZVASBKS-FQEVSTJZSA-N -1 3 386.411 3.121 20 30 GGEDHM N#Cc1ccc([C@H](NCc2ccc(NC(=O)c3ccncc3)cc2)C(=O)[O-])cc1 ZINC000739108187 600596920 /nfs/dbraw/zinc/59/69/20/600596920.db2.gz ULNIJVBXQJDVFL-FQEVSTJZSA-N -1 3 386.411 3.121 20 30 GGEDHM CC(C)c1cnc(CN(C)[C@H]2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000827139077 601027525 /nfs/dbraw/zinc/02/75/25/601027525.db2.gz FDOPQUWCSXPCQF-PXNSSMCTSA-N -1 3 382.464 3.002 20 30 GGEDHM CC(C)c1cnc(CN(C)[C@@H]2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000827139079 601028281 /nfs/dbraw/zinc/02/82/81/601028281.db2.gz FDOPQUWCSXPCQF-YLJYHZDGSA-N -1 3 382.464 3.002 20 30 GGEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000833071885 601037473 /nfs/dbraw/zinc/03/74/73/601037473.db2.gz MILVZHVJTFUILT-LJQANCHMSA-N -1 3 381.388 3.136 20 30 GGEDHM Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000832944294 601146122 /nfs/dbraw/zinc/14/61/22/601146122.db2.gz APGWLCUASUVFRW-UHFFFAOYSA-N -1 3 380.448 3.161 20 30 GGEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000827717070 601300236 /nfs/dbraw/zinc/30/02/36/601300236.db2.gz DFMRNQLYXODYBB-DJJJIMSYSA-N -1 3 378.432 3.319 20 30 GGEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000827717057 601300629 /nfs/dbraw/zinc/30/06/29/601300629.db2.gz DFMRNQLYXODYBB-BFUOFWGJSA-N -1 3 378.432 3.319 20 30 GGEDHM CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C(=O)[O-])c3cccc(C#N)c3)ccc2NC1=O ZINC000829170548 601306836 /nfs/dbraw/zinc/30/68/36/601306836.db2.gz VUOYQXJTNAKUQP-LWLIDHTLSA-N -1 3 379.416 3.144 20 30 GGEDHM CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc2NC1=O ZINC000829170549 601307058 /nfs/dbraw/zinc/30/70/58/601307058.db2.gz VUOYQXJTNAKUQP-OYYNGEPBSA-N -1 3 379.416 3.144 20 30 GGEDHM COc1ccc(C(=O)C2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832152623 601310483 /nfs/dbraw/zinc/31/04/83/601310483.db2.gz HWPPHQPJKRWQAV-HXUWFJFHSA-N -1 3 378.428 3.287 20 30 GGEDHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC(F)F ZINC000832310434 601311791 /nfs/dbraw/zinc/31/17/91/601311791.db2.gz ANDKAZFLAUSFNL-QGZVFWFLSA-N -1 3 376.359 3.426 20 30 GGEDHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000833032648 601625832 /nfs/dbraw/zinc/62/58/32/601625832.db2.gz KGOUHMJQBGRFRP-UHFFFAOYSA-N -1 3 383.473 3.477 20 30 GGEDHM C=CCOc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000825698373 601740158 /nfs/dbraw/zinc/74/01/58/601740158.db2.gz HEDBTSWOCHMWDN-HSZRJFAPSA-N -1 3 394.471 3.101 20 30 GGEDHM CN(CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727398 601901143 /nfs/dbraw/zinc/90/11/43/601901143.db2.gz RULWCMWHSLZCDS-GOSISDBHSA-N -1 3 391.349 3.062 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn(CCC(C)C)c1C ZINC000823914917 607536681 /nfs/dbraw/zinc/53/66/81/607536681.db2.gz OUROAMFTKKHQRW-UHFFFAOYSA-N -1 3 393.495 3.246 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnn(CCC(C)C)c1C ZINC000823914917 607536682 /nfs/dbraw/zinc/53/66/82/607536682.db2.gz OUROAMFTKKHQRW-UHFFFAOYSA-N -1 3 393.495 3.246 20 30 GGEDHM CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825638116 607682649 /nfs/dbraw/zinc/68/26/49/607682649.db2.gz FXXOWFBIRKSGBQ-UHFFFAOYSA-N -1 3 376.420 3.134 20 30 GGEDHM CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825638116 607682651 /nfs/dbraw/zinc/68/26/51/607682651.db2.gz FXXOWFBIRKSGBQ-UHFFFAOYSA-N -1 3 376.420 3.134 20 30 GGEDHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)c1ccc(C#N)[nH]1 ZINC000826272188 607724106 /nfs/dbraw/zinc/72/41/06/607724106.db2.gz XWBGQVRDYKJXAO-UHFFFAOYSA-N -1 3 399.414 3.206 20 30 GGEDHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)c1ccc(C#N)[nH]1 ZINC000826272188 607724108 /nfs/dbraw/zinc/72/41/08/607724108.db2.gz XWBGQVRDYKJXAO-UHFFFAOYSA-N -1 3 399.414 3.206 20 30 GGEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CC1 ZINC000833369335 605129940 /nfs/dbraw/zinc/12/99/40/605129940.db2.gz RQJYVVPGBAGEAV-UHFFFAOYSA-N -1 3 396.285 3.309 20 30 GGEDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3cccc(C(=O)[O-])c3C#N)C[C@H]21 ZINC000833439705 605428044 /nfs/dbraw/zinc/42/80/44/605428044.db2.gz WVIYYYAIXODEAQ-KFKAGJAMSA-N -1 3 399.491 3.382 20 30 GGEDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3cccc(C(=O)[O-])c3C#N)C[C@@H]21 ZINC000833439703 605428619 /nfs/dbraw/zinc/42/86/19/605428619.db2.gz WVIYYYAIXODEAQ-AYOQOUSVSA-N -1 3 399.491 3.382 20 30 GGEDHM COCCN(CC#Cc1ccc(Cl)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821689399 606110187 /nfs/dbraw/zinc/11/01/87/606110187.db2.gz YRZQRUKXTAWJJT-UHFFFAOYSA-N -1 3 381.867 3.020 20 30 GGEDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000823078180 606192242 /nfs/dbraw/zinc/19/22/42/606192242.db2.gz HPLVHFQIIVJLIP-UHFFFAOYSA-N -1 3 386.333 3.023 20 30 GGEDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000823078180 606192243 /nfs/dbraw/zinc/19/22/43/606192243.db2.gz HPLVHFQIIVJLIP-UHFFFAOYSA-N -1 3 386.333 3.023 20 30 GGEDHM Fc1cc(F)c(NN=Cc2cc(-c3nnn[n-]3)cs2)c(Br)c1 ZINC000822754235 606206401 /nfs/dbraw/zinc/20/64/01/606206401.db2.gz XMBGKZDBEJFETJ-UHFFFAOYSA-N -1 3 385.197 3.415 20 30 GGEDHM Fc1cc(F)c(NN=Cc2cc(-c3nn[n-]n3)cs2)c(Br)c1 ZINC000822754235 606206402 /nfs/dbraw/zinc/20/64/02/606206402.db2.gz XMBGKZDBEJFETJ-UHFFFAOYSA-N -1 3 385.197 3.415 20 30 GGEDHM Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1ccccc1-c1nnn[n-]1 ZINC000822500936 606207620 /nfs/dbraw/zinc/20/76/20/606207620.db2.gz NDNMVHRMOVUQIP-UHFFFAOYSA-N -1 3 387.447 3.279 20 30 GGEDHM Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1ccccc1-c1nn[n-]n1 ZINC000822500936 606207621 /nfs/dbraw/zinc/20/76/21/606207621.db2.gz NDNMVHRMOVUQIP-UHFFFAOYSA-N -1 3 387.447 3.279 20 30 GGEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1sc(-c2ccccc2)cc1C#N ZINC000822655511 606231594 /nfs/dbraw/zinc/23/15/94/606231594.db2.gz LZTVFJXAIZEBGU-UHFFFAOYSA-N -1 3 375.417 3.058 20 30 GGEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1sc(-c2ccccc2)cc1C#N ZINC000822655511 606231596 /nfs/dbraw/zinc/23/15/96/606231596.db2.gz LZTVFJXAIZEBGU-UHFFFAOYSA-N -1 3 375.417 3.058 20 30 GGEDHM C#CCSCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819709965 606278254 /nfs/dbraw/zinc/27/82/54/606278254.db2.gz VEBQOSMSTFYFDR-UHFFFAOYSA-N -1 3 395.513 3.114 20 30 GGEDHM C#CCSCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819709965 606278255 /nfs/dbraw/zinc/27/82/55/606278255.db2.gz VEBQOSMSTFYFDR-UHFFFAOYSA-N -1 3 395.513 3.114 20 30 GGEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2ccc(Br)cc21 ZINC000823504691 606306855 /nfs/dbraw/zinc/30/68/55/606306855.db2.gz SXGWOZNAXRRDAL-BAQGIRSFSA-N -1 3 389.234 3.349 20 30 GGEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2ccc(Br)cc21 ZINC000823504691 606306856 /nfs/dbraw/zinc/30/68/56/606306856.db2.gz SXGWOZNAXRRDAL-BAQGIRSFSA-N -1 3 389.234 3.349 20 30 GGEDHM CC[C@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820848213 606318040 /nfs/dbraw/zinc/31/80/40/606318040.db2.gz TWYYMDOCFQANNE-LJQANCHMSA-N -1 3 378.461 3.440 20 30 GGEDHM CC[C@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820848213 606318042 /nfs/dbraw/zinc/31/80/42/606318042.db2.gz TWYYMDOCFQANNE-LJQANCHMSA-N -1 3 378.461 3.440 20 30 GGEDHM CC(C)Oc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820174722 606370392 /nfs/dbraw/zinc/37/03/92/606370392.db2.gz WWLHNDJOJYJRSS-UHFFFAOYSA-N -1 3 387.494 3.036 20 30 GGEDHM CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000821346525 606390553 /nfs/dbraw/zinc/39/05/53/606390553.db2.gz LARWRGCPKRRMSH-CSKARUKUSA-N -1 3 384.417 3.219 20 30 GGEDHM CCCCCCC[C@H](C)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821049552 606398508 /nfs/dbraw/zinc/39/85/08/606398508.db2.gz LGEIWIAPBCDKHO-ZDUSSCGKSA-N -1 3 390.463 3.057 20 30 GGEDHM CCCCCCC[C@H](C)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821049552 606398510 /nfs/dbraw/zinc/39/85/10/606398510.db2.gz LGEIWIAPBCDKHO-ZDUSSCGKSA-N -1 3 390.463 3.057 20 30 GGEDHM C=CCSc1ccccc1NC(=O)CNc1cc(-c2nnn[n-]2)ccc1OC ZINC000819758669 606453113 /nfs/dbraw/zinc/45/31/13/606453113.db2.gz FBCBHNCMMDFHBX-UHFFFAOYSA-N -1 3 396.476 3.204 20 30 GGEDHM C=CCSc1ccccc1NC(=O)CNc1cc(-c2nn[n-]n2)ccc1OC ZINC000819758669 606453115 /nfs/dbraw/zinc/45/31/15/606453115.db2.gz FBCBHNCMMDFHBX-UHFFFAOYSA-N -1 3 396.476 3.204 20 30 GGEDHM C#CCN(CC#C)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000819697813 606458898 /nfs/dbraw/zinc/45/88/98/606458898.db2.gz LLAHJFLXWVAUOQ-UHFFFAOYSA-N -1 3 391.818 3.021 20 30 GGEDHM C#CCN(CC#C)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000819697813 606458900 /nfs/dbraw/zinc/45/89/00/606458900.db2.gz LLAHJFLXWVAUOQ-UHFFFAOYSA-N -1 3 391.818 3.021 20 30 GGEDHM N#Cc1cccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC000822837894 606489792 /nfs/dbraw/zinc/48/97/92/606489792.db2.gz XMYNFJRCMLPABX-UHFFFAOYSA-N -1 3 378.461 3.250 20 30 GGEDHM N#Cc1cccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC000822837894 606489793 /nfs/dbraw/zinc/48/97/93/606489793.db2.gz XMYNFJRCMLPABX-UHFFFAOYSA-N -1 3 378.461 3.250 20 30 GGEDHM N#Cc1csc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c1 ZINC000822846011 606495033 /nfs/dbraw/zinc/49/50/33/606495033.db2.gz NLALVEYOSHGELP-UHFFFAOYSA-N -1 3 389.400 3.239 20 30 GGEDHM N#Cc1cccc(CC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c1 ZINC000822837924 606512295 /nfs/dbraw/zinc/51/22/95/606512295.db2.gz YXQOWBUAISYCMK-UHFFFAOYSA-N -1 3 397.398 3.107 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sc([C@@H](C)OC)nc1C ZINC000819745918 606537601 /nfs/dbraw/zinc/53/76/01/606537601.db2.gz UWKWWOLMPVBBJP-CYBMUJFWSA-N -1 3 398.492 3.167 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sc([C@@H](C)OC)nc1C