smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000066088147 523961916 /nfs/dbraw/zinc/96/19/16/523961916.db2.gz HNGKGWBBXQVTMR-DEOSSOPVSA-N -1 3 443.499 5.049 40 30 IKEBHM CCc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000066088147 523961921 /nfs/dbraw/zinc/96/19/21/523961921.db2.gz HNGKGWBBXQVTMR-DEOSSOPVSA-N -1 3 443.499 5.049 40 30 IKEBHM Cc1ccc(-c2nc3ccccc3s2)cc1/N=C/c1cc(Cc2ccccc2)ccc1[O-] ZINC000016311762 525825615 /nfs/dbraw/zinc/82/56/15/525825615.db2.gz ZNZUAZAAFRZZOD-RDRPBHBLSA-N -1 3 434.564 7.319 40 30 IKEBHM CC1=CC(NNc2ccccc2)=C(C([O-])(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1 ZINC000005065305 556031066 /nfs/dbraw/zinc/03/10/66/556031066.db2.gz PCAIZXFSAQUOMS-WOLHVBPDSA-N -1 3 427.269 5.841 40 30 IKEBHM C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2[O-])S/C1=N\c1ccccc1 ZINC000408864603 556457800 /nfs/dbraw/zinc/45/78/00/556457800.db2.gz XHPVTLQLVTWJSR-SZLYMPMWSA-N -1 3 426.969 6.228 40 30 IKEBHM Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3[O-])C(=O)N2CCc2ccccc2)cc1 ZINC000408910790 556495384 /nfs/dbraw/zinc/49/53/84/556495384.db2.gz HYQGLPKTOUFJBR-YWQSIKCOSA-N -1 3 448.975 6.201 40 30 IKEBHM CCOc1cc(Cl)cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1[O-] ZINC000032114458 556530942 /nfs/dbraw/zinc/53/09/42/556530942.db2.gz WKDLTXHZNRBGLW-MZJWZYIUSA-N -1 3 448.906 6.502 40 30 IKEBHM CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(OC)c2[O-])cc1OC ZINC000032115087 556531481 /nfs/dbraw/zinc/53/14/81/556531481.db2.gz PKOXVAMRFBPMDM-WSDLNYQXSA-N -1 3 435.318 5.051 40 30 IKEBHM COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc(F)cc3F)o2)ccc1[O-] ZINC000016196048 556590458 /nfs/dbraw/zinc/59/04/58/556590458.db2.gz ZIMVYWSLUPXFAQ-CCVNUDIWSA-N -1 3 445.425 6.004 40 30 IKEBHM COc1ccc(Br)c(/C=N\c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1[O-] ZINC000016348673 556602093 /nfs/dbraw/zinc/60/20/93/556602093.db2.gz BJONPJXGOYZKPA-MSXFZWOLSA-N -1 3 437.293 6.031 40 30 IKEBHM C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000224564472 556636377 /nfs/dbraw/zinc/63/63/77/556636377.db2.gz RAINAGUETWQXEC-UHFFFAOYSA-N -1 3 442.537 5.157 40 30 IKEBHM CC1=CC(NNc2ccccc2)=C(C([O-])(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1 ZINC000017002754 556652632 /nfs/dbraw/zinc/65/26/32/556652632.db2.gz PCAIZXFSAQUOMS-ASBHVJNYSA-N -1 3 427.269 5.841 40 30 IKEBHM COc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1[O-] ZINC000409084947 556790719 /nfs/dbraw/zinc/79/07/19/556790719.db2.gz YNMTVEOYESMOAX-DDFZXGMKSA-N -1 3 447.398 5.998 40 30 IKEBHM C/C(=N\[N-]c1nc(-c2cc(C)ccc2C)cs1)c1cc2c(ccc3ccccc32)oc1=O ZINC000008690239 556842641 /nfs/dbraw/zinc/84/26/41/556842641.db2.gz PMHRVSSRXJGKHI-OGLMXYFKSA-N -1 3 439.540 6.523 40 30 IKEBHM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc(Br)c1[O-] ZINC000408906132 556884409 /nfs/dbraw/zinc/88/44/09/556884409.db2.gz HMOWOYQVTIHORU-SLHJDRLVSA-N -1 3 447.354 5.096 40 30 IKEBHM CCOc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc(Cl)c1[O-] ZINC000408910086 556887574 /nfs/dbraw/zinc/88/75/74/556887574.db2.gz WCVWOVPCYKITIM-PUCVJYRNSA-N -1 3 430.957 5.685 40 30 IKEBHM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)ccc3[O-])C(=O)N2CC(C)C)cc1 ZINC000408911558 556888148 /nfs/dbraw/zinc/88/81/48/556888148.db2.gz KCCGPQYBHRHEPL-ZHUAHHRVSA-N -1 3 445.382 5.723 40 30 IKEBHM Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3c([O-])ccc4ccccc34)cc1)N2 ZINC000408936447 556895615 /nfs/dbraw/zinc/89/56/15/556895615.db2.gz GLSSUTWJJAVVCN-AUWRRVOLSA-N -1 3 430.551 7.431 40 30 IKEBHM Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3c([O-])ccc4ccccc34)cc1)N2 ZINC000408936448 556895766 /nfs/dbraw/zinc/89/57/66/556895766.db2.gz GLSSUTWJJAVVCN-GAKUDXKKSA-N -1 3 430.551 7.431 40 30 IKEBHM O=C(Nc1ccccc1)c1c(/N=C/c2cc(Cl)ccc2[O-])sc2c1CCCCCC2 ZINC000408972154 556903011 /nfs/dbraw/zinc/90/30/11/556903011.db2.gz SYQYWXICAVABEW-CVKSISIWSA-N -1 3 438.980 6.769 40 30 IKEBHM COc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(OC)c1[O-] ZINC000408987634 556910280 /nfs/dbraw/zinc/91/02/80/556910280.db2.gz QSARCTIBXDJVIL-AFUMVMLFSA-N -1 3 442.581 5.163 40 30 IKEBHM CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc([O-])cc2)nnc1-c1ccccc1 ZINC000409192690 556992502 /nfs/dbraw/zinc/99/25/02/556992502.db2.gz FGDVQHQSGVKFNM-BUVRLJJBSA-N -1 3 445.504 5.481 40 30 IKEBHM CCOC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1/N=C/c1ccccc1[O-] ZINC000100209622 557111586 /nfs/dbraw/zinc/11/15/86/557111586.db2.gz XHEDIQRJRMJXAJ-MZJWZYIUSA-N -1 3 429.394 6.131 40 30 IKEBHM CCOc1cc(Br)c(Br)c(/C=N/c2ccc3ccccc3c2)c1[O-] ZINC000003139709 557115799 /nfs/dbraw/zinc/11/57/99/557115799.db2.gz ATEICDDRJGMKSE-SSDVNMTOSA-N -1 3 449.142 6.220 40 30 IKEBHM CN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000408719371 557133277 /nfs/dbraw/zinc/13/32/77/557133277.db2.gz CZBVKXZOXSTPKW-ZVHZXABRSA-N -1 3 435.325 5.286 40 30 IKEBHM O=S(=O)(c1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1)N1CCc2ccccc2C1 ZINC000408730957 557139287 /nfs/dbraw/zinc/13/92/87/557139287.db2.gz XBCAVPVBPXUNAO-WPWMEQJKSA-N -1 3 442.540 5.043 40 30 IKEBHM CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c([O-])c1 ZINC000100221836 557248975 /nfs/dbraw/zinc/24/89/75/557248975.db2.gz UOPLVZLFMIOCSJ-PKAZHMFMSA-N -1 3 447.604 6.182 40 30 IKEBHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@@H]2c1ccccc1 ZINC000100421499 557260442 /nfs/dbraw/zinc/26/04/42/557260442.db2.gz FQNBGXGKYSKSJR-RDPSFJRHSA-N -1 3 433.511 5.536 40 30 IKEBHM COc1cc(Br)c(Br)c(/C=N/c2cccc3ccccc32)c1[O-] ZINC000016194684 557470879 /nfs/dbraw/zinc/47/08/79/557470879.db2.gz SVEMOPDVUBKINV-UFFVCSGVSA-N -1 3 435.115 5.830 40 30 IKEBHM CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)ccc4[O-])cc3)nc2c1 ZINC000019648626 557506063 /nfs/dbraw/zinc/50/60/63/557506063.db2.gz ZEJJHWKGOBTBNJ-IXORVSQSSA-N -1 3 449.348 7.227 40 30 IKEBHM [O-]c1ccc(Br)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000003059619 557522998 /nfs/dbraw/zinc/52/29/98/557522998.db2.gz PHUXBDJBILBJKB-FOKLQQMPSA-N -1 3 427.685 6.367 40 30 IKEBHM COc1ccc2[nH]c(CN3CCCC[C@H]3c3csc([N-]c4cc(C#N)ccn4)n3)cc2c1 ZINC000585293917 568632549 /nfs/dbraw/zinc/63/25/49/568632549.db2.gz BTOSFIFJWBBMJN-QFIPXVFZSA-N -1 3 444.564 5.370 40 30 IKEBHM Cn1cc(CN2CCCC[C@@H]2c2csc([N-]c3cc(C#N)ccn3)n2)c2cc(F)ccc21 ZINC000585294406 568632586 /nfs/dbraw/zinc/63/25/86/568632586.db2.gz DZHXVAYLCUYSJD-JOCHJYFZSA-N -1 3 446.555 5.511 40 30 IKEBHM CC(C)Cc1ccc(CN2CCCC[C@H]2c2csc([N-]c3cc(C#N)ccn3)n2)s1 ZINC000585294048 568632687 /nfs/dbraw/zinc/63/26/87/568632687.db2.gz DITPBXTWNOTEAK-NRFANRHFSA-N -1 3 437.638 6.141 40 30 IKEBHM Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1c([O-])cc(C)c(Cl)c1C ZINC000003211238 568742951 /nfs/dbraw/zinc/74/29/51/568742951.db2.gz KQOVOCNLLSDGKG-KBKYJPHKSA-N -1 3 425.315 7.183 40 30 IKEBHM COc1ccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000027061687 568894930 /nfs/dbraw/zinc/89/49/30/568894930.db2.gz DKMODKNHXDWNDZ-FQEVSTJZSA-N -1 3 439.920 5.501 40 30 IKEBHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)sc2C1 ZINC000017097418 569172503 /nfs/dbraw/zinc/17/25/03/569172503.db2.gz QROSFKTVJKDZTL-NSHDSACASA-N -1 3 431.344 6.564 40 30 IKEBHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)sc2C1 ZINC000017097408 569172595 /nfs/dbraw/zinc/17/25/95/569172595.db2.gz UUKARDXUFASYQB-LLVKDONJSA-N -1 3 431.344 6.564 40 30 IKEBHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2C1 ZINC000017097406 569172713 /nfs/dbraw/zinc/17/27/13/569172713.db2.gz QRRZFVTZZTZSPU-LLVKDONJSA-N -1 3 431.344 6.564 40 30 IKEBHM N#Cc1c([N-]C(=S)NC(=O)c2cccc3c(Cl)cccc23)sc2c1CCCC2 ZINC000017094685 569173057 /nfs/dbraw/zinc/17/30/57/569173057.db2.gz BPHPQKVOMARHDV-UHFFFAOYSA-N -1 3 425.966 5.432 40 30 IKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(Cl)cc3)sc2C1 ZINC000017097782 569173266 /nfs/dbraw/zinc/17/32/66/569173266.db2.gz GDTAVYAIQHWFMK-CYBMUJFWSA-N -1 3 432.014 5.551 40 30 IKEBHM O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2ccccc2[O-])cc1 ZINC000019855668 569239701 /nfs/dbraw/zinc/23/97/01/569239701.db2.gz WKANMMLBJFUUSD-ZXVVBBHZSA-N -1 3 442.540 5.538 40 30 IKEBHM COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc(Cl)c1[O-] ZINC000018082528 569261612 /nfs/dbraw/zinc/26/16/12/569261612.db2.gz MCDOXFZYBWLJFT-GATIEOLUSA-N -1 3 444.940 5.268 40 30 IKEBHM CCOc1cc(/C=N/[O-])cc(I)c1OCc1cccc2ccccc21 ZINC000253566052 569273236 /nfs/dbraw/zinc/27/32/36/569273236.db2.gz IMKCZLOPBWOPQQ-WSDLNYQXSA-N -1 3 447.272 5.230 40 30 IKEBHM COc1c(C)cccc1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000008831587 569290889 /nfs/dbraw/zinc/29/08/89/569290889.db2.gz BNINFUDQKOGOSA-AWEZNQCLSA-N -1 3 441.622 5.215 40 30 IKEBHM CCOc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000008831563 569290974 /nfs/dbraw/zinc/29/09/74/569290974.db2.gz ZOWAQPIHYWVBRX-HNNXBMFYSA-N -1 3 441.622 5.296 40 30 IKEBHM C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc4c(Cl)cccc34)sc2C1 ZINC000019630970 569324081 /nfs/dbraw/zinc/32/40/81/569324081.db2.gz KHCIQSOSPRVACU-LBPRGKRZSA-N -1 3 439.993 5.678 40 30 IKEBHM CCOc1ccc(/N=C/c2c([O-])c(OC)cc(Br)c2Br)cc1 ZINC000003152667 569440968 /nfs/dbraw/zinc/44/09/68/569440968.db2.gz MVSUOYUDICFSPO-DJKKODMXSA-N -1 3 429.108 5.075 40 30 IKEBHM [O-]c1ccccc1/C=N/c1ccc2oc(-c3ccc(I)cc3)nc2c1 ZINC000003657077 569455811 /nfs/dbraw/zinc/45/58/11/569455811.db2.gz PYBSHQWIPXSCJZ-WSDLNYQXSA-N -1 3 440.240 5.556 40 30 IKEBHM CCOc1cc(/C=N/NC(=S)Nc2ccc(SC(F)F)cc2)cc(Cl)c1[O-] ZINC000013076208 520639513 /nfs/dbraw/zinc/63/95/13/520639513.db2.gz PCTDYRDEWUSBBX-ZVBGSRNCSA-N -1 3 431.917 5.080 40 30 IKEBHM CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1cc(Br)ccc1[O-] ZINC000001926054 555725144 /nfs/dbraw/zinc/72/51/44/555725144.db2.gz GURAWJZVZKRMFP-SSDVNMTOSA-N -1 3 430.323 5.811 40 30 IKEBHM O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)C1=C1C=Cc2ccc([O-])cc2N1 ZINC000004235738 555977963 /nfs/dbraw/zinc/97/79/63/555977963.db2.gz SHBUQNAROCIZOM-UHFFFAOYSA-N -1 3 427.070 5.778 40 30 IKEBHM Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3[O-])C(=O)N2C2CCCCC2)cc1 ZINC000408908957 556494367 /nfs/dbraw/zinc/49/43/67/556494367.db2.gz BDUSVKTUAOIMOG-LISDSOCTSA-N -1 3 426.969 6.291 40 30 IKEBHM CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc(Cl)c1[O-] ZINC000408913729 556499681 /nfs/dbraw/zinc/49/96/81/556499681.db2.gz RJVBHBQISOHMSJ-XFKFKZEQSA-N -1 3 430.957 5.631 40 30 IKEBHM CC[C@@H](C)N1C(=O)/C(=C\c2cc(Br)ccc2[O-])S/C1=N\c1ccc(C)cc1 ZINC000408915597 556500658 /nfs/dbraw/zinc/50/06/58/556500658.db2.gz YVFDDIPQSQAKAO-UESVEAJBSA-N -1 3 445.382 5.866 40 30 IKEBHM C/C(=N\N1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1[O-] ZINC000015276977 556514609 /nfs/dbraw/zinc/51/46/09/556514609.db2.gz PSLBUIMSVOPXPB-ZUICHYAESA-N -1 3 426.303 5.690 40 30 IKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000032111985 556530927 /nfs/dbraw/zinc/53/09/27/556530927.db2.gz OMKGMMANYWRPAT-UVHMKAGCSA-N -1 3 433.294 7.411 40 30 IKEBHM CCOc1ccc(Br)c(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1[O-] ZINC000016689338 556627313 /nfs/dbraw/zinc/62/73/13/556627313.db2.gz SRBMJRDAERVICJ-ZMOGYAJESA-N -1 3 437.293 6.112 40 30 IKEBHM [O-]c1ccc(Br)cc1/C=N\c1c(-c2ccc3ccccc3c2)nc2ccccn21 ZINC000101002583 556634617 /nfs/dbraw/zinc/63/46/17/556634617.db2.gz SZIVGTACOXHNSB-YSMPRRRNSA-N -1 3 442.316 6.373 40 30 IKEBHM C=C(C)COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000224564182 556636321 /nfs/dbraw/zinc/63/63/21/556636321.db2.gz DUVISBXWMIXWHO-UHFFFAOYSA-N -1 3 436.533 5.003 40 30 IKEBHM CC1=CC(NNc2ccccc2)=C(C([O-])(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1 ZINC000017002750 556652711 /nfs/dbraw/zinc/65/27/11/556652711.db2.gz PCAIZXFSAQUOMS-CWYRIDLXSA-N -1 3 427.269 5.841 40 30 IKEBHM COc1cc(/C=N/[O-])c(Br)c(Br)c1OCc1ccccc1Cl ZINC000013915450 556661728 /nfs/dbraw/zinc/66/17/28/556661728.db2.gz LNHSYMFUIDWPSJ-FBCYGCLPSA-N -1 3 449.526 5.261 40 30 IKEBHM O=C1N/C(=N\c2cccc3ccccc32)S/C1=C/c1cc(Br)ccc1[O-] ZINC000013914287 556662107 /nfs/dbraw/zinc/66/21/07/556662107.db2.gz OVRQBZRVUHDVND-WOJGMQOQSA-N -1 3 425.307 5.200 40 30 IKEBHM C=CCOc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cc1Br ZINC000408992280 556708900 /nfs/dbraw/zinc/70/89/00/556708900.db2.gz SSIXHFIETCCLKU-UHFFFAOYSA-N -1 3 431.355 5.660 40 30 IKEBHM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2[O-])C2=C1CC(C)(C)CC2=O ZINC000409031402 556729492 /nfs/dbraw/zinc/72/94/92/556729492.db2.gz AMBQBTWSUPSVMM-UHFFFAOYSA-N -1 3 441.999 6.141 40 30 IKEBHM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2[O-])C2=C1CC(C)(C)CC2=O ZINC000409045935 556755616 /nfs/dbraw/zinc/75/56/16/556755616.db2.gz QDCHIEXCZZMKNW-UHFFFAOYSA-N -1 3 427.972 5.751 40 30 IKEBHM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409078636 556782438 /nfs/dbraw/zinc/78/24/38/556782438.db2.gz HSDQQOJJGIAXQM-GEGDGZKASA-N -1 3 432.589 6.608 40 30 IKEBHM CCOc1cc(/C=N/[O-])cc(I)c1OCc1ccc2ccccc2c1 ZINC000409084875 556790198 /nfs/dbraw/zinc/79/01/98/556790198.db2.gz XUQMUWGAQZAIGR-WSDLNYQXSA-N -1 3 447.272 5.230 40 30 IKEBHM CCN1C(=O)/C(=C\c2cc(Br)ccc2[O-])S/C1=N\c1cc(C)ccc1C ZINC000408906708 556884673 /nfs/dbraw/zinc/88/46/73/556884673.db2.gz DHZQOBXJFZEYLH-AUCMGLCLSA-N -1 3 431.355 5.395 40 30 IKEBHM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc(Cl)c1[O-] ZINC000408913343 556889121 /nfs/dbraw/zinc/88/91/21/556889121.db2.gz QBMQCATWSRRKLV-RVFNTIOESA-N -1 3 430.957 5.765 40 30 IKEBHM Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3[O-])C(=O)N2Cc2ccccc2)cc1 ZINC000408914348 556889544 /nfs/dbraw/zinc/88/95/44/556889544.db2.gz UOXNZTLDKAWBLS-DDOPLPCHSA-N -1 3 434.948 6.158 40 30 IKEBHM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)ccc3[O-])C(=O)N2C(C)C)cc1 ZINC000408914456 556889647 /nfs/dbraw/zinc/88/96/47/556889647.db2.gz UVZQNRTYXHMDFI-AUCMGLCLSA-N -1 3 431.355 5.476 40 30 IKEBHM Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3c([O-])ccc4ccccc34)cc1)N2 ZINC000408936449 556895606 /nfs/dbraw/zinc/89/56/06/556895606.db2.gz GLSSUTWJJAVVCN-MZRNCTNESA-N -1 3 430.551 7.431 40 30 IKEBHM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1[O-] ZINC000408963177 556901754 /nfs/dbraw/zinc/90/17/54/556901754.db2.gz XQPNBHFHDPSQGG-RIYZIHGNSA-N -1 3 443.739 5.643 40 30 IKEBHM CCOc1cc(/C=N/[O-])ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409004672 556915345 /nfs/dbraw/zinc/91/53/45/556915345.db2.gz BECPRMUUFURELU-LQKURTRISA-N -1 3 448.563 5.379 40 