ZINC000819745918 606537603 /nfs/dbraw/zinc/53/76/03/606537603.db2.gz UWKWWOLMPVBBJP-CYBMUJFWSA-N -1 3 398.492 3.167 20 30 GGEDHM N#Cc1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(OC(F)F)c1 ZINC000822825473 606557690 /nfs/dbraw/zinc/55/76/90/606557690.db2.gz HCRZNUSASVKISX-FPLPWBNLSA-N -1 3 397.341 3.096 20 30 GGEDHM N#Cc1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(OC(F)F)c1 ZINC000822825473 606557691 /nfs/dbraw/zinc/55/76/91/606557691.db2.gz HCRZNUSASVKISX-FPLPWBNLSA-N -1 3 397.341 3.096 20 30 GGEDHM N#Cc1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(OC(F)F)c1 ZINC000822825472 606557756 /nfs/dbraw/zinc/55/77/56/606557756.db2.gz HCRZNUSASVKISX-BQYQJAHWSA-N -1 3 397.341 3.096 20 30 GGEDHM N#Cc1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(OC(F)F)c1 ZINC000822825472 606557757 /nfs/dbraw/zinc/55/77/57/606557757.db2.gz HCRZNUSASVKISX-BQYQJAHWSA-N -1 3 397.341 3.096 20 30 GGEDHM N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000822801790 606572442 /nfs/dbraw/zinc/57/24/42/606572442.db2.gz OOZYUJJHWRMYHA-LLVKDONJSA-N -1 3 379.232 3.230 20 30 GGEDHM N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000822801790 606572444 /nfs/dbraw/zinc/57/24/44/606572444.db2.gz OOZYUJJHWRMYHA-LLVKDONJSA-N -1 3 379.232 3.230 20 30 GGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822801602 606577106 /nfs/dbraw/zinc/57/71/06/606577106.db2.gz KSAIVWFSYNZXPI-FUHWJXTLSA-N -1 3 391.410 3.309 20 30 GGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822801602 606577109 /nfs/dbraw/zinc/57/71/09/606577109.db2.gz KSAIVWFSYNZXPI-FUHWJXTLSA-N -1 3 391.410 3.309 20 30 GGEDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1OC(F)F ZINC000819766011 606603322 /nfs/dbraw/zinc/60/33/22/606603322.db2.gz UISSFRPKGDUBQB-DHZHZOJOSA-N -1 3 396.357 3.382 20 30 GGEDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1OC(F)F ZINC000819766011 606603323 /nfs/dbraw/zinc/60/33/23/606603323.db2.gz UISSFRPKGDUBQB-DHZHZOJOSA-N -1 3 396.357 3.382 20 30 GGEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819899216 606640910 /nfs/dbraw/zinc/64/09/10/606640910.db2.gz PIWWPVXRQMNALP-SFHVURJKSA-N -1 3 390.447 3.114 20 30 GGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820093037 606670881 /nfs/dbraw/zinc/67/08/81/606670881.db2.gz RVLFLICWDUCLLZ-UHFFFAOYSA-N -1 3 396.401 3.315 20 30 GGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820093037 606670882 /nfs/dbraw/zinc/67/08/82/606670882.db2.gz RVLFLICWDUCLLZ-UHFFFAOYSA-N -1 3 396.401 3.315 20 30 GGEDHM N#Cc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000822830241 606681255 /nfs/dbraw/zinc/68/12/55/606681255.db2.gz YRSBIXMOADIDTK-UHFFFAOYSA-N -1 3 376.273 3.149 20 30 GGEDHM N#Cc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000822830241 606681256 /nfs/dbraw/zinc/68/12/56/606681256.db2.gz YRSBIXMOADIDTK-UHFFFAOYSA-N -1 3 376.273 3.149 20 30 GGEDHM N#Cc1ccc(Cl)cc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822826346 606781725 /nfs/dbraw/zinc/78/17/25/606781725.db2.gz WKDIGTJTJDUHKK-UHFFFAOYSA-N -1 3 379.767 3.021 20 30 GGEDHM N#Cc1ccc(Cl)cc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822826346 606781726 /nfs/dbraw/zinc/78/17/26/606781726.db2.gz WKDIGTJTJDUHKK-UHFFFAOYSA-N -1 3 379.767 3.021 20 30 GGEDHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NC[C@H](C)C#N ZINC000822211942 606835362 /nfs/dbraw/zinc/83/53/62/606835362.db2.gz UXEMCMKXIBLZAX-CYBMUJFWSA-N -1 3 391.435 3.035 20 30 GGEDHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NC[C@H](C)C#N ZINC000822211942 606835363 /nfs/dbraw/zinc/83/53/63/606835363.db2.gz UXEMCMKXIBLZAX-CYBMUJFWSA-N -1 3 391.435 3.035 20 30 GGEDHM C=CCn1c(SCCCOc2cccc(-c3nnn[n-]3)c2)nnc1C1CC1 ZINC000819765964 606835462 /nfs/dbraw/zinc/83/54/62/606835462.db2.gz TYBJAMRJWRDBRA-UHFFFAOYSA-N -1 3 383.481 3.083 20 30 GGEDHM C=CCn1c(SCCCOc2cccc(-c3nn[n-]n3)c2)nnc1C1CC1 ZINC000819765964 606835463 /nfs/dbraw/zinc/83/54/63/606835463.db2.gz TYBJAMRJWRDBRA-UHFFFAOYSA-N -1 3 383.481 3.083 20 30 GGEDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000820549429 606851167 /nfs/dbraw/zinc/85/11/67/606851167.db2.gz MLIXKSPPODPOCM-LLVKDONJSA-N -1 3 390.900 3.343 20 30 GGEDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000820549429 606851168 /nfs/dbraw/zinc/85/11/68/606851168.db2.gz MLIXKSPPODPOCM-LLVKDONJSA-N -1 3 390.900 3.343 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000819744174 606967122 /nfs/dbraw/zinc/96/71/22/606967122.db2.gz ZBFKRGQSEXWYKK-GOSISDBHSA-N -1 3 390.447 3.006 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000819744174 606967123 /nfs/dbraw/zinc/96/71/23/606967123.db2.gz ZBFKRGQSEXWYKK-GOSISDBHSA-N -1 3 390.447 3.006 20 30 GGEDHM C=CCc1cc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000819758753 606991401 /nfs/dbraw/zinc/99/14/01/606991401.db2.gz GVWGLFDBUYDLJM-UHFFFAOYSA-N -1 3 398.394 3.109 20 30 GGEDHM C=CCc1cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000819758753 606991404 /nfs/dbraw/zinc/99/14/04/606991404.db2.gz GVWGLFDBUYDLJM-UHFFFAOYSA-N -1 3 398.394 3.109 20 30 GGEDHM C=CCC(CC=C)C(=O)O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819734515 607004571 /nfs/dbraw/zinc/00/45/71/607004571.db2.gz PNZLTUWNOYXTKG-LLVKDONJSA-N -1 3 389.843 3.159 20 30 GGEDHM C=CCC(CC=C)C(=O)O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819734515 607004574 /nfs/dbraw/zinc/00/45/74/607004574.db2.gz PNZLTUWNOYXTKG-LLVKDONJSA-N -1 3 389.843 3.159 20 30 GGEDHM C=CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1ccncc1 ZINC000819765353 607037631 /nfs/dbraw/zinc/03/76/31/607037631.db2.gz OXZPDBWBOBAHLD-UHFFFAOYSA-N -1 3 394.439 3.138 20 30 GGEDHM C=CCn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1ccncc1 ZINC000819765353 607037633 /nfs/dbraw/zinc/03/76/33/607037633.db2.gz OXZPDBWBOBAHLD-UHFFFAOYSA-N -1 3 394.439 3.138 20 30 GGEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000820001493 607091066 /nfs/dbraw/zinc/09/10/66/607091066.db2.gz PFJUWGJMQAQDDB-UHFFFAOYSA-N -1 3 396.834 3.272 20 30 GGEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000820001493 607091068 /nfs/dbraw/zinc/09/10/68/607091068.db2.gz PFJUWGJMQAQDDB-UHFFFAOYSA-N -1 3 396.834 3.272 20 30 GGEDHM N#Cc1cccc(-c2nnc(CNc3ccc(-c4nn[n-]n4)cc3Cl)o2)c1 ZINC000822837654 607124207 /nfs/dbraw/zinc/12/42/07/607124207.db2.gz QIWZHSWGNWBXDI-UHFFFAOYSA-N -1 3 378.783 3.054 20 30 GGEDHM CC(C)(C#N)c1ccccc1COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819891592 607154715 /nfs/dbraw/zinc/15/47/15/607154715.db2.gz CCXYCJODHOAIJR-UHFFFAOYSA-N -1 3 383.358 3.303 20 30 GGEDHM CC(C)(C#N)c1ccccc1COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819891592 607154716 /nfs/dbraw/zinc/15/47/16/607154716.db2.gz CCXYCJODHOAIJR-UHFFFAOYSA-N -1 3 383.358 3.303 20 30 GGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000822929271 607185519 /nfs/dbraw/zinc/18/55/19/607185519.db2.gz ROKDIMOOTCHCOC-QPJJXVBHSA-N -1 3 395.850 3.253 20 30 GGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000822929271 607185520 /nfs/dbraw/zinc/18/55/20/607185520.db2.gz ROKDIMOOTCHCOC-QPJJXVBHSA-N -1 3 395.850 3.253 20 30 GGEDHM CCc1c(C)sc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000821465676 607237901 /nfs/dbraw/zinc/23/79/01/607237901.db2.gz NJWTXZLPDHETTA-UHFFFAOYSA-N -1 3 396.476 3.467 20 30 GGEDHM Cc1ccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822263304 607238307 /nfs/dbraw/zinc/23/83/07/607238307.db2.gz LCDOWRAZCUTUNF-UHFFFAOYSA-N -1 3 396.838 3.498 20 30 GGEDHM Cc1ccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822263304 607238308 /nfs/dbraw/zinc/23/83/08/607238308.db2.gz LCDOWRAZCUTUNF-UHFFFAOYSA-N -1 3 396.838 3.498 20 30 GGEDHM N#Cc1ccc(NC(=O)c2ccc(CCC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000826385738 607786105 /nfs/dbraw/zinc/78/61/05/607786105.db2.gz YNYUKRGOMIESIY-UHFFFAOYSA-N -1 3 386.337 3.486 20 30 GGEDHM N#Cc1ccc(NC(=O)c2ccc(CCC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000826385738 607786106 /nfs/dbraw/zinc/78/61/06/607786106.db2.gz YNYUKRGOMIESIY-UHFFFAOYSA-N -1 3 386.337 3.486 20 30 GGEDHM CCN(C(=O)CCCCOc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372147 607797430 /nfs/dbraw/zinc/79/74/30/607797430.db2.gz RNFBEHVCYIPDBC-UHFFFAOYSA-N -1 3 390.447 3.341 20 30 GGEDHM CCN(C(=O)CCCCOc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372147 607797431 /nfs/dbraw/zinc/79/74/31/607797431.db2.gz RNFBEHVCYIPDBC-UHFFFAOYSA-N -1 3 390.447 3.341 20 30 GGEDHM N#Cc1ccc(N2CC[C@@H](Sc3ccc(-c4nnn[n-]4)cc3Cl)C2=O)cc1 ZINC000826385490 607845962 /nfs/dbraw/zinc/84/59/62/607845962.db2.gz OLMMXBBMRJELMT-MRXNPFEDSA-N -1 3 396.863 3.289 20 30 GGEDHM N#Cc1ccc(N2CC[C@@H](Sc3ccc(-c4nn[n-]n4)cc3Cl)C2=O)cc1 ZINC000826385490 607845963 /nfs/dbraw/zinc/84/59/63/607845963.db2.gz OLMMXBBMRJELMT-MRXNPFEDSA-N -1 3 396.863 3.289 20 30 GGEDHM CCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000825372157 607878015 /nfs/dbraw/zinc/87/80/15/607878015.db2.gz RRNKRXDWOKWKDP-UHFFFAOYSA-N -1 3 380.839 3.377 20 30 GGEDHM CCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000825372157 607878016 /nfs/dbraw/zinc/87/80/16/607878016.db2.gz RRNKRXDWOKWKDP-UHFFFAOYSA-N -1 3 380.839 3.377 20 30 GGEDHM CCN(C(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372374 607878042 /nfs/dbraw/zinc/87/80/42/607878042.db2.gz WIMJRAKBWGGCBU-UHFFFAOYSA-N -1 3 380.839 3.377 20 30 GGEDHM CCN(C(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372374 607878043 /nfs/dbraw/zinc/87/80/43/607878043.db2.gz WIMJRAKBWGGCBU-UHFFFAOYSA-N -1 3 380.839 3.377 20 30 GGEDHM C=C(C)[C@@H](CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)OCC ZINC000823874463 607882970 /nfs/dbraw/zinc/88/29/70/607882970.db2.gz XEDDUGQVKUJLJL-MRXNPFEDSA-N -1 3 398.492 3.224 20 30 GGEDHM C=C(C)[C@@H](CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)OCC ZINC000823874463 607882971 /nfs/dbraw/zinc/88/29/71/607882971.db2.gz XEDDUGQVKUJLJL-MRXNPFEDSA-N -1 3 398.492 3.224 20 30 GGEDHM C=CCCOCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823898984 607959107 /nfs/dbraw/zinc/95/91/07/607959107.db2.gz HADJHMBTMQHLIS-UHFFFAOYSA-N -1 3 394.435 3.373 20 30 GGEDHM C=CCCOCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823898984 607959108 /nfs/dbraw/zinc/95/91/08/607959108.db2.gz HADJHMBTMQHLIS-UHFFFAOYSA-N -1 3 394.435 3.373 20 30 GGEDHM Cc1c(C(=O)C=Cc2nc(Cl)cs2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826234186 607981862 /nfs/dbraw/zinc/98/18/62/607981862.db2.gz LLJJTLWJCHFALF-VOTSOKGWSA-N -1 3 397.851 3.367 20 30 GGEDHM C=CCCC(=O)COC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000823888575 608057056 /nfs/dbraw/zinc/05/70/56/608057056.db2.gz QUZAYQPHPAXBEC-UHFFFAOYSA-N -1 3 392.415 3.138 20 30 GGEDHM C=CCCC(=O)COC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000823888575 608057057 /nfs/dbraw/zinc/05/70/57/608057057.db2.gz QUZAYQPHPAXBEC-UHFFFAOYSA-N -1 3 392.415 3.138 20 30 GGEDHM C#CCN(CC)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823845470 608057800 /nfs/dbraw/zinc/05/78/00/608057800.db2.gz UFWDPRWHNJPMLB-UHFFFAOYSA-N -1 3 381.823 3.408 20 30 GGEDHM C#CCN(CC)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823845470 608057801 /nfs/dbraw/zinc/05/78/01/608057801.db2.gz UFWDPRWHNJPMLB-UHFFFAOYSA-N -1 3 381.823 3.408 20 30 GGEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC)c1ccccc1 ZINC000823883620 608137597 /nfs/dbraw/zinc/13/75/97/608137597.db2.gz VPQCAHLPZVNNFL-HNNXBMFYSA-N -1 3 393.447 3.190 20 30 GGEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC)c1ccccc1 ZINC000823883620 608137598 /nfs/dbraw/zinc/13/75/98/608137598.db2.gz VPQCAHLPZVNNFL-HNNXBMFYSA-N -1 3 393.447 3.190 20 30 GGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000823909658 608179692 /nfs/dbraw/zinc/17/96/92/608179692.db2.gz MOJKLGGLHVETRD-ROUUACIJSA-N -1 3 398.511 3.158 20 30 GGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000823909658 608179693 /nfs/dbraw/zinc/17/96/93/608179693.db2.gz MOJKLGGLHVETRD-ROUUACIJSA-N -1 3 398.511 3.158 20 30 GGEDHM N#Cc1c(Cl)cccc1S[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826383000 608207618 /nfs/dbraw/zinc/20/76/18/608207618.db2.gz FKROXALBPZRWMG-MRXNPFEDSA-N -1 3 396.863 3.289 20 30 GGEDHM N#Cc1c(Cl)cccc1S[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826383000 608207619 /nfs/dbraw/zinc/20/76/19/608207619.db2.gz FKROXALBPZRWMG-MRXNPFEDSA-N -1 3 396.863 3.289 20 30 GGEDHM C[C@H]1CC(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)=NO1 ZINC000824891532 608207628 /nfs/dbraw/zinc/20/76/28/608207628.db2.gz ARJVOAQLEMBMBD-JTQLQIEISA-N -1 3 398.810 3.165 20 30 GGEDHM C[C@H]1CC(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nn[n-]n3)c2)=NO1 ZINC000824891532 608207634 /nfs/dbraw/zinc/20/76/34/608207634.db2.gz ARJVOAQLEMBMBD-JTQLQIEISA-N -1 3 398.810 3.165 20 30 GGEDHM C[C@H]1CC(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)=NO1 ZINC000824892271 608207900 /nfs/dbraw/zinc/20/79/00/608207900.db2.gz GEEQZTDSKBSARD-JTQLQIEISA-N -1 3 398.810 3.165 20 30 GGEDHM N#Cc1ccc2nc(N3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)ccc2c1 ZINC000826386107 608227403 /nfs/dbraw/zinc/22/74/03/608227403.db2.gz PFZOQXBVVJSGDY-UHFFFAOYSA-N -1 3 397.442 3.334 20 30 GGEDHM N#Cc1cc([N+](=O)[O-])cnc1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826384438 608296481 /nfs/dbraw/zinc/29/64/81/608296481.db2.gz VZTCGHOSFBEGQT-UHFFFAOYSA-N -1 3 398.386 3.321 20 30 GGEDHM N#Cc1cc([N+](=O)[O-])cnc1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826384438 608296484 /nfs/dbraw/zinc/29/64/84/608296484.db2.gz VZTCGHOSFBEGQT-UHFFFAOYSA-N -1 3 398.386 3.321 20 30 GGEDHM N#Cc1ccc(CC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000826385038 608304514 /nfs/dbraw/zinc/30/45/14/608304514.db2.gz USOUUUUSPVSQFQ-UHFFFAOYSA-N -1 3 394.438 3.264 20 30 GGEDHM N#Cc1ccc(CC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000826385038 608304516 /nfs/dbraw/zinc/30/45/16/608304516.db2.gz USOUUUUSPVSQFQ-UHFFFAOYSA-N -1 3 394.438 3.264 20 30 GGEDHM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1ccccc1C(F)(F)F ZINC000826173095 608322715 /nfs/dbraw/zinc/32/27/15/608322715.db2.gz MTDQOXNKTSAYDB-UHFFFAOYSA-N -1 3 377.326 3.445 20 30 GGEDHM COc1cc(-c2nn[n-]n2)ccc1CON=Cc1ccccc1C(F)(F)F ZINC000826173095 608322717 /nfs/dbraw/zinc/32/27/17/608322717.db2.gz MTDQOXNKTSAYDB-UHFFFAOYSA-N -1 3 377.326 3.445 20 30 GGEDHM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1ccc(Br)cc1 ZINC000826173226 608324444 /nfs/dbraw/zinc/32/44/44/608324444.db2.gz UAHKYRAUEQCJFV-UHFFFAOYSA-N -1 3 388.225 3.189 20 30 GGEDHM COc1cc(-c2nn[n-]n2)ccc1CON=Cc1ccc(Br)cc1 ZINC000826173226 608324446 /nfs/dbraw/zinc/32/44/46/608324446.db2.gz UAHKYRAUEQCJFV-UHFFFAOYSA-N -1 3 388.225 3.189 20 30 GGEDHM CC(C)(C)c1cc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c(C#N)s1 ZINC000824129610 608349291 /nfs/dbraw/zinc/34/92/91/608349291.db2.gz AJNBFVHRKVWSSK-UHFFFAOYSA-N -1 3 382.449 3.115 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1cccc(C#N)c1F ZINC000824207052 608443923 /nfs/dbraw/zinc/44/39/23/608443923.db2.gz ONKWNNISSJVNJJ-GOSISDBHSA-N -1 3 395.394 3.024 20 30 GGEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1cccc(C#N)c1F ZINC000824207052 608443924 /nfs/dbraw/zinc/44/39/24/608443924.db2.gz ONKWNNISSJVNJJ-GOSISDBHSA-N -1 3 395.394 3.024 20 30 GGEDHM N#Cc1ccccc1NC(=S)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826387120 608476224 /nfs/dbraw/zinc/47/62/24/608476224.db2.gz HEEXBYGBVHLMSO-UHFFFAOYSA-N -1 3 387.472 3.224 20 30 GGEDHM N#Cc1ccccc1NC(=S)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826387120 608476225 /nfs/dbraw/zinc/47/62/25/608476225.db2.gz HEEXBYGBVHLMSO-UHFFFAOYSA-N -1 3 387.472 3.224 20 30 GGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2nc(-c3ccccc3)cs2)n1 ZINC000826351120 608540777 /nfs/dbraw/zinc/54/07/77/608540777.db2.gz XRXZGPLUCWKLDR-UHFFFAOYSA-N -1 3 382.840 3.485 20 30 GGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2nc(-c3ccccc3)cs2)n1 ZINC000826351120 608540778 /nfs/dbraw/zinc/54/07/78/608540778.db2.gz XRXZGPLUCWKLDR-UHFFFAOYSA-N -1 3 382.840 3.485 20 30 GGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2csc(-c3ccccc3)n2)n1 ZINC000826350923 608540814 /nfs/dbraw/zinc/54/08/14/608540814.db2.gz QHXRWCGGWKUBIF-UHFFFAOYSA-N -1 3 382.840 3.485 20 30 GGEDHM FC(F)COc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826369580 608541463 /nfs/dbraw/zinc/54/14/63/608541463.db2.gz IVVJZEWZVGCYKT-UHFFFAOYSA-N -1 3 379.758 3.005 20 30 GGEDHM FC(F)COc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826369580 608541465 /nfs/dbraw/zinc/54/14/65/608541465.db2.gz IVVJZEWZVGCYKT-UHFFFAOYSA-N -1 3 379.758 3.005 20 30 GGEDHM C=CCN(Cc1c(Cl)nc(Cl)n1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823915458 608633528 /nfs/dbraw/zinc/63/35/28/608633528.db2.gz YMAOJSVBWIKEER-UHFFFAOYSA-N -1 3 378.267 3.095 20 30 GGEDHM C=CCN(Cc1c(Cl)nc(Cl)n1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823915458 608633533 /nfs/dbraw/zinc/63/35/33/608633533.db2.gz YMAOJSVBWIKEER-UHFFFAOYSA-N -1 3 378.267 3.095 20 30 GGEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1ccco1 ZINC000823937155 608668934 /nfs/dbraw/zinc/66/89/34/608668934.db2.gz KMEKPMYEQQHKRC-UHFFFAOYSA-N -1 3 383.412 3.336 20 30 GGEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1ccco1 ZINC000823937155 608668936 /nfs/dbraw/zinc/66/89/36/608668936.db2.gz KMEKPMYEQQHKRC-UHFFFAOYSA-N -1 3 383.412 3.336 20 30 GGEDHM CCOC(=O)Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825517780 608875893 /nfs/dbraw/zinc/87/58/93/608875893.db2.gz MFTJMLNTKUNLFS-UXBLZVDNSA-N -1 3 380.379 3.008 20 30 GGEDHM CCOC(=O)Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825517780 608875894 /nfs/dbraw/zinc/87/58/94/608875894.db2.gz MFTJMLNTKUNLFS-UXBLZVDNSA-N -1 3 380.379 3.008 20 30 GGEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(F)c(-c4nnn[n-]4)c3)cc21 ZINC000824784121 608879584 /nfs/dbraw/zinc/87/95/84/608879584.db2.gz NPNQEJQYBYYZBS-YWEYNIOJSA-N -1 3 377.379 3.132 20 30 GGEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(F)c(-c4nn[n-]n4)c3)cc21 ZINC000824784121 608879585 /nfs/dbraw/zinc/87/95/85/608879585.db2.gz NPNQEJQYBYYZBS-YWEYNIOJSA-N -1 3 377.379 3.132 20 30 GGEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824034337 609152804 /nfs/dbraw/zinc/15/28/04/609152804.db2.gz IPGZZISWIQUXIA-JTQLQIEISA-N -1 3 383.799 3.455 20 30 GGEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824034337 609152806 /nfs/dbraw/zinc/15/28/06/609152806.db2.gz IPGZZISWIQUXIA-JTQLQIEISA-N -1 3 383.799 3.455 20 30 GGEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824033804 609154333 /nfs/dbraw/zinc/15/43/33/609154333.db2.gz BFIBGQHJPUCGCF-STQMWFEESA-N -1 3 377.408 3.040 20 30 GGEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824033804 609154334 /nfs/dbraw/zinc/15/43/34/609154334.db2.gz BFIBGQHJPUCGCF-STQMWFEESA-N -1 3 377.408 3.040 20 30 GGEDHM C[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824033803 609154573 /nfs/dbraw/zinc/15/45/73/609154573.db2.gz BFIBGQHJPUCGCF-QWHCGFSZSA-N -1 3 377.408 3.040 20 30 GGEDHM C[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824033803 609154574 /nfs/dbraw/zinc/15/45/74/609154574.db2.gz BFIBGQHJPUCGCF-QWHCGFSZSA-N -1 3 377.408 3.040 20 30 GGEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000825318242 609162553 /nfs/dbraw/zinc/16/25/53/609162553.db2.gz KDCUQMCVZKECAC-UHFFFAOYSA-N -1 3 386.459 3.474 