30 IKEBHM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2[O-])cc1C(C)C ZINC000409283072 557047886 /nfs/dbraw/zinc/04/78/86/557047886.db2.gz QIFCOVSWEQLWCU-UHFFFAOYSA-N -1 3 427.504 5.092 40 30 IKEBHM C=CCOc1c(Br)cc(-c2nc3ccccc3c(=O)[n-]2)cc1Br ZINC000409263082 557078310 /nfs/dbraw/zinc/07/83/10/557078310.db2.gz KDQOBPXHNBHGPO-UHFFFAOYSA-N -1 3 436.103 5.092 40 30 IKEBHM CCOc1cc(-c2nc3ccccn3c2/N=C/c2cccc(Br)c2)ccc1[O-] ZINC000408734997 557142679 /nfs/dbraw/zinc/14/26/79/557142679.db2.gz IPQTWDUKUAJRTQ-ZVHZXABRSA-N -1 3 436.309 5.619 40 30 IKEBHM CC(Nc1ccc(C)cc1)=C1C(=O)C(=O)N(c2ccc([O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000100249808 557255984 /nfs/dbraw/zinc/25/59/84/557255984.db2.gz NTRUXCXPSZLYHC-PLJYQOKSSA-N -1 3 432.907 5.397 40 30 IKEBHM COc1ccc(Br)c(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1[O-] ZINC000100933744 557278828 /nfs/dbraw/zinc/27/88/28/557278828.db2.gz BJONPJXGOYZKPA-WYMPLXKRSA-N -1 3 437.293 6.031 40 30 IKEBHM CCCCCCCCC(=N\[O-])/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000100934600 557279203 /nfs/dbraw/zinc/27/92/03/557279203.db2.gz BPPZUCFHZWACGP-SZXZEDJCSA-N -1 3 429.586 5.258 40 30 IKEBHM COc1cc(Br)cc(/C=N/c2ccccc2Sc2c(C)n[nH]c2C)c1[O-] ZINC000101018527 557281370 /nfs/dbraw/zinc/28/13/70/557281370.db2.gz GXBZHJOMAWVYEQ-UFFVCSGVSA-N -1 3 432.343 5.405 40 30 IKEBHM CCCCCCCCCCCCOc1ccc(C(=NNC(=N)N)c2ccccc2)c([O-])c1 ZINC000104391351 557326419 /nfs/dbraw/zinc/32/64/19/557326419.db2.gz SFKBCHSNVQZYJD-XLVZBRSZSA-N -1 3 438.616 5.927 40 30 IKEBHM C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000014271472 557332390 /nfs/dbraw/zinc/33/23/90/557332390.db2.gz HERMQYHZCPTETL-INIZCTEOSA-N -1 3 445.613 5.390 40 30 IKEBHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@@H]2c1ccccc1 ZINC000015973377 557468453 /nfs/dbraw/zinc/46/84/53/557468453.db2.gz SVTAXIKJBLEKHE-YKSBVNFPSA-N -1 3 433.511 5.124 40 30 IKEBHM [O-]c1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000016384590 557472877 /nfs/dbraw/zinc/47/28/77/557472877.db2.gz VDLYBHHNMHNKHX-WYMPLXKRSA-N -1 3 427.264 5.914 40 30 IKEBHM CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)cc(OCC)c2[O-])c1 ZINC000016637026 557474933 /nfs/dbraw/zinc/47/49/33/557474933.db2.gz JYAAPKXVHYKVKZ-SSDVNMTOSA-N -1 3 439.737 5.696 40 30 IKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000059475471 557824910 /nfs/dbraw/zinc/82/49/10/557824910.db2.gz OTFDAGVPTOBMBV-IOXBOXJCSA-N -1 3 429.719 6.094 40 30 IKEBHM CCOC(=O)c1c(/N=C/c2cc(Br)cc(OC)c2[O-])sc2c1CCCC2 ZINC000096834357 557838467 /nfs/dbraw/zinc/83/84/67/557838467.db2.gz FPBONRSHIXGXQJ-UFFVCSGVSA-N -1 3 438.343 5.031 40 30 IKEBHM CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)ccc3[O-])C2=N)S1 ZINC000097958848 568794786 /nfs/dbraw/zinc/79/47/86/568794786.db2.gz DRUBGDOYKQFQPZ-ZNNJIDPUSA-N -1 3 449.374 5.134 40 30 IKEBHM COc1ccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000027061691 568894725 /nfs/dbraw/zinc/89/47/25/568894725.db2.gz DKMODKNHXDWNDZ-HXUWFJFHSA-N -1 3 439.920 5.501 40 30 IKEBHM Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1C ZINC000017094586 569172516 /nfs/dbraw/zinc/17/25/16/569172516.db2.gz CUMQCLRYQHMBMI-INIZCTEOSA-N -1 3 425.623 5.514 40 30 IKEBHM Cc1cc(C)cc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000017094590 569172861 /nfs/dbraw/zinc/17/28/61/569172861.db2.gz MXWQLAOLCWHNME-INIZCTEOSA-N -1 3 425.623 5.514 40 30 IKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccccc3Cl)sc2C1 ZINC000017097781 569173307 /nfs/dbraw/zinc/17/33/07/569173307.db2.gz WDWMOTDIBAVKKY-LBPRGKRZSA-N -1 3 432.014 5.551 40 30 IKEBHM COc1cc(-c2nc3ccccn3c2/N=C/c2cc(Cl)cc(Cl)c2OC)ccc1[O-] ZINC000033581404 569261751 /nfs/dbraw/zinc/26/17/51/569261751.db2.gz QDASVZXFFWIBDM-BRJLIKDPSA-N -1 3 442.302 5.782 40 30 IKEBHM CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(OC)c4[O-])c3)nc2c1 ZINC000038180019 569262122 /nfs/dbraw/zinc/26/21/22/569262122.db2.gz BTUMZLYQKCALSF-FYDYWCEBSA-N -1 3 434.923 7.127 40 30 IKEBHM CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4[O-])c3)nc2c1 ZINC000038180004 569262176 /nfs/dbraw/zinc/26/21/76/569262176.db2.gz NXJAAWPUFVZTBA-NXYZXBHKSA-N -1 3 449.348 7.227 40 30 IKEBHM COc1cc(COc2c(Cl)cc(/C=N\[O-])cc2OC)ccc1OCc1ccccc1 ZINC000105292585 569262272 /nfs/dbraw/zinc/26/22/72/569262272.db2.gz MSMMRNINCDWJBP-MXAYSNPKSA-N -1 3 427.884 5.323 40 30 IKEBHM CCOc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)cc2Cl)ccc1[O-] ZINC000142773758 569262647 /nfs/dbraw/zinc/26/26/47/569262647.db2.gz NCPYWLXAGXZIFS-DHRITJCHSA-N -1 3 426.303 6.163 40 30 IKEBHM CCOc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000008831562 569290957 /nfs/dbraw/zinc/29/09/57/569290957.db2.gz ZOWAQPIHYWVBRX-OAHLLOKOSA-N -1 3 441.622 5.296 40 30 IKEBHM Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Cl ZINC000008831560 569290984 /nfs/dbraw/zinc/29/09/84/569290984.db2.gz FOZAWMZPVJQGBW-CQSZACIVSA-N -1 3 446.041 5.859 40 30 IKEBHM N#Cc1c([N-]C(=O)c2cc(-c3ccc(Br)cc3)on2)sc2c1CCCC2 ZINC000009597814 569297432 /nfs/dbraw/zinc/29/74/32/569297432.db2.gz CWGNRVQEEKGUTE-UHFFFAOYSA-N -1 3 428.311 5.168 40 30 IKEBHM CCOc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1[O-] ZINC000003140591 569440876 /nfs/dbraw/zinc/44/08/76/569440876.db2.gz CAEZPRRNWQHHBP-ZMOGYAJESA-N -1 3 437.293 6.112 40 30 IKEBHM C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3ccccc3C)c3cc(Cl)c([O-])cc3O2)N1 ZINC000012715358 519075860 /nfs/dbraw/zinc/07/58/60/519075860.db2.gz DWZPVAPVXDLQKE-UUOWRZLLSA-N -1 3 443.012 6.012 40 30 IKEBHM CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)cc(Br)c1[O-] ZINC000408723893 556151249 /nfs/dbraw/zinc/15/12/49/556151249.db2.gz ZOLATXDBRLEKNL-LICLKQGHSA-N -1 3 447.354 5.062 40 30 IKEBHM COc1ccc(-c2csc(/N=C/c3c([O-])ccc4ccccc43)n2)cc1Br ZINC000014406275 556415561 /nfs/dbraw/zinc/41/55/61/556415561.db2.gz ICLKMFPDRFYSQF-FOKLQQMPSA-N -1 3 439.334 6.191 40 30 IKEBHM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc(Br)c1[O-] ZINC000408907021 556492325 /nfs/dbraw/zinc/49/23/25/556492325.db2.gz LAJKEFXSELAWSG-SLHJDRLVSA-N -1 3 447.354 5.176 40 30 IKEBHM O=C1/C(=C\c2cc(Cl)ccc2[O-])S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000408909256 556496101 /nfs/dbraw/zinc/49/61/01/556496101.db2.gz GXVCKBGHTKMQCT-IPLYMLRXSA-N -1 3 434.948 5.892 40 30 IKEBHM COc1ccc2nc(C=Cc3ccccc3)cc(NN=Cc3c([O-])ccc4ccccc43)c2c1 ZINC000016227745 556593335 /nfs/dbraw/zinc/59/33/35/556593335.db2.gz ZSJJEMZWZZGXEN-PNVNKOADSA-N -1 3 445.522 6.719 40 30 IKEBHM C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc([O-])cc1C ZINC000016282086 556596528 /nfs/dbraw/zinc/59/65/28/556596528.db2.gz DJRBWZBKMFPHCG-KEBDBYFISA-N -1 3 425.120 5.541 40 30 IKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000016431017 556607510 /nfs/dbraw/zinc/60/75/10/556607510.db2.gz BUTAKHKIVPCEAZ-OAHLVZFQSA-N -1 3 438.739 6.300 40 30 IKEBHM CCOc1cc(Cl)cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1[O-] ZINC000016688207 556626026 /nfs/dbraw/zinc/62/60/26/556626026.db2.gz RGSCKZKPPSMLRB-BRJLIKDPSA-N -1 3 443.355 7.125 40 30 IKEBHM CCOc1cc(/C=C2\CC/C(=C\c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1[O-] ZINC000013915531 556661792 /nfs/dbraw/zinc/66/17/92/556661792.db2.gz QQAKAVJMPISDNX-BGPOSVGRSA-N -1 3 449.330 6.032 40 30 IKEBHM O=C1N/C(=N/c2ccc(Cl)cc2Br)S/C1=C\c1cc(Cl)ccc1[O-] ZINC000013915109 556662127 /nfs/dbraw/zinc/66/21/27/556662127.db2.gz HGQKWBZYWULULP-NSIKDUERSA-N -1 3 444.137 5.353 40 30 IKEBHM CCOc1cc(Br)cc(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c1[O-] ZINC000000797377 556695848 /nfs/dbraw/zinc/69/58/48/556695848.db2.gz KIRJSPVKWJLZMK-ZVHZXABRSA-N -1 3 439.309 5.556 40 30 IKEBHM COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c([N+](=O)[O-])cc1[O-] ZINC000000851456 556721986 /nfs/dbraw/zinc/72/19/86/556721986.db2.gz WXWJUPFMZBMIRT-VWLOTQADSA-N -1 3 444.487 5.772 40 30 IKEBHM COC1=CC(=[NH+][N-]c2cccc(Cl)c2)C=C(C=Nc2cc(C(C)(C)C)ccc2[O-])C1=O ZINC000006075313 556828138 /nfs/dbraw/zinc/82/81/38/556828138.db2.gz XAFRXOBCIAAZJP-CULPDNDYSA-N -1 3 437.927 7.223 40 30 IKEBHM CCCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408909702 556887481 /nfs/dbraw/zinc/88/74/81/556887481.db2.gz DQLPYKVZNNOJBI-XFKFKZEQSA-N -1 3 430.957 5.767 40 30 IKEBHM CCCCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408909691 556887540 /nfs/dbraw/zinc/88/75/40/556887540.db2.gz DPDOUUFTXQTTIA-SQJAOTTLSA-N -1 3 444.984 6.157 40 30 IKEBHM CCc1ccccc1/N=C1\S/C(=C/c2cc(Br)ccc2[O-])C(=O)N1CC ZINC000408914101 556889561 /nfs/dbraw/zinc/88/95/61/556889561.db2.gz SSVMJNLZGHESEV-FTIPTLOASA-N -1 3 431.355 5.341 40 30 IKEBHM CCN1C(=O)/C(=C\c2cc(Br)ccc2[O-])S/C1=N\c1c(C)cccc1C ZINC000408914155 556889607 /nfs/dbraw/zinc/88/96/07/556889607.db2.gz VTLMLIXCHRDPBB-SLHJDRLVSA-N -1 3 431.355 5.395 40 30 IKEBHM COc1ccc(-c2oc(/N=C/c3ccc(O)c([O-])c3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408918659 556891468 /nfs/dbraw/zinc/89/14/68/556891468.db2.gz NIDRKNQNYQRVDZ-RWPZCVJISA-N -1 3 440.455 5.664 40 30 IKEBHM COc1ccc(-c2oc(/N=C/c3ccc([O-])c(O)c3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408918659 556891471 /nfs/dbraw/zinc/89/14/71/556891471.db2.gz NIDRKNQNYQRVDZ-RWPZCVJISA-N -1 3 440.455 5.664 40 30 IKEBHM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccc([O-])c3)c2C(=O)Nc2ccccc2)C1 ZINC000409084118 556948421 /nfs/dbraw/zinc/94/84/21/556948421.db2.gz WOLRBIVNKHDQCH-ZQZJVFIWSA-N -1 3 432.589 6.608 40 30 IKEBHM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccc([O-])c3)c2C(=O)Nc2ccccc2)C1 ZINC000409084115 556948430 /nfs/dbraw/zinc/94/84/30/556948430.db2.gz WOLRBIVNKHDQCH-GEGDGZKASA-N -1 3 432.589 6.608 40 30 IKEBHM O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1c([O-])ccc2ccccc21 ZINC000409304358 557056308 /nfs/dbraw/zinc/05/63/08/557056308.db2.gz LAGVJXRIZUANMZ-UHFFFAOYSA-N -1 3 431.451 5.551 40 30 IKEBHM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Cl)c1[O-] ZINC000409295713 557093882 /nfs/dbraw/zinc/09/38/82/557093882.db2.gz OZNWKKIEOZJDIA-UHFFFAOYSA-N -1 3 425.916 5.084 40 30 IKEBHM COc1c([O-])ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1[N+](=O)[O-] ZINC000408720984 557134860 /nfs/dbraw/zinc/13/48/60/557134860.db2.gz HQVDGJDUOVBQJF-LELCQQSUSA-N -1 3 447.472 5.118 40 30 IKEBHM COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1[O-] ZINC000408783827 557207045 /nfs/dbraw/zinc/20/70/45/557207045.db2.gz RMSKLFRULTZDMJ-QPEQYQDCSA-N -1 3 429.712 5.253 40 30 IKEBHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@@H]2c1ccccc1 ZINC000100421493 557260452 /nfs/dbraw/zinc/26/04/52/557260452.db2.gz FQNBGXGKYSKSJR-YKSBVNFPSA-N -1 3 433.511 5.536 40 30 IKEBHM CCCCCCCCOc1ccc(C(=O)Oc2ccc(/C(CCCC)=N/[O-])cc2)cc1 ZINC000103012441 557311882 /nfs/dbraw/zinc/31/18/82/557311882.db2.gz CHYHMZBUHUCALD-IMVLJIQESA-N -1 3 425.569 7.014 40 30 IKEBHM CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1[O-] ZINC000104364971 557325849 /nfs/dbraw/zinc/32/58/49/557325849.db2.gz WNACIALNKLPCHY-WEMUOSSPSA-N -1 3 447.733 7.452 40 30 IKEBHM CCCCCCCCCCCCNC(=S)N/N=C/c1cc(Br)ccc1[O-] ZINC000104380312 557326113 /nfs/dbraw/zinc/32/61/13/557326113.db2.gz KVWDSZNHQQQTSW-XQNSMLJCSA-N -1 3 442.467 5.874 40 30 IKEBHM CCCCCCCCCCCCOc1ccc(C(=NNC(=N)N)c2ccccc2)c([O-])c1 ZINC000104391349 557326344 /nfs/dbraw/zinc/32/63/44/557326344.db2.gz SFKBCHSNVQZYJD-GNVQSUKOSA-N -1 3 438.616 5.927 40 30 IKEBHM Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(Cl)c1 ZINC000014271486 557332094 /nfs/dbraw/zinc/33/20/94/557332094.db2.gz BMOGXRCRGOJKIF-CYBMUJFWSA-N -1 3 446.041 5.859 40 30 IKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)Cc3ccc(Cl)cc3)sc2C1 ZINC000014271545 557332407 /nfs/dbraw/zinc/33/24/07/557332407.db2.gz WOMCXKWLHUQIGQ-AWEZNQCLSA-N -1 3 446.041 5.480 40 30 IKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2C1 ZINC000014273267 557332665 /nfs/dbraw/zinc/33/26/65/557332665.db2.gz DRIRRCKQTROLNF-CQSZACIVSA-N -1 3 449.532 6.191 40 30 IKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc4ccccc43)sc2C1 ZINC000014271534 557332689 /nfs/dbraw/zinc/33/26/89/557332689.db2.gz NQCHOKSMFSDTND-INIZCTEOSA-N -1 3 447.629 6.051 40 30 IKEBHM C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000014271470 557332719 /nfs/dbraw/zinc/33/27/19/557332719.db2.gz HERMQYHZCPTETL-MRXNPFEDSA-N -1 3 445.613 5.390 40 30 IKEBHM CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cc3ccccc3Cl)ccc2[O-])c1 ZINC000016637037 557474952 /nfs/dbraw/zinc/47/49/52/557474952.db2.gz ZLOAUZJDFOUTCQ-JFLMPSFJSA-N -1 3 441.358 6.779 40 30 IKEBHM CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)ccc4[O-])cc3)nc2c1 ZINC000019648623 557506148 /nfs/dbraw/zinc/50/61/48/557506148.db2.gz ZEJJHWKGOBTBNJ-NXYZXBHKSA-N -1 3 449.348 7.227 40 30 IKEBHM N#Cc1ccnc([N-]c2nc([C@H]3CCCCN3Cc3cnn(C4CCCC4)c3)cs2)c1 ZINC000585295359 568632371 /nfs/dbraw/zinc/63/23/71/568632371.db2.gz WNJKDOLRBZKQEG-OAQYLSRUSA-N -1 3 433.585 5.192 40 30 IKEBHM Cc1ccc(/N=C/c2ccc3ccccc3c2[O-])cc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000100107548 568841320 /nfs/dbraw/zinc/84/13/20/568841320.db2.gz HBZLWIZKBMWHHS-OCSSWDANSA-N -1 3 438.571 6.759 40 30 IKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(Cl)cc3)sc2C1 ZINC000017097783 569173715 /nfs/dbraw/zinc/17/37/15/569173715.db2.gz GDTAVYAIQHWFMK-ZDUSSCGKSA-N -1 3 432.014 5.551 40 30 IKEBHM CC[C@H](C)c1ccccc1/N=C/c1c([O-])c(OC)cc(Br)c1Br ZINC000038179987 569262167 /nfs/dbraw/zinc/26/21/67/569262167.db2.gz GCQVOHZIKFHUPM-JYQBEENSSA-N -1 3 441.163 6.190 40 30 IKEBHM CC[C@@H](C)c1ccccc1/N=C/c1c([O-])c(OC)cc(Br)c1Br ZINC000038179986 569262149 /nfs/dbraw/zinc/26/21/49/569262149.db2.gz GCQVOHZIKFHUPM-OHBSIKEHSA-N -1 3 441.163 6.190 40 30 IKEBHM CCOc1cc(Cl)cc(/C=N/c2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)c1[O-] ZINC000038180033 569262160 /nfs/dbraw/zinc/26/21/60/569262160.db2.gz NVOJACLYBDWMCH-SSVJFZKPSA-N -1 3 448.950 7.517 40 30 IKEBHM CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4[O-])c3)nc2c1 ZINC000038180005 569262174 /nfs/dbraw/zinc/26/21/74/569262174.db2.gz NXJAAWPUFVZTBA-IXORVSQSSA-N -1 3 449.348 7.227 40 30 IKEBHM Cc1cc(C)cc(-c2nc3cc(/N=C/C=C/c4cc(Br)ccc4[O-])ccc3o2)c1 ZINC000003034007 569437868 /nfs/dbraw/zinc/43/78/68/569437868.db2.gz FXNXXLUFZLMRMB-FXLZSLRCSA-N -1 3 447.332 6.995 40 30 IKEBHM N#Cc1cnc([N-]c2cccc([C@@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)s1 ZINC000585294702 569583074 /nfs/dbraw/zinc/58/30/74/569583074.db2.gz UGBDLTHGKSERSU-QFIPXVFZSA-N -1 3 445.592 5.812 40 30 IKEBHM C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3ccccc3C)c3cc(Cl)c([O-])cc3O2)N1 