20 30 GGEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000825318242 609162554 /nfs/dbraw/zinc/16/25/54/609162554.db2.gz KDCUQMCVZKECAC-UHFFFAOYSA-N -1 3 386.459 3.474 20 30 GGEDHM N#Cc1cccc(-c2c[nH]c(CNc3c(Cl)cccc3-c3nnn[n-]3)n2)c1 ZINC000826386682 609166682 /nfs/dbraw/zinc/16/66/82/609166682.db2.gz OGVCEEHNRHEKHY-UHFFFAOYSA-N -1 3 376.811 3.394 20 30 GGEDHM N#Cc1cccc(-c2c[nH]c(CNc3c(Cl)cccc3-c3nn[n-]n3)n2)c1 ZINC000826386682 609166684 /nfs/dbraw/zinc/16/66/84/609166684.db2.gz OGVCEEHNRHEKHY-UHFFFAOYSA-N -1 3 376.811 3.394 20 30 GGEDHM CC1(C#N)CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000824779955 609173365 /nfs/dbraw/zinc/17/33/65/609173365.db2.gz YPPPFJBPKFIMSB-UHFFFAOYSA-N -1 3 388.431 3.425 20 30 GGEDHM CC1(C#N)CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000824779955 609173366 /nfs/dbraw/zinc/17/33/66/609173366.db2.gz YPPPFJBPKFIMSB-UHFFFAOYSA-N -1 3 388.431 3.425 20 30 GGEDHM C=CCOCCNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000823925334 609177666 /nfs/dbraw/zinc/17/76/66/609177666.db2.gz IFAKSPXJYLSGBN-UHFFFAOYSA-N -1 3 395.488 3.091 20 30 GGEDHM C=CCOCCNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000823925334 609177667 /nfs/dbraw/zinc/17/76/67/609177667.db2.gz IFAKSPXJYLSGBN-UHFFFAOYSA-N -1 3 395.488 3.091 20 30 GGEDHM CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825830825 609234251 /nfs/dbraw/zinc/23/42/51/609234251.db2.gz YZBYQCQTHXLMPJ-UHFFFAOYSA-N -1 3 378.823 3.352 20 30 GGEDHM CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825830825 609234254 /nfs/dbraw/zinc/23/42/54/609234254.db2.gz YZBYQCQTHXLMPJ-UHFFFAOYSA-N -1 3 378.823 3.352 20 30 GGEDHM C[C@@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824715976 609256317 /nfs/dbraw/zinc/25/63/17/609256317.db2.gz VXSFYEPJMKAFJU-AUUYWEPGSA-N -1 3 388.431 3.012 20 30 GGEDHM C[C@@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824715976 609256318 /nfs/dbraw/zinc/25/63/18/609256318.db2.gz VXSFYEPJMKAFJU-AUUYWEPGSA-N -1 3 388.431 3.012 20 30 GGEDHM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826213597 609270226 /nfs/dbraw/zinc/27/02/26/609270226.db2.gz DCLOWXRGCCYAMJ-VURMDHGXSA-N -1 3 390.378 3.301 20 30 GGEDHM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826213597 609270229 /nfs/dbraw/zinc/27/02/29/609270229.db2.gz DCLOWXRGCCYAMJ-VURMDHGXSA-N -1 3 390.378 3.301 20 30 GGEDHM Cc1cccc2c1OCC(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826304906 609309654 /nfs/dbraw/zinc/30/96/54/609309654.db2.gz CNYKXUQHQLDPPG-YVLHZVERSA-N -1 3 398.426 3.234 20 30 GGEDHM Cc1cccc2c1OCC(=Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000826304906 609309655 /nfs/dbraw/zinc/30/96/55/609309655.db2.gz CNYKXUQHQLDPPG-YVLHZVERSA-N -1 3 398.426 3.234 20 30 GGEDHM N#CCc1ccccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826382398 609342479 /nfs/dbraw/zinc/34/24/79/609342479.db2.gz CIZLJSGLPVHLQZ-UHFFFAOYSA-N -1 3 398.220 3.052 20 30 GGEDHM N#CCc1ccccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826382398 609342481 /nfs/dbraw/zinc/34/24/81/609342481.db2.gz CIZLJSGLPVHLQZ-UHFFFAOYSA-N -1 3 398.220 3.052 20 30 GGEDHM CC(C)(C#N)COC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000824059260 609359781 /nfs/dbraw/zinc/35/97/81/609359781.db2.gz RAGZFNQKVFCYRL-UHFFFAOYSA-N -1 3 377.404 3.152 20 30 GGEDHM CC(C)(C#N)COC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000824059260 609359782 /nfs/dbraw/zinc/35/97/82/609359782.db2.gz RAGZFNQKVFCYRL-UHFFFAOYSA-N -1 3 377.404 3.152 20 30 GGEDHM C=C(C)CN(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1 ZINC000823878017 609371092 /nfs/dbraw/zinc/37/10/92/609371092.db2.gz MJNMZLFMHZCNMQ-UHFFFAOYSA-N -1 3 385.516 3.237 20 30 GGEDHM C=C(C)CN(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCCC1 ZINC000823878017 609371093 /nfs/dbraw/zinc/37/10/93/609371093.db2.gz MJNMZLFMHZCNMQ-UHFFFAOYSA-N -1 3 385.516 3.237 20 30 GGEDHM N#Cc1ccccc1S[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826387515 609421653 /nfs/dbraw/zinc/42/16/53/609421653.db2.gz ZASCATLMKLKXLN-QGZVFWFLSA-N -1 3 376.445 3.026 20 30 GGEDHM N#Cc1ccccc1S[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826387515 609421656 /nfs/dbraw/zinc/42/16/56/609421656.db2.gz ZASCATLMKLKXLN-QGZVFWFLSA-N -1 3 376.445 3.026 20 30 GGEDHM Cn1nc(C(F)(F)F)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000826366256 609434117 /nfs/dbraw/zinc/43/41/17/609434117.db2.gz ZLHINWLYPRUBGV-AATRIKPKSA-N -1 3 382.733 3.169 20 30 GGEDHM Cn1nc(C(F)(F)F)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000826366256 609434119 /nfs/dbraw/zinc/43/41/19/609434119.db2.gz ZLHINWLYPRUBGV-AATRIKPKSA-N -1 3 382.733 3.169 20 30 GGEDHM COc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)cc1OCCCC#N ZINC000826203828 609485907 /nfs/dbraw/zinc/48/59/07/609485907.db2.gz IAOMTSUZQDFMCG-UHFFFAOYSA-N -1 3 378.436 3.478 20 30 GGEDHM COc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)cc1OCCCC#N ZINC000826203828 609485908 /nfs/dbraw/zinc/48/59/08/609485908.db2.gz IAOMTSUZQDFMCG-UHFFFAOYSA-N -1 3 378.436 3.478 20 30 GGEDHM C[C@@H](Nc1ncccc1C#N)c1ccc(CNc2ncccc2-c2nnn[n-]2)cc1 ZINC000824669535 609593736 /nfs/dbraw/zinc/59/37/36/609593736.db2.gz DPSDFEVOUNNZMQ-CQSZACIVSA-N -1 3 397.446 3.314 20 30 GGEDHM C[C@@H](Nc1ncccc1C#N)c1ccc(CNc2ncccc2-c2nn[n-]n2)cc1 ZINC000824669535 609593737 /nfs/dbraw/zinc/59/37/37/609593737.db2.gz DPSDFEVOUNNZMQ-CQSZACIVSA-N -1 3 397.446 3.314 20 30 GGEDHM C=CCOCCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000823925298 609607817 /nfs/dbraw/zinc/60/78/17/609607817.db2.gz HKNOBTXIMSNBIJ-UHFFFAOYSA-N -1 3 399.838 3.245 20 30 GGEDHM C#Cc1cccc(NC(=O)CN(C)Cc2cc(=O)oc3cc([O-])c(CC)cc23)c1 ZINC000053206230 1406324159 /nfs/dbraw/zinc/32/41/59/1406324159.db2.gz KONNWNLWLYRCEG-UHFFFAOYSA-N -1 3 390.439 3.113 20 30 GGEDHM COc1cccc([C@@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000054770061 1406821491 /nfs/dbraw/zinc/82/14/91/1406821491.db2.gz YMSHSYDVGNJXIR-FQEVSTJZSA-N -1 3 379.460 3.168 20 30 GGEDHM C=CCOC(=O)c1sc2[n-]c(CC(=O)Nc3ccc(C)cc3)nc(=O)c2c1C ZINC000055502876 1406983923 /nfs/dbraw/zinc/98/39/23/1406983923.db2.gz SRLYALIQQZJCBH-UHFFFAOYSA-N -1 3 397.456 3.125 20 30 GGEDHM Cc1cc(N2CCCC2)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000011573066 1398994411 /nfs/dbraw/zinc/99/44/11/1398994411.db2.gz GJXWJABOBWCYAL-UHFFFAOYSA-N -1 3 378.476 3.343 20 30 GGEDHM COc1cc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1[O-] ZINC000014181182 1399091620 /nfs/dbraw/zinc/09/16/20/1399091620.db2.gz LMMSQHWXHJBLHJ-GORDUTHDSA-N -1 3 389.205 3.229 20 30 GGEDHM CCc1ccc(CC)c(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000017224211 1399276061 /nfs/dbraw/zinc/27/60/61/1399276061.db2.gz UIIOTXLRWFJBER-UHFFFAOYSA-N -1 3 394.471 3.347 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000018151220 1399304238 /nfs/dbraw/zinc/30/42/38/1399304238.db2.gz ZOKQHBPCAITGGN-UHFFFAOYSA-N -1 3 395.503 3.289 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)c1cccc(Cl)c1 ZINC000018341208 1399312743 /nfs/dbraw/zinc/31/27/43/1399312743.db2.gz UQMSISTXHBTZJJ-CYBMUJFWSA-N -1 3 386.835 3.264 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2OCC)ccc1F ZINC000055618540 1407026452 /nfs/dbraw/zinc/02/64/52/1407026452.db2.gz KKSAOLKFRGOMQH-UHFFFAOYSA-N -1 3 392.452 3.249 20 30 GGEDHM CCOc1ccc(/N=C/c2cccc([O-])c2O)cc1S(=O)(=O)N1CCCC1 ZINC000022768346 1399500496 /nfs/dbraw/zinc/50/04/96/1399500496.db2.gz YOBMBLXVSVECRY-DEDYPNTBSA-N -1 3 390.461 3.032 20 30 GGEDHM C=CCN(Cc1ccccc1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000027775860 1400090949 /nfs/dbraw/zinc/09/09/49/1400090949.db2.gz MVSXSWHKQIEBDK-UHFFFAOYSA-N -1 3 383.473 3.268 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cnc3ccccc3c2)ccc1F ZINC000029068091 1400232773 /nfs/dbraw/zinc/23/27/73/1400232773.db2.gz YITNNZYZOZWDTP-UHFFFAOYSA-N -1 3 385.420 3.091 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2cc(C)cc(C)c2)ccc1F ZINC000055898970 1407124195 /nfs/dbraw/zinc/12/41/95/1407124195.db2.gz LGALCBMOPJZBLE-UHFFFAOYSA-N -1 3 376.453 3.183 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055999225 1407166645 /nfs/dbraw/zinc/16/66/45/1407166645.db2.gz UUSCDRXUXJJAKX-GOSISDBHSA-N -1 3 381.451 3.169 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C2CCCC2)ccc1F ZINC000056034997 1407177234 /nfs/dbraw/zinc/17/72/34/1407177234.db2.gz OSUGAIMEZWJTEJ-QGZVFWFLSA-N -1 3 380.485 3.085 20 30 GGEDHM CN(C)C(=O)COc1cccc(C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000044012469 1403859747 /nfs/dbraw/zinc/85/97/47/1403859747.db2.gz WJYIWCHFPVPRMF-RGVLZGJSSA-N -1 3 391.265 3.241 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000044619929 1403964417 /nfs/dbraw/zinc/96/44/17/1403964417.db2.gz JXYRTKZLDAIBMA-LBPRGKRZSA-N -1 3 389.402 3.275 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3cccnc32)ccc1F ZINC000045311029 1404096994 /nfs/dbraw/zinc/09/69/94/1404096994.db2.gz PDXYXWRNMBYMIO-UHFFFAOYSA-N -1 3 385.420 3.091 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)C2CC2)ccc1F ZINC000045357976 1404106370 /nfs/dbraw/zinc/10/63/70/1404106370.db2.gz IFICXVMAQBLJQP-UHFFFAOYSA-N -1 3 388.464 3.095 20 30 GGEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](C)c1cccc(OC)c1 ZINC000045507940 1404134867 /nfs/dbraw/zinc/13/48/67/1404134867.db2.gz ZBZGEZXQYJNQPE-INIZCTEOSA-N -1 3 381.476 3.414 20 30 GGEDHM COc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C(F)(F)F)c1 ZINC000046153668 1404313083 /nfs/dbraw/zinc/31/30/83/1404313083.db2.gz XQXVKASLXBYPND-UHFFFAOYSA-N -1 3 393.365 3.462 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cccc(Cl)c1Cl ZINC000046205909 1404330821 /nfs/dbraw/zinc/33/08/21/1404330821.db2.gz