ZINC000012715371 519075490 /nfs/dbraw/zinc/07/54/90/519075490.db2.gz DWZPVAPVXDLQKE-HOYKHHGWSA-N -1 3 443.012 6.012 40 30 IKEBHM C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3ccccc3C)c3cc(Cl)c([O-])cc3O2)N1 ZINC000012715362 519076307 /nfs/dbraw/zinc/07/63/07/519076307.db2.gz DWZPVAPVXDLQKE-KOSHJBKYSA-N -1 3 443.012 6.012 40 30 IKEBHM CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc([O-])c1 ZINC000013477375 520556374 /nfs/dbraw/zinc/55/63/74/520556374.db2.gz NBRUHMFTBIDXIS-BEIQUOEZSA-N -1 3 441.578 5.175 40 30 IKEBHM CCOc1cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc(Cl)c1[O-] ZINC000035189689 520647005 /nfs/dbraw/zinc/64/70/05/520647005.db2.gz ZSUHLNNMMGSEKE-FISMNSNESA-N -1 3 430.707 5.466 40 30 IKEBHM O=C1c2cccc3cc(/N=C/c4c([O-])ccc5ccccc54)cc(c32)C(=O)N1c1ccccc1 ZINC000013550214 527125344 /nfs/dbraw/zinc/12/53/44/527125344.db2.gz ICEPYVXQZPLVBA-OCSSWDANSA-N -1 3 442.474 6.250 40 30 IKEBHM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408741055 556213589 /nfs/dbraw/zinc/21/35/89/556213589.db2.gz NQJHOZBFCUPAAU-VCOZGABYSA-N -1 3 430.489 5.487 40 30 IKEBHM C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Cl)ccc2[O-])S/C1=N\c1ccccc1 ZINC000408912704 556497725 /nfs/dbraw/zinc/49/77/25/556497725.db2.gz QZFXCHUKDNEPRS-OXOFAPQTSA-N -1 3 434.948 6.411 40 30 IKEBHM CCCCN1C(=O)/C(=C\c2cc(Br)ccc2[O-])S/C1=N\c1ccc(C)cc1 ZINC000408911424 556497944 /nfs/dbraw/zinc/49/79/44/556497944.db2.gz JLUWSEGZZONNPA-DNLCFCFBSA-N -1 3 445.382 5.867 40 30 IKEBHM COc1cc(Cl)cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1[O-] ZINC000032114566 556530932 /nfs/dbraw/zinc/53/09/32/556530932.db2.gz CNZKLPGQCNOALY-LGJNPRDNSA-N -1 3 434.879 6.112 40 30 IKEBHM COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1[O-] ZINC000032115416 556531586 /nfs/dbraw/zinc/53/15/86/556531586.db2.gz WNLYCMJYHQOVHD-JQAMDZJQSA-N -1 3 449.240 6.545 40 30 IKEBHM CCOc1cc(Cl)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1[O-] ZINC000016688200 556626022 /nfs/dbraw/zinc/62/60/22/556626022.db2.gz BBYDXUAAYKMIGB-BRJLIKDPSA-N -1 3 428.838 5.050 40 30 IKEBHM CCOc1cc(Cl)cc(/C=N/c2ccc(I)cc2Cl)c1[O-] ZINC000016688212 556626040 /nfs/dbraw/zinc/62/60/40/556626040.db2.gz DVPJYDRACSTHCD-UFWORHAWSA-N -1 3 436.076 5.453 40 30 IKEBHM COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c([N+](=O)[O-])cc1[O-] ZINC000000851455 556721963 /nfs/dbraw/zinc/72/19/63/556721963.db2.gz WXWJUPFMZBMIRT-RUZDIDTESA-N -1 3 444.487 5.772 40 30 IKEBHM [O-]/N=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000409056257 556759235 /nfs/dbraw/zinc/75/92/35/556759235.db2.gz LIZLKFMBVKMTRE-UFFVCSGVSA-N -1 3 435.115 5.752 40 30 IKEBHM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409078638 556782379 /nfs/dbraw/zinc/78/23/79/556782379.db2.gz HSDQQOJJGIAXQM-ZQZJVFIWSA-N -1 3 432.589 6.608 40 30 IKEBHM C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2[O-])S/C1=N\c1ccccc1 ZINC000408864601 556873050 /nfs/dbraw/zinc/87/30/50/556873050.db2.gz XHPVTLQLVTWJSR-CZCFBLPSSA-N -1 3 426.969 6.228 40 30 IKEBHM CCCCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408908993 556887110 /nfs/dbraw/zinc/88/71/10/556887110.db2.gz BIVWJKQYXIDPOD-XFKFKZEQSA-N -1 3 430.957 5.767 40 30 IKEBHM CCCN1C(=O)/C(=C\c2cc(Br)ccc2[O-])S/C1=N\c1ccc(C)cc1 ZINC000408914005 556889467 /nfs/dbraw/zinc/88/94/67/556889467.db2.gz RZOUUQGWTGIZKN-FTIPTLOASA-N -1 3 431.355 5.477 40 30 IKEBHM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc(Cl)c1[O-] ZINC000408914038 556889656 /nfs/dbraw/zinc/88/96/56/556889656.db2.gz SDVHYXKEBZLRIV-SOUBFYRASA-N -1 3 444.984 6.155 40 30 IKEBHM [O-]c1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408934464 556895436 /nfs/dbraw/zinc/89/54/36/556895436.db2.gz AXZLGUIZJPHXLA-PYYTVRKUSA-N -1 3 445.360 6.732 40 30 IKEBHM O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cc(Br)ccc1[O-] ZINC000408963249 556901840 /nfs/dbraw/zinc/90/18/40/556901840.db2.gz BCHSCBRLDMMIAH-NTUHNPAUSA-N -1 3 444.137 5.353 40 30 IKEBHM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3[O-])c2C(=O)NCc2ccco2)C1 ZINC000409092690 556949341 /nfs/dbraw/zinc/94/93/41/556949341.db2.gz WCJBVSCNDMIHDD-PZLUAEMBSA-N -1 3 436.577 5.878 40 30 IKEBHM CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc([O-])cc2)nnc1-c1ccco1 ZINC000409191290 556991740 /nfs/dbraw/zinc/99/17/40/556991740.db2.gz URKKEWIATYNEMT-LPYMAVHISA-N -1 3 435.465 5.074 40 30 IKEBHM COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1[O-] ZINC000409214054 557008665 /nfs/dbraw/zinc/00/86/65/557008665.db2.gz XISUPHDQJURTCJ-LPYMAVHISA-N -1 3 445.256 5.548 40 30 IKEBHM CCOc1cc(/C=N\[O-])cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540671 557033323 /nfs/dbraw/zinc/03/33/23/557033323.db2.gz VAHZMLBHFMJVCL-WGARJPEWSA-N -1 3 441.911 5.713 40 30 IKEBHM