OEYIJDQSHMAENG-UHFFFAOYSA-N -1 3 392.286 3.462 20 30 GGEDHM CN(c1ccccc1)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000046440188 1404415756 /nfs/dbraw/zinc/41/57/56/1404415756.db2.gz BTPMEHPMIRQHGR-LJQANCHMSA-N -1 3 391.452 3.397 20 30 GGEDHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C([O-])=C(C#N)c3ccccn3)cc2)C1 ZINC000046440342 1404416018 /nfs/dbraw/zinc/41/60/18/1404416018.db2.gz QOLAIBYEFYLRRJ-FCEWJHQRSA-N -1 3 397.500 3.238 20 30 GGEDHM CCN(CC)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000046440656 1404416940 /nfs/dbraw/zinc/41/69/40/1404416940.db2.gz IMNXULLTCKAMAX-INIZCTEOSA-N -1 3 396.472 3.083 20 30 GGEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)sc2nc3n(c(=O)c12)CCC3 ZINC000047359344 1404815793 /nfs/dbraw/zinc/81/57/93/1404815793.db2.gz DBKIENDQVQEKRI-NSHDSACASA-N -1 3 389.440 3.079 20 30 GGEDHM 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ZINC000109423752 1411759917 /nfs/dbraw/zinc/75/99/17/1411759917.db2.gz HYWCFHDZWAQNPO-UHFFFAOYSA-N -1 3 399.516 3.312 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000110025322 1411825964 /nfs/dbraw/zinc/82/59/64/1411825964.db2.gz UGDZRPLDYZEKQC-UVQUFPMPSA-N -1 3 393.487 3.173 20 30 GGEDHM C#Cc1cccc(NC(=O)CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000110076688 1411830070 /nfs/dbraw/zinc/83/00/70/1411830070.db2.gz UDLUBZYVFIJFTI-UHFFFAOYSA-N -1 3 384.435 3.333 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(Br)c(F)c1 ZINC000112254066 1412102674 /nfs/dbraw/zinc/10/26/74/1412102674.db2.gz IECSQRKUKQSSNY-UHFFFAOYSA-N -1 3 393.212 3.303 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc(F)cc2)ns1 ZINC000112595346 1412175585 /nfs/dbraw/zinc/17/55/85/1412175585.db2.gz DIJSLTRYEJVAKO-UHFFFAOYSA-N -1 3 397.435 3.092 20 30 GGEDHM O=C(c1ccccc1[O-])N1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177212977 1428635295 /nfs/dbraw/zinc/63/52/95/1428635295.db2.gz 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COc1cc(OC)cc([C@H](O)C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000118169677 1413118238 /nfs/dbraw/zinc/11/82/38/1413118238.db2.gz CRMRATCXYLUIBQ-AHUIGUKZSA-N -1 3 380.238 3.324 20 30 GGEDHM C#CCOCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000119039881 1413313657 /nfs/dbraw/zinc/31/36/57/1413313657.db2.gz QSWDKPVOSPKJBN-UHFFFAOYSA-N -1 3 386.473 3.083 20 30 GGEDHM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000119055648 1413319017 /nfs/dbraw/zinc/31/90/17/1413319017.db2.gz WYEDRSSSUGBCAM-QGZVFWFLSA-N -1 3 393.487 3.041 20 30 GGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccc1F ZINC000119444148 1413448551 /nfs/dbraw/zinc/44/85/51/1413448551.db2.gz MXTCGBHDFSYFEP-UHFFFAOYSA-N -1 3 375.425 3.026 20 30 GGEDHM N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000119643313 1413513557 /nfs/dbraw/zinc/51/35/57/1413513557.db2.gz UTRFJSQFCFTBHD-UHFFFAOYSA-N -1 3 384.823 3.487 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3Cl)c2)cc1 ZINC000120464294 1413824097 /nfs/dbraw/zinc/82/40/97/1413824097.db2.gz POVNQYYMHLOVLQ-INIZCTEOSA-N -1 3 394.818 3.495 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)CC)c2)ccc1F ZINC000120785295 1413902413 /nfs/dbraw/zinc/90/24/13/1413902413.db2.gz BRWKKSSDPGFQSC-UHFFFAOYSA-N -1 3 390.436 3.135 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000121026126 1413980888 /nfs/dbraw/zinc/98/08/88/1413980888.db2.gz QWNYAGKZWQGDGZ-GUYCJALGSA-N -1 3 387.842 3.261 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000121026425 1413981004 /nfs/dbraw/zinc/98/10/04/1413981004.db2.gz QWNYAGKZWQGDGZ-DYVFJYSZSA-N -1 3 387.842 3.261 20 30 GGEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccn1 ZINC000121178229 1414034427 /nfs/dbraw/zinc/03/44/27/1414034427.db2.gz RFLQNIPLRXAQBA-HXUWFJFHSA-N -1 3 379.441 3.030 20 30 GGEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccn1 ZINC000121240661 1414055472 /nfs/dbraw/zinc/05/54/72/1414055472.db2.gz QEUUNAMSZBERHB-HXUWFJFHSA-N -1 3 397.431 3.169 20 30 GGEDHM N#Cc1ccc(C(F)(F)F)c(N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000121450290 1414127689 /nfs/dbraw/zinc/12/76/89/1414127689.db2.gz ACQCISXWDHVLTN-UHFFFAOYSA-N -1 3 375.350 3.245 20 30 GGEDHM CCCC(C#N)(CCC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000121822712 1414269483 /nfs/dbraw/zinc/26/94/83/1414269483.db2.gz OSIMXAHYASZKII-UHFFFAOYSA-N -1 3 397.516 3.495 20 30 GGEDHM COc1ccc2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c(C)nc2c1 ZINC000122072980 1414355608 /nfs/dbraw/zinc/35/56/08/1414355608.db2.gz PIUFURBMJPDXJM-QGZVFWFLSA-N -1 3 375.432 3.360 20 30 GGEDHM C=CCOC(=O)c1sc2[n-]c(Cn3cnc4ccccc43)nc(=O)c2c1C ZINC000122806866 1414569927 /nfs/dbraw/zinc/56/99/27/1414569927.db2.gz YVNPDDCGLSERBC-UHFFFAOYSA-N -1 3 380.429 3.034 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000122816976 1414572673 /nfs/dbraw/zinc/57/26/73/1414572673.db2.gz TVDQGZKDVOPDDO-NHCUHLMSSA-N -1 3 393.487 3.050 20 30 GGEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000122882198 1414588204 /nfs/dbraw/zinc/58/82/04/1414588204.db2.gz ZXPLWXDTPBHGOV-ICSRJNTNSA-N -1 3 397.438 3.319 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000122920283 1414597036 /nfs/dbraw/zinc/59/70/36/1414597036.db2.gz UCAMXARKKDNBEH-UHFFFAOYSA-N -1 3 375.831 3.247 20 30 GGEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)nc2ccccc21 ZINC000123032759 1414623783 /nfs/dbraw/zinc/62/37/83/1414623783.db2.gz XTTXVNCHKGWTQQ-MRXNPFEDSA-N -1 3 386.371 3.157 20 30 GGEDHM CC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000123603674 1414791093 /nfs/dbraw/zinc/79/10/93/1414791093.db2.gz PAEJWSHYOUGCOV-NSHDSACASA-N -1 3 395.843 3.312 20 30 GGEDHM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)n1 ZINC000123689616 1414810300 /nfs/dbraw/zinc/81/03/00/1414810300.db2.gz MNDNEXCBJQHZQC-QGZVFWFLSA-N -1 3 388.427 3.459 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1OCC(F)F ZINC000123813999 1414828050 /nfs/dbraw/zinc/82/80/50/1414828050.db2.gz YLYBOFRMYOSZAR-UHFFFAOYSA-N -1 3 375.375 3.079 20 30 GGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000124009134 1414868634 /nfs/dbraw/zinc/86/86/34/1414868634.db2.gz MUROPYKCBQUEGB-OAHLLOKOSA-N -1 3 399.332 3.247 20 30 GGEDHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000124437996 1414968204 /nfs/dbraw/zinc/96/82/04/1414968204.db2.gz HMYQNNIYHKZSPR-YVEFUNNKSA-N -1 3 392.864 3.040 20 30 GGEDHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000124437735 1414968236 /nfs/dbraw/zinc/96/82/36/1414968236.db2.gz HMYQNNIYHKZSPR-PXAZEXFGSA-N -1 3 392.864 3.040 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000124651633 1415013991 /nfs/dbraw/zinc/01/39/91/1415013991.db2.gz PQLMXNBBVKVZTE-KRWDZBQOSA-N -1 3 399.878 3.129 20 30 GGEDHM Cc1cc(NC(=O)c2ccco2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000125187995 1415126418 /nfs/dbraw/zinc/12/64/18/1415126418.db2.gz FNJXDHODEVSJDL-GFCCVEGCSA-N -1 3 394.412 3.258 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nnn1-c1cccc(Cl)c1 ZINC000125522464 1415219980 /nfs/dbraw/zinc/21/99/80/1415219980.db2.gz ZTPKHIPFSQZZQT-KRWDZBQOSA-N -1 3 393.834 3.499 20 30 GGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nnn(-c3ccc(C)cc3)c2C)cc1 ZINC000125543710 1415223450 /nfs/dbraw/zinc/22/34/50/1415223450.db2.gz WVRDXKTWIHFSLY-IBGZPJMESA-N -1 3 387.443 3.408 20 30 GGEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H](C)C#N)ccc2C)c(C)c1 ZINC000125745039 1415268499 /nfs/dbraw/zinc/26/84/99/1415268499.db2.gz HBGNOFYCAMCNJP-INIZCTEOSA-N -1 3 385.489 3.363 20 30 GGEDHM Cc1ccc(-c2csc3[n-]c(Cn4cnc(C#N)c4C#N)nc(=O)c23)s1 ZINC000126035314 1415341102 /nfs/dbraw/zinc/34/11/02/1415341102.db2.gz NJLXWYVJHLOPGU-UHFFFAOYSA-N -1 3 378.442 3.010 20 30 GGEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3csc(-c4ccoc4)n3)n2)cc1 ZINC000178010083 1428933352 /nfs/dbraw/zinc/93/33/52/1428933352.db2.gz NMMLMNLRNGHURR-UHFFFAOYSA-N -1 3 376.401 3.167 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)Cc2ccc(C)s2)ccc1F ZINC000126978420 1415623632 /nfs/dbraw/zinc/62/36/32/1415623632.db2.gz NDVVSZMGAKWBCS-GFCCVEGCSA-N -1 3 396.509 3.021 20 30 GGEDHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000127316702 1415733788 /nfs/dbraw/zinc/73/37/88/1415733788.db2.gz IMMNHNKHXODCJD-UHFFFAOYSA-N -1 3 387.530 3.216 20 30 GGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3Cl)n2)c1 ZINC000127649971 1415825749 /nfs/dbraw/zinc/82/57/49/1415825749.db2.gz XEICVLVEAYHIQO-OAHLLOKOSA-N -1 3 394.818 3.495 20 30 GGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3Cl)n2)c1 ZINC000127649752 1415825774 /nfs/dbraw/zinc/82/57/74/1415825774.db2.gz XEICVLVEAYHIQO-HNNXBMFYSA-N -1 3 394.818 3.495 20 30 GGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1noc(-c2ccccc2)n1 ZINC000128266282 1415951275 /nfs/dbraw/zinc/95/12/75/1415951275.db2.gz XKOXTXPHUWRJHL-NSHDSACASA-N -1 3 388.836 3.301 20 30 GGEDHM C#CCNC(=O)[C@H](C)S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000128570409 1416016526 /nfs/dbraw/zinc/01/65/26/1416016526.db2.gz VKWRSEVWVSSFTF-QWRGUYRKSA-N -1 3 387.486 3.177 20 30 GGEDHM Cc1ccc(OC(F)F)c(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000128640417 1416031885 /nfs/dbraw/zinc/03/18/85/1416031885.db2.gz OWCNYEXOPMDJCE-UHFFFAOYSA-N -1 3 389.402 3.022 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2F)c1C ZINC000129907153 1416283120 /nfs/dbraw/zinc/28/31/20/1416283120.db2.gz PJVPIJWWTOUATQ-AWEZNQCLSA-N -1 3 392.390 3.290 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccc(F)cc2)c1C ZINC000129908192 1416283178 /nfs/dbraw/zinc/28/31/78/1416283178.db2.gz XXYOFJWNCAYDKW-MRXNPFEDSA-N -1 3 392.390 3.290 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2F)c1C ZINC000129906945 1416283205 /nfs/dbraw/zinc/28/32/05/1416283205.db2.gz PJVPIJWWTOUATQ-CQSZACIVSA-N -1 3 392.390 3.290 20 30 GGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccc(Cl)cc2)c1 ZINC000129988069 1416297074 /nfs/dbraw/zinc/29/70/74/1416297074.db2.gz YIYBAPSSOFAHEA-MRXNPFEDSA-N -1 3 394.818 3.495 20 30 GGEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000130124174 1416322468 /nfs/dbraw/zinc/32/24/68/1416322468.db2.gz JNFBQDPOZKHMLD-LLVKDONJSA-N -1 3 391.742 3.357 20 30 GGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cn(Cc2ccccc2)nn1 ZINC000130188646 1416335494 /nfs/dbraw/zinc/33/54/94/1416335494.db2.gz LQUZBJPGLAVWCY-AWEZNQCLSA-N -1 3 397.797 3.080 20 30 GGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000130427538 1416376281 /nfs/dbraw/zinc/37/62/81/1416376281.db2.gz NBLOEBIGIPOTOI-QMTHXVAHSA-N -1 3 391.371 3.364 20 30 GGEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1 ZINC000130469386 1416382935 /nfs/dbraw/zinc/38/29/35/1416382935.db2.gz KSXLIWIUVGZHEV-XIKOKIGWSA-N -1 3 392.502 3.439 20 30 GGEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc(N)c([N+](=O)[O-])c1 ZINC000130477403 1416385072 /nfs/dbraw/zinc/38/50/72/1416385072.db2.gz CXVFTANMAQXSFE-GFCCVEGCSA-N -1 3 393.186 3.445 20 30 GGEDHM O=C(c1ccc([O-])cc1)N1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000131022337 1416497563 /nfs/dbraw/zinc/49/75/63/1416497563.db2.gz CPXIRFWDWZHITH-UHFFFAOYSA-N -1 3 388.389 3.221 20 30 GGEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ncn(-c2ccccc2)n1 ZINC000131214047 1416524326 /nfs/dbraw/zinc/52/43/26/1416524326.db2.gz MUDCFYLQHZTKCJ-SFHVURJKSA-N -1 3 381.395 3.382 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cc(F)cc(Br)c1 ZINC000131279219 1416534222 /nfs/dbraw/zinc/53/42/22/1416534222.db2.gz HHCBXOBXROCYBK-UHFFFAOYSA-N -1 3 393.212 3.303 20 30 GGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3)nc2C)c1 ZINC000132347996 1416742424 /nfs/dbraw/zinc/74/24/24/1416742424.db2.gz ZLTJLAZKFHUYOO-SFHVURJKSA-N -1 3 386.411 3.422 20 30 GGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000132642903 1416798355 /nfs/dbraw/zinc/79/83/55/1416798355.db2.gz ZLGWUIDOHTUVEF-AWEZNQCLSA-N -1 3 388.177 3.318 20 30 GGEDHM Cc1ccc(Cn2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3F)c2=O)cc1 ZINC000132654219 1416800480 /nfs/dbraw/zinc/80/04/80/1416800480.db2.gz YIYADSDYZFKHTA-UHFFFAOYSA-N -1 3 397.431 3.017 20 30 GGEDHM COc1cc(/C=C2/CCc3[nH]c(=O)ccc3C2=O)cc(Br)c1[O-] ZINC000133308976 1416876995 /nfs/dbraw/zinc/87/69/95/1416876995.db2.gz AHJNFBNDNDEYPH-POHAHGRESA-N -1 3 376.206 3.064 20 30 GGEDHM CCN(CCC#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000133394642 1416885630 /nfs/dbraw/zinc/88/56/30/1416885630.db2.gz PQQNBXAIGIFGDI-UHFFFAOYSA-N -1 3 385.489 3.480 20 30 GGEDHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000134712209 1417115983 /nfs/dbraw/zinc/11/59/83/1417115983.db2.gz DMUXQBOBDAHEEE-SFHVURJKSA-N -1 3 386.473 3.061 20 30 GGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cnn1-c1ccccn1 ZINC000136655219 1417336041 /nfs/dbraw/zinc/33/60/41/1417336041.db2.gz UQFBOWJACMFTNQ-CYBMUJFWSA-N -1 3 397.797 3.329 20 30 GGEDHM COc1ccc([C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(C)C)cc1 ZINC000137639840 1417392044 /nfs/dbraw/zinc/39/20/44/1417392044.db2.gz LWMZBBRGAOZSPM-NRFANRHFSA-N -1 3 381.476 3.318 20 30 GGEDHM CCOc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc(OCC)c1OCC ZINC000138991016 1417444305 /nfs/dbraw/zinc/44/43/05/1417444305.db2.gz ZSRYTQINUVTKBI-OAHLLOKOSA-N -1 3 397.431 3.239 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000145351897 1417687079 /nfs/dbraw/zinc/68/70/79/1417687079.db2.gz WBCVYMGQGXIELU-XMSQKQJNSA-N -1 3 393.487 3.080 20 30 GGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)C[C@@H](C)C#N ZINC000148234002 1417760853 /nfs/dbraw/zinc/76/08/53/1417760853.db2.gz DWJSJQWXDWSBRT-ZDUSSCGKSA-N -1 3 389.452 3.167 20 30 GGEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCC#N)c1ccccc1 ZINC000178883195 1429210410 /nfs/dbraw/zinc/21/04/10/1429210410.db2.gz CSCFJOJJLPFKHM-INIZCTEOSA-N -1 3 392.864 3.450 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C2CCCCC2)nn1C ZINC000151049677 1417862051 /nfs/dbraw/zinc/86/20/51/1417862051.db2.gz IAPRUSFYTMSKQW-UHFFFAOYSA-N -1 3 381.480 3.216 20 30 GGEDHM Cc1cc(F)ccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1 ZINC000179488029 1429390835 /nfs/dbraw/zinc/39/08/35/1429390835.db2.gz AOEMELKWSDHCEX-OAHLLOKOSA-N -1 3 397.797 3.329 20 30 GGEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000179504245 1429399676 /nfs/dbraw/zinc/39/96/76/1429399676.db2.gz LWVSWDTXVASCJN-ODXCJYRJSA-N -1 3 382.420 3.143 20 30 GGEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1C(C)(C)C#N ZINC000821690793 1429500543 /nfs/dbraw/zinc/50/05/43/1429500543.db2.gz ZYMKJEPHUJUWNR-UHFFFAOYSA-N -1 3 390.491 3.316 20 30 GGEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1C(C)(C)C#N ZINC000821690793 1429500549 /nfs/dbraw/zinc/50/05/49/1429500549.db2.gz ZYMKJEPHUJUWNR-UHFFFAOYSA-N -1 3 390.491 3.316 20 30 GGEDHM COc1ccc(C#N)cc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000152496162 1422121221 /nfs/dbraw/zinc/12/12/21/1422121221.db2.gz CZNZUEZIXHPCHU-UHFFFAOYSA-N -1 3 389.440 3.281 20 30 GGEDHM COc1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000821809327 1429543241 /nfs/dbraw/zinc/54/32/41/1429543241.db2.gz NITYZXWXJLHWKM-UHFFFAOYSA-N -1 3 387.365 3.035 20 30 GGEDHM COc1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000821809327 1429543244 /nfs/dbraw/zinc/54/32/44/1429543244.db2.gz NITYZXWXJLHWKM-UHFFFAOYSA-N -1 3 387.365 3.035 20 30 GGEDHM N#CCc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)cc1 ZINC000153955285 1422816594 /nfs/dbraw/zinc/81/65/94/1422816594.db2.gz XAKDJZYZZZLMIS-UHFFFAOYSA-N -1 3 387.530 3.102 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2N(C)CC[C@H]1C ZINC000154306221 1422870094 /nfs/dbraw/zinc/87/00/94/1422870094.db2.gz FOTODUJHCRFNBK-CQSZACIVSA-N -1 3 378.476 3.058 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000155258928 1423282360 /nfs/dbraw/zinc/28/23/60/1423282360.db2.gz WSUORXFZGBQRNM-INIZCTEOSA-N -1 3 392.503 3.274 20 30 GGEDHM N#C[C@@H]1CC[C@@H](OC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000179928538 1429646180 /nfs/dbraw/zinc/64/61/80/1429646180.db2.gz QMKFVJOKDKVQQI-UKRRQHHQSA-N -1 3 388.420 3.476 20 30 GGEDHM N#C[C@@H]1CC[C@H](OC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000179928553 1429646264 /nfs/dbraw/zinc/64/62/64/1429646264.db2.gz QMKFVJOKDKVQQI-HIFRSBDPSA-N -1 3 388.420 3.476 20 30 GGEDHM N#C[C@H]1CC[C@@H](OC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000179928512 1429646366 /nfs/dbraw/zinc/64/63/66/1429646366.db2.gz QMKFVJOKDKVQQI-DZGCQCFKSA-N -1 3 388.420 3.476 20 30 GGEDHM N#CC(=C([O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000156653857 1423841748 /nfs/dbraw/zinc/84/17/48/1423841748.db2.gz SIBYWMIPTVYZMR-CYBMUJFWSA-N -1 3 393.325 3.422 20 30 GGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Cl)cc(Br)c1 ZINC000156657078 1423842540 /nfs/dbraw/zinc/84/25/40/1423842540.db2.gz JOYFFPLRVBFUEP-LBPRGKRZSA-N -1 3 378.613 3.459 20 30 GGEDHM CCO[C@@H]1C[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000156748709 1423858761 /nfs/dbraw/zinc/85/87/61/1423858761.db2.gz HZVGRGORSJKJHU-VQTJNVASSA-N -1 3 399.535 3.382 20 30 GGEDHM COc1cc(C#N)ccc1OCCO[N-]C(=O)Cc1cccc2ccccc21 ZINC000156987263 1423897911 /nfs/dbraw/zinc/89/79/11/1423897911.db2.gz DIFCRKCTPHUUSI-UHFFFAOYSA-N -1 3 376.412 3.389 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c2cccc3Cl)ccc1F ZINC000157567044 1424039921 /nfs/dbraw/zinc/03/99/21/1424039921.db2.gz NQVCNVKXFPINDA-UHFFFAOYSA-N -1 3 394.855 3.146 20 30 GGEDHM N#Cc1cc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)ccc1F ZINC000157985259 1424134467 /nfs/dbraw/zinc/13/44/67/1424134467.db2.gz GZRFMTRZCDKXBR-UHFFFAOYSA-N -1 3 377.404 3.412 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000158635557 1424306239 /nfs/dbraw/zinc/30/62/39/1424306239.db2.gz XKWHAOOUUVTPMN-UHFFFAOYSA-N -1 3 395.850 3.274 20 30 GGEDHM CC(C)CCn1cc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)nn1 ZINC000158726396 1424328577 /nfs/dbraw/zinc/32/85/77/1424328577.db2.gz LNUWSVWJCWFYGI-KRWDZBQOSA-N -1 3 375.432 3.439 20 30 GGEDHM CC(C)CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1 ZINC000158744569 1424332591 /nfs/dbraw/zinc/33/25/91/1424332591.db2.gz MHTGKZXPBSYOSG-LBPRGKRZSA-N -1 3 377.807 3.078 20 30 GGEDHM Cc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000159616142 1424518273 /nfs/dbraw/zinc/51/82/73/1424518273.db2.gz SHXSBGGKKLJGBA-UHFFFAOYSA-N -1 3 398.419 3.387 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1ccccn1)C(F)(F)F ZINC000159959638 1424557316 /nfs/dbraw/zinc/55/73/16/1424557316.db2.gz LKTCULGYXVMBGA-INIZCTEOSA-N -1 3 379.338 3.038 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000161236964 1424668513 /nfs/dbraw/zinc/66/85/13/1424668513.db2.gz UKGNHWIUIKIZRF-HNNXBMFYSA-N -1 3 399.878 3.129 20 30 GGEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nn1-c1cccc(F)c1 ZINC000180127193 1429749166 /nfs/dbraw/zinc/74/91/66/1429749166.db2.gz XVHRAXZOZFJWTI-UHFFFAOYSA-N -1 3 393.422 3.068 20 30 GGEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(N(C)C)cc2F)C1=O ZINC000161673998 1424737819 /nfs/dbraw/zinc/73/78/19/1424737819.db2.gz NOCYRRCCJSTABC-FQEVSTJZSA-N -1 3 392.475 3.208 20 30 GGEDHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000736197879 1425102434 /nfs/dbraw/zinc/10/24/34/1425102434.db2.gz CPDHVZYNCQZTRA-DLBZAZTESA-N -1 3 387.491 3.178 20 30 GGEDHM COc1cc(C#N)ccc1CN(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826176833 1425116453 /nfs/dbraw/zinc/11/64/53/1425116453.db2.gz GOADTIJHMAKAMF-UHFFFAOYSA-N -1 3 376.464 3.405 20 30 GGEDHM COc1cc(C#N)ccc1CN(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826176833 1425116457 /nfs/dbraw/zinc/11/64/57/1425116457.db2.gz GOADTIJHMAKAMF-UHFFFAOYSA-N -1 3 376.464 3.405 20 30 GGEDHM Cc1cc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1Br ZINC000167277506 1425223893 /nfs/dbraw/zinc/22/38/93/1425223893.db2.gz LEZGCMPMCTZHOX-UHFFFAOYSA-N -1 3 389.249 3.473 20 30 GGEDHM O=S(=O)(N1CCC(C/N=C/c2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000171931755 1425855450 /nfs/dbraw/zinc/85/54/50/1425855450.db2.gz UVMXYGCRFSPKKG-DJKKODMXSA-N -1 3 384.807 3.026 20 30 GGEDHM N#CCCCOc1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000172886967 1426240107 /nfs/dbraw/zinc/24/01/07/1426240107.db2.gz KUXWWOQVVMFXGT-UHFFFAOYSA-N -1 3 378.425 3.329 20 30 GGEDHM Cc1ccccc1-c1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n(C)n1 ZINC000173545221 1426719712 /nfs/dbraw/zinc/71/97/12/1426719712.db2.gz CHDCXAOZZFUNDH-UHFFFAOYSA-N -1 3 389.459 3.144 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)ccc1F ZINC000174004179 1426937627 /nfs/dbraw/zinc/93/76/27/1426937627.db2.gz LKQBBIGCMPCDGL-KUHUBIRLSA-N -1 3 388.464 3.123 20 30 GGEDHM Cc1ccccc1[C@@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@@H](C)CO1 ZINC000174418842 1427149273 /nfs/dbraw/zinc/14/92/73/1427149273.db2.gz KWSJGGVRTHWQKZ-BTYIYWSLSA-N -1 3 393.487 3.093 20 30 GGEDHM Cc1ccccc1[C@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@@H](C)CO1 ZINC000174418858 1427149520 /nfs/dbraw/zinc/14/95/20/1427149520.db2.gz KWSJGGVRTHWQKZ-YCRPNKLZSA-N -1 3 393.487 3.093 20 30 GGEDHM C[C@H]1CC(NC(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)=NO1 ZINC000824892501 1427166400 /nfs/dbraw/zinc/16/64/00/1427166400.db2.gz JJLVJURGEDQBTI-LBPRGKRZSA-N -1 3 394.460 3.011 20 30 GGEDHM CCO[C@@H]1C[C@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000174593195 1427246106 /nfs/dbraw/zinc/24/61/06/1427246106.db2.gz NBSZNEOATZFIKE-MOPGFXCFSA-N -1 3 386.492 3.467 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCN1CCCc2ccccc21 ZINC000174698902 1427316792 /nfs/dbraw/zinc/31/67/92/1427316792.db2.gz VNVFFIFQMIRUFZ-UHFFFAOYSA-N -1 3 393.487 3.182 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000174818860 1427385794 /nfs/dbraw/zinc/38/57/94/1427385794.db2.gz TUZCKJLWPQUUTB-UHFFFAOYSA-N -1 3 395.850 3.274 20 30 GGEDHM COc1ccccc1C[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)C ZINC000175033068 1427510078 /nfs/dbraw/zinc/51/00/78/1427510078.db2.gz SKEPKZHVQLKQNF-HXUWFJFHSA-N -1 3 395.503 3.188 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC2CC2)c2ccccc2)ccc1F ZINC000175388601 1427725578 /nfs/dbraw/zinc/72/55/78/1427725578.db2.gz NUTSUBGGEZWLBH-UHFFFAOYSA-N -1 3 388.464 3.347 20 30 GGEDHM C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824555595 1427979817 /nfs/dbraw/zinc/97/98/17/1427979817.db2.gz XYWPTYZJLZSHFF-ZDUSSCGKSA-N -1 3 387.365 3.468 20 30 GGEDHM C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824555595 1427979820 /nfs/dbraw/zinc/97/98/20/1427979820.db2.gz XYWPTYZJLZSHFF-ZDUSSCGKSA-N -1 3 387.365 3.468 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000176181313 1428145622 /nfs/dbraw/zinc/14/56/22/1428145622.db2.gz SUZMFGGJHUEVTK-QKVFXAPYSA-N -1 3 381.451 3.375 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819745643 1429869235 /nfs/dbraw/zinc/86/92/35/1429869235.db2.gz NJYZRJWQZXFCFG-HUUCEWRRSA-N -1 3 396.520 3.182 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819745643 1429869242 /nfs/dbraw/zinc/86/92/42/1429869242.db2.gz NJYZRJWQZXFCFG-HUUCEWRRSA-N -1 3 396.520 3.182 20 30 GGEDHM N#Cc1cccc(OCCCN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826386976 1430130417 /nfs/dbraw/zinc/13/04/17/1430130417.db2.gz ANUDWRPMRLYTHG-UHFFFAOYSA-N -1 3 386.459 3.297 20 30 GGEDHM N#Cc1cccc(OCCCN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826386976 1430130422 /nfs/dbraw/zinc/13/04/22/1430130422.db2.gz ANUDWRPMRLYTHG-UHFFFAOYSA-N -1 3 386.459 3.297 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000182437164 1430467805 /nfs/dbraw/zinc/46/78/05/1430467805.db2.gz GZOXWLZXUQFAHO-AZUAARDMSA-N -1 3 399.878 3.096 20 30 GGEDHM CCn1c2ccc(C)cc2nc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000182478902 1430474627 /nfs/dbraw/zinc/47/46/27/1430474627.db2.gz NMPVLDKCPAPHPM-UHFFFAOYSA-N -1 3 377.448 3.113 20 30 GGEDHM Cc1cc(-n2cccn2)ccc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000182568621 1430494589 /nfs/dbraw/zinc/49/45/89/1430494589.db2.gz JWUXFMSYOUQOEN-UHFFFAOYSA-N -1 3 390.443 3.034 20 30 GGEDHM C=C(C)CN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000183058611 1430601949 /nfs/dbraw/zinc/60/19/49/1430601949.db2.gz LKYWLRLHHKBTKI-UHFFFAOYSA-N -1 3 388.489 3.453 20 30 GGEDHM COc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1OC(C)C ZINC000183908763 1430811954 /nfs/dbraw/zinc/81/19/54/1430811954.db2.gz PXGFYYULPBYRDD-UHFFFAOYSA-N -1 3 383.448 3.231 20 30 GGEDHM N#CC1(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCC1 ZINC000183921650 1430813728 /nfs/dbraw/zinc/81/37/28/1430813728.db2.gz YYUJPNDVTSEBQR-UHFFFAOYSA-N -1 3 388.420 3.477 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]1(C)Cc1ccccc1 ZINC000184020436 1430830121 /nfs/dbraw/zinc/83/01/21/1430830121.db2.gz QUEVQOILEJELIF-HSZRJFAPSA-N -1 3 377.488 3.420 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184939379 1431027047 /nfs/dbraw/zinc/02/70/47/1431027047.db2.gz XUYYRCPNCWGXJU-CQSZACIVSA-N -1 3 385.414 3.090 20 30 GGEDHM CCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c2ncccc12 ZINC000185474554 1431153283 /nfs/dbraw/zinc/15/32/83/1431153283.db2.gz NHYLXGOAEDTJND-UHFFFAOYSA-N -1 3 390.443 3.382 20 30 GGEDHM C=C(C)[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccc(F)c(F)c1 ZINC000186031962 1431314800 /nfs/dbraw/zinc/31/48/00/1431314800.db2.gz CHCMPLUFQZUWSM-QGZVFWFLSA-N -1 3 398.406 3.059 20 30 GGEDHM C=CCC[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000186410135 1431407725 /nfs/dbraw/zinc/40/77/25/1431407725.db2.gz LWOKMTJTARCXEI-IBGZPJMESA-N -1 3 378.472 3.427 20 30 GGEDHM COc1cc(C#N)ccc1OCCS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000186846285 1431537243 /nfs/dbraw/zinc/53/72/43/1431537243.db2.gz QAVDSAMDYULCLV-UHFFFAOYSA-N -1 3 397.456 3.118 20 30 GGEDHM COc1cc(C#N)ccc1OCCS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000186846285 1431537248 /nfs/dbraw/zinc/53/72/48/1431537248.db2.gz QAVDSAMDYULCLV-UHFFFAOYSA-N -1 3 397.456 3.118 20 30 GGEDHM Cc1ccc(SC[C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000187576105 1431771234 /nfs/dbraw/zinc/77/12/34/1431771234.db2.gz MJMMRUCLAHBSNO-CQSZACIVSA-N -1 3 383.517 3.401 20 30 GGEDHM N#Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1[O-] ZINC000188952752 1432015703 /nfs/dbraw/zinc/01/57/03/1432015703.db2.gz MVWIWDMSSRVRIF-LJQANCHMSA-N -1 3 387.443 3.160 20 30 GGEDHM C=CCCN(OCc1ccccc1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000189893643 1432265619 /nfs/dbraw/zinc/26/56/19/1432265619.db2.gz CVATYXUMIWBNFC-UHFFFAOYSA-N -1 3 379.460 3.333 20 30 GGEDHM CCCOc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000190086717 1432317587 /nfs/dbraw/zinc/31/75/87/1432317587.db2.gz UHEUKKDJPQPQKN-UHFFFAOYSA-N -1 3 381.476 3.210 20 30 GGEDHM COCCOCc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1F ZINC000190975330 1432541600 /nfs/dbraw/zinc/54/16/00/1432541600.db2.gz HTYHDNZCBDOICS-MRXNPFEDSA-N -1 3 379.391 3.422 20 30 GGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2NCC)ccc1F ZINC000191357285 1432640447 /nfs/dbraw/zinc/64/04/47/1432640447.db2.gz HDLDAYXSPLGIFN-UHFFFAOYSA-N -1 3 391.468 3.283 20 30 GGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cncc(Br)c1 ZINC000193391528 1432989856 /nfs/dbraw/zinc/98/98/56/1432989856.db2.gz UUOPVAIRVPOECZ-CYBMUJFWSA-N -1 3 378.613 3.459 20 30 GGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000193443486 1433000061 /nfs/dbraw/zinc/00/00/61/1433000061.db2.gz DWDDYQSYWZJEJU-ZDUSSCGKSA-N -1 3 399.332 3.247 20 30 GGEDHM CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccc([N+](=O)[O-])c1 ZINC000194123454 1433121750 /nfs/dbraw/zinc/12/17/50/1433121750.db2.gz DNEVPBZQIOYDFL-UHFFFAOYSA-N -1 3 382.420 3.147 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(Br)cs2)cc1 ZINC000194589626 1433202377 /nfs/dbraw/zinc/20/23/77/1433202377.db2.gz WIBCNUZTTYBKTI-LBPRGKRZSA-N -1 3 379.235 3.480 20 30 GGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(Br)cs2)cc1 ZINC000194589639 1433202466 /nfs/dbraw/zinc/20/24/66/1433202466.db2.gz WIBCNUZTTYBKTI-GFCCVEGCSA-N -1 3 379.235 3.480 20 30 GGEDHM C[C@H]1CCCCN1S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000249733977 1433850230 /nfs/dbraw/zinc/85/02/30/1433850230.db2.gz VDGLWIJOMPKQQV-MAUKXSAKSA-N -1 3 383.473 3.135 20 30 GGEDHM COc1cc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC2CC2)ccc1O ZINC000254479259 1433871239 /nfs/dbraw/zinc/87/12/39/1433871239.db2.gz CESNDGDYVVCVLV-UHFFFAOYSA-N -1 3 397.456 3.287 20 30 GGEDHM CN(C)S(=O)(=O)c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255034762 1433874626 /nfs/dbraw/zinc/87/46/26/1433874626.db2.gz VRAXFPZIZMBEDD-UHFFFAOYSA-N -1 3 383.267 3.156 20 30 GGEDHM CCOc1ccc(S(=O)(=O)N(C)C)cc1N=Cc1cc(Cl)ccc1[O-] ZINC000255116281 1433876716 /nfs/dbraw/zinc/87/67/16/1433876716.db2.gz AWDZQZUMHUHYOF-UHFFFAOYSA-N -1 3 382.869 3.445 20 30 GGEDHM CCc1ccc(N=Cc2cc(Br)ccc2[O-])cc1S(N)(=O)=O ZINC000255289698 1433879233 /nfs/dbraw/zinc/87/92/33/1433879233.db2.gz KUCKYFGULQFJLY-UHFFFAOYSA-N -1 3 383.267 3.115 20 30 GGEDHM [O-]c1ccc(Br)cc1/C=N\C[C@H](O)COc1ccc(F)c(F)c1 ZINC000255361462 1433881191 /nfs/dbraw/zinc/88/11/91/1433881191.db2.gz FPRIEVOKUFPCPF-QPSQBJGBSA-N -1 3 386.192 3.292 20 30 GGEDHM CS(=O)(=O)CCOc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255361641 1433881222 /nfs/dbraw/zinc/88/12/22/1433881222.db2.gz SRZQYXSMXOKUQL-UHFFFAOYSA-N -1 3 398.278 3.329 20 30 GGEDHM CCOc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc(Cl)c1[O-] ZINC000255780097 1433889613 /nfs/dbraw/zinc/88/96/13/1433889613.db2.gz ZNSNKCZFZKHCGN-KPKJPENVSA-N -1 3 378.833 3.498 20 30 GGEDHM COc1cc(OC)cc([C@H](O)C/N=C\c2cc(Br)ccc2[O-])c1 ZINC000255840380 1433890073 /nfs/dbraw/zinc/89/00/73/1433890073.db2.gz CRMRATCXYLUIBQ-CNQPKBAFSA-N -1 3 380.238 3.324 20 30 GGEDHM O=C(c1cccc(N=Cc2cc(Br)ccc2[O-])c1)N1CCOCC1 ZINC000255869300 1433890702 /nfs/dbraw/zinc/89/07/02/1433890702.db2.gz XOXYLRWQWIKVRE-UHFFFAOYSA-N -1 3 389.249 3.378 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261645025 1433898189 /nfs/dbraw/zinc/89/81/89/1433898189.db2.gz DTXASTXDCLDWDF-LJQANCHMSA-N -1 3 398.894 3.035 20 30 GGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3(C#N)CCOCC3)cc2)cc1 ZINC000264516682 1434122858 /nfs/dbraw/zinc/12/28/58/1434122858.db2.gz CBTOZXVJDMBITC-UHFFFAOYSA-N -1 3 399.472 3.055 20 30 GGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000264572368 1434129728 /nfs/dbraw/zinc/12/97/28/1434129728.db2.gz VHWTZZFFTTXNNB-CQSZACIVSA-N -1 3 398.488 3.195 20 30 GGEDHM Cc1ncc(CO)c(/C=N/c2cccc(CN(C)Cc3cscn3)c2)c1[O-] ZINC000264612262 1434134529 /nfs/dbraw/zinc/13/45/29/1434134529.db2.gz FXZYZKZKGXWNKZ-GZIVZEMBSA-N -1 3 382.489 3.427 20 30 GGEDHM Cc1ncc(CO)c(/C=N/c2cccc(CS(=O)(=O)C(C)(C)C)c2)c1[O-] ZINC000264862050 1434160351 /nfs/dbraw/zinc/16/03/51/1434160351.db2.gz SDZMVJGELBLXQR-UFFVCSGVSA-N -1 3 376.478 3.052 20 30 GGEDHM COC(=O)N(C)Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000265317533 1434217490 /nfs/dbraw/zinc/21/74/90/1434217490.db2.gz UQPOIWQFXWTFMQ-UHFFFAOYSA-N -1 3 396.447 3.045 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc2ccccc2n1C(C)C ZINC000265430044 1434233730 /nfs/dbraw/zinc/23/37/30/1434233730.db2.gz UZUFQKKHVCUBJY-UHFFFAOYSA-N -1 3 391.475 3.455 20 30 GGEDHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3(C#N)CCC3)ccc2C)cc1 ZINC000265469410 1434237106 /nfs/dbraw/zinc/23/71/06/1434237106.db2.gz WTIBRFBLCKMWKB-UHFFFAOYSA-N -1 3 399.472 3.437 20 30 GGEDHM CCO[C@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCCC2 ZINC000266081205 1434302102 /nfs/dbraw/zinc/30/21/02/1434302102.db2.gz KXXHGIXDGWDPGQ-MOPGFXCFSA-N -1 3 385.508 3.452 20 30 GGEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(CCC#N)CCC(C)C)cc1OC ZINC000267442742 1434433673 /nfs/dbraw/zinc/43/36/73/1434433673.db2.gz XFCFAAYJIKUIAF-UHFFFAOYSA-N -1 3 396.513 3.250 20 30 GGEDHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269594894 1434662258 /nfs/dbraw/zinc/66/22/58/1434662258.db2.gz DLWMNBPZAPAABU-UHFFFAOYSA-N -1 3 399.454 3.162 20 30 GGEDHM C=C(C)[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)OCC ZINC000270061673 1434698034 /nfs/dbraw/zinc/69/80/34/1434698034.db2.gz PESVDGXICBWPRY-AWEZNQCLSA-N -1 3 394.415 3.387 20 30 GGEDHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3ccc(C#N)cc3)nc(=O)c2c1C ZINC000271676444 1434843623 /nfs/dbraw/zinc/84/36/23/1434843623.db2.gz OSJLQIQPBROKKH-NSHDSACASA-N -1 3 382.445 3.214 20 30 GGEDHM C#CC[C@@H](NCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1ccccc1 ZINC000271755814 1434848210 /nfs/dbraw/zinc/84/82/10/1434848210.db2.gz YRNNFOYNQPPUJX-CQSZACIVSA-N -1 3 381.457 3.346 20 30 GGEDHM COC(=O)Nc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000272224113 1434879230 /nfs/dbraw/zinc/87/92/30/1434879230.db2.gz FDGLXICZNBNPNK-UHFFFAOYSA-N -1 3 383.404 3.130 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](COc2ccccc2)C1 ZINC000272596539 1434912708 /nfs/dbraw/zinc/91/27/08/1434912708.db2.gz RRRUUNKZLDBGEN-KRWDZBQOSA-N -1 3 379.460 3.136 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)CN(C(C)C)CC2 ZINC000273063010 1434956644 /nfs/dbraw/zinc/95/66/44/1434956644.db2.gz TZQYFJQEENHGOS-UHFFFAOYSA-N -1 3 399.520 3.070 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cc(OC3CCC3)ccn2)no1 ZINC000273755767 1435011225 /nfs/dbraw/zinc/01/12/25/1435011225.db2.gz CSNILZSFZZECIM-UHFFFAOYSA-N -1 3 391.431 3.437 20 30 GGEDHM Cc1cc(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)ccc1[N+](=O)[O-] ZINC000273971811 1435033355 /nfs/dbraw/zinc/03/33/55/1435033355.db2.gz OSABAEIRATYTHF-UHFFFAOYSA-N -1 3 393.403 3.251 20 30 GGEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC(C)(C#N)CC3)cs2)c1 ZINC000274041905 1435039275 /nfs/dbraw/zinc/03/92/75/1435039275.db2.gz RHPYNZBKICOLNR-UHFFFAOYSA-N -1 3 398.488 3.104 20 30 GGEDHM COC(CCCC(C)(C)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)OC ZINC000274674037 1435084675 /nfs/dbraw/zinc/08/46/75/1435084675.db2.gz IEPLBOMNCLBGKK-UHFFFAOYSA-N -1 3 391.512 3.140 20 30 GGEDHM COC(=O)c1cnc(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)[n-]1 ZINC000274902490 1435102539 /nfs/dbraw/zinc/10/25/39/1435102539.db2.gz IJMHTSKOIYRHIS-UHFFFAOYSA-N -1 3 392.868 3.197 20 30 GGEDHM CCOc1cc(N2CCOC(C)(C)C2)ccc1/N=C/c1c([O-])c(C)ncc1CO ZINC000275458395 1435140555 /nfs/dbraw/zinc/14/05/55/1435140555.db2.gz JTAIYLGITICGIW-WYMPLXKRSA-N -1 3 399.491 3.352 20 30 GGEDHM CCCCc1nc(NC(=O)Cc2ccc(OCC#N)cc2)c(C(=O)OCC)[n-]1 ZINC000276713705 1435227229 /nfs/dbraw/zinc/22/72/29/1435227229.db2.gz AKRKQWLWUIRIFP-UHFFFAOYSA-N -1 3 384.436 3.013 20 30 GGEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 ZINC000277644880 1435318681 /nfs/dbraw/zinc/31/86/81/1435318681.db2.gz YICWBZZQBSSGNT-QGZVFWFLSA-N -1 3 382.420 3.095 20 30 GGEDHM C=C[C@@H](CC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)c1ccccc1 ZINC000277867728 1435337508 /nfs/dbraw/zinc/33/75/08/1435337508.db2.gz YLBRCHUIFVCSBH-HNNXBMFYSA-N -1 3 382.464 3.047 20 30 GGEDHM C=C[C@@H](CC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)c1ccccc1 ZINC000277867728 1435337510 /nfs/dbraw/zinc/33/75/10/1435337510.db2.gz YLBRCHUIFVCSBH-HNNXBMFYSA-N -1 3 382.464 3.047 20 30 GGEDHM COc1cc(OC)cc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1 ZINC000278067083 1435355804 /nfs/dbraw/zinc/35/58/04/1435355804.db2.gz FGWISCMDRIGXRR-UHFFFAOYSA-N -1 3 380.404 3.128 20 30 GGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(NC(=O)N(C)C)c1C ZINC000279737632 1435536681 /nfs/dbraw/zinc/53/66/81/1435536681.db2.gz SVGWJYQBUIPUJD-UHFFFAOYSA-N -1 3 395.463 3.249 20 30 GGEDHM CCOc1ccc([C@@H]2C[C@H]2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000281071060 1435768207 /nfs/dbraw/zinc/76/82/07/1435768207.db2.gz ODJRBPDQTICODB-AZUAARDMSA-N -1 3 379.460 3.279 20 30 GGEDHM COC[C@@H](C)Nc1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000281243070 1435800462 /nfs/dbraw/zinc/80/04/62/1435800462.db2.gz FNIZCTAJJCYQEP-CYBMUJFWSA-N -1 3 382.464 3.294 20 30 GGEDHM COC(=O)Nc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000281851601 1435824215 /nfs/dbraw/zinc/82/42/15/1435824215.db2.gz RGONSUCSCJYNGD-UHFFFAOYSA-N -1 3 382.420 3.334 20 30 GGEDHM CCn1ccnc1[C@@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000281856043 1435824519 /nfs/dbraw/zinc/82/45/19/1435824519.db2.gz QKQKDGKUIKBCEE-SFHVURJKSA-N -1 3 381.480 3.179 20 30 GGEDHM Cc1nc(C)c(CCC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c(=O)[n-]1 ZINC000282095945 1435834377 /nfs/dbraw/zinc/83/43/77/1435834377.db2.gz MIERAIZCTDGXDJ-UHFFFAOYSA-N -1 3 380.326 3.141 20 30 GGEDHM COc1ccc(CN(C)Cc2cccc(-c3nn[n-]n3)c2)cc1OCCCC#N ZINC000826193110 1441639955 /nfs/dbraw/zinc/63/99/55/1441639955.db2.gz QFGWOKRZSPPUSO-UHFFFAOYSA-N -1 3 392.463 3.190 20 30 GGEDHM COc1ccc(CN(C)Cc2cccc(-c3nnn[n-]3)c2)cc1OCCCC#N ZINC000826193110 1441639958 /nfs/dbraw/zinc/63/99/58/1441639958.db2.gz QFGWOKRZSPPUSO-UHFFFAOYSA-N -1 3 392.463 3.190 20 30 GGEDHM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@@H](C)N(Cc3ccccc3)C2)o1 ZINC000820196820 1441679288 /nfs/dbraw/zinc/67/92/88/1441679288.db2.gz DGFSQPPBIYHVET-CYBMUJFWSA-N -1 3 380.456 3.040 20 30 GGEDHM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2C[C@@H](C)N(Cc3ccccc3)C2)o1 ZINC000820196820 1441679290 /nfs/dbraw/zinc/67/92/90/1441679290.db2.gz DGFSQPPBIYHVET-CYBMUJFWSA-N -1 3 380.456 3.040 20 30 GGEDHM C=C1CCN(CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)CC1 ZINC000735403377 1443926838 /nfs/dbraw/zinc/92/68/38/1443926838.db2.gz VEDDMZIFEJQULU-ZDUSSCGKSA-N -1 3 386.525 3.034 20 30 GGEDHM C=C1CCN(CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)CC1 ZINC000735403377 1443926840 /nfs/dbraw/zinc/92/68/40/1443926840.db2.gz VEDDMZIFEJQULU-ZDUSSCGKSA-N -1 3 386.525 3.034 20 30 GGEDHM C=C(C)COc1cc(CN(C)Cc2cccc(-c3nn[n-]n3)c2)ccc1OC ZINC000823877875 1449075054 /nfs/dbraw/zinc/07/50/54/1449075054.db2.gz JKESTXNZIJOHLG-UHFFFAOYSA-N -1 3 379.464 3.462 20 30 GGEDHM C=C(C)COc1cc(CN(C)Cc2cccc(-c3nnn[n-]3)c2)ccc1OC ZINC000823877875 1449075059 /nfs/dbraw/zinc/07/50/59/1449075059.db2.gz JKESTXNZIJOHLG-UHFFFAOYSA-N -1 3 379.464 3.462 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735425673 1449414001 /nfs/dbraw/zinc/41/40/01/1449414001.db2.gz DKRDLJXHKPRABO-HUUCEWRRSA-N -1 3 396.520 3.182 20 30 GGEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735425673 1449414003 /nfs/dbraw/zinc/41/40/03/1449414003.db2.gz DKRDLJXHKPRABO-HUUCEWRRSA-N -1 3 396.520 3.182 20 30 GGEDHM COc1ccc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1OCCCC#N ZINC000826193044 1450338754 /nfs/dbraw/zinc/33/87/54/1450338754.db2.gz NPGNHKBSNIYSKM-UHFFFAOYSA-N -1 3 392.463 3.190 20 30 GGEDHM COc1ccc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1OCCCC#N ZINC000826193044 1450338760 /nfs/dbraw/zinc/33/87/60/1450338760.db2.gz NPGNHKBSNIYSKM-UHFFFAOYSA-N -1 3 392.463 3.190 20 30 GGEDHM