O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1cc(Br)ccc1[O-] ZINC000408750300 557158692 /nfs/dbraw/zinc/15/86/92/557158692.db2.gz ZQTHKWPFPJTUEL-MKMNVTDBSA-N -1 3 444.137 5.353 40 30 IKEBHM CC(Nc1ccc(C)cc1)=C1C(=O)C(=O)N(c2ccc([O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000100249804 557256011 /nfs/dbraw/zinc/25/60/11/557256011.db2.gz NTRUXCXPSZLYHC-GTRUEHEQSA-N -1 3 432.907 5.397 40 30 IKEBHM CCCCCCCCCCC/C(=N\[O-])c1ccc(OCCCCCCCCCC)cc1O ZINC000100922071 557278874 /nfs/dbraw/zinc/27/88/74/557278874.db2.gz ZXONIAIFOGJWPL-ORIPQNMZSA-N -1 3 447.704 9.011 40 30 IKEBHM CCOc1ccc(Br)c(/C=N\c2ccc3oc(-c4ccccc4)nc3c2)c1[O-] ZINC000100933764 557278926 /nfs/dbraw/zinc/27/89/26/557278926.db2.gz SRBMJRDAERVICJ-CFRMEGHHSA-N -1 3 437.293 6.112 40 30 IKEBHM CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(O)cc1[O-] ZINC000104348853 557325490 /nfs/dbraw/zinc/32/54/90/557325490.db2.gz VMKYOVPRCOYZRR-LHLOQNFPSA-N -1 3 435.678 6.377 40 30 IKEBHM CCOc1cccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000014271499 557332340 /nfs/dbraw/zinc/33/23/40/557332340.db2.gz WJQQYFKSQNZETR-HNNXBMFYSA-N -1 3 441.622 5.296 40 30 IKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)Cc3ccc(Cl)cc3)sc2C1 ZINC000014271543 557332350 /nfs/dbraw/zinc/33/23/50/557332350.db2.gz WOMCXKWLHUQIGQ-CQSZACIVSA-N -1 3 446.041 5.480 40 30 IKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2C1 ZINC000014273301 557332683 /nfs/dbraw/zinc/33/26/83/557332683.db2.gz NQKPBUZATPMHHV-HNNXBMFYSA-N -1 3 449.532 6.191 40 30 IKEBHM Cc1ccc(N=C2C=C([N-]S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)cc1 ZINC000102629432 557360276 /nfs/dbraw/zinc/36/02/76/557360276.db2.gz ZLDXHGPVIOWJRQ-QLYXXIJNSA-N -1 3 436.920 5.019 40 30 IKEBHM Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc([O-])cc3)c2-c2ccccc2)cc1 ZINC000016311376 557472264 /nfs/dbraw/zinc/47/22/64/557472264.db2.gz MLLGTQQREOCXHJ-NJZRLIGZSA-N -1 3 428.535 7.576 40 30 IKEBHM COc1cc(Br)c(Br)c(/C=N/C23CC4CC(CC(C4)C2)C3)c1[O-] ZINC000019637628 557503189 /nfs/dbraw/zinc/50/31/89/557503189.db2.gz ACQWVLSGWDCDIQ-ZVBGSRNCSA-N -1 3 443.179 5.314 40 30 IKEBHM CCOc1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)c1[O-] ZINC000019648243 557505613 /nfs/dbraw/zinc/50/56/13/557505613.db2.gz KJCUIODJRMGZRU-SSVJFZKPSA-N -1 3 448.950 7.517 40 30 IKEBHM Cn1cc(CN2CCCC[C@H]2c2csc([N-]c3cc(C#N)ccn3)n2)c2cc(F)ccc21 ZINC000585294408 568632494 /nfs/dbraw/zinc/63/24/94/568632494.db2.gz DZHXVAYLCUYSJD-QFIPXVFZSA-N -1 3 446.555 5.511 40 30 IKEBHM Cn1cc(CN2CCCC[C@H]2c2csc([N-]c3cc(C#N)ccn3)n2)c2ccccc21 ZINC000585295148 568632628 /nfs/dbraw/zinc/63/26/28/568632628.db2.gz NCSGTYHJDUWFQK-QFIPXVFZSA-N -1 3 428.565 5.372 40 30 IKEBHM CCCCc1ccc(CN2CCCC[C@H]2c2csc([N-]c3cc(C#N)ccn3)n2)s1 ZINC000585294746 568632953 /nfs/dbraw/zinc/63/29/53/568632953.db2.gz JADLJFPTRLNCAD-NRFANRHFSA-N -1 3 437.638 6.285 40 30 IKEBHM C=C(CCCC)[N@H+](Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H](C(=O)[O-])C(C)C ZINC000584578851 568866056 /nfs/dbraw/zinc/86/60/56/568866056.db2.gz ACDVQHBMHPGDII-QHCPKHFHSA-N -1 3 433.556 5.149 40 30 IKEBHM C=C(CCCC)[N@@H+](Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H](C(=O)[O-])C(C)C ZINC000584578851 568866057 /nfs/dbraw/zinc/86/60/57/568866057.db2.gz ACDVQHBMHPGDII-QHCPKHFHSA-N -1 3 433.556 5.149 40 30 IKEBHM C=C(CCCC)[N@H+](Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H](C(=O)[O-])C(C)C ZINC000584578851 568866058 /nfs/dbraw/zinc/86/60/58/568866058.db2.gz ACDVQHBMHPGDII-QHCPKHFHSA-N -1 3 433.556 5.149 40 30 IKEBHM C=C(CCCC)[N@@H+](Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H](C(=O)[O-])C(C)C ZINC000584578851 568866059 /nfs/dbraw/zinc/86/60/59/568866059.db2.gz ACDVQHBMHPGDII-QHCPKHFHSA-N -1 3 433.556 5.149 40 30 IKEBHM CC(C)(C)c1cc2oc3c(c2c(/C=N/c2sc4c(c2C#N)CCCC4)c1[O-])CCCC3 ZINC000102939810 568890795 /nfs/dbraw/zinc/89/07/95/568890795.db2.gz NAOZZANXCNOIPO-CCVNUDIWSA-N -1 3 432.589 6.877 40 30 IKEBHM Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000001840479 568916412 /nfs/dbraw/zinc/91/64/12/568916412.db2.gz SQCRRVCVKFHNGC-HNNXBMFYSA-N -1 3 425.623 5.514 40 30 IKEBHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)sc2C1 ZINC000017097417 569172510 /nfs/dbraw/zinc/17/25/10/569172510.db2.gz QROSFKTVJKDZTL-LLVKDONJSA-N -1 3 431.344 6.564 40 30 IKEBHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)sc2C1 ZINC000017097409 569172720 /nfs/dbraw/zinc/17/27/20/569172720.db2.gz UUKARDXUFASYQB-NSHDSACASA-N -1 3 431.344 6.564 40 30 IKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc(Cl)c3)sc2C1 ZINC000017097778 569173533 /nfs/dbraw/zinc/17/35/33/569173533.db2.gz JMFJSCDMCNUZKB-CYBMUJFWSA-N -1 3 432.014 5.551 40 30 IKEBHM Cc1cc(Cl)cc(/C=N/c2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1[O-] ZINC000038162651 569262115 /nfs/dbraw/zinc/26/21/15/569262115.db2.gz AWSAOBYLNBZVLP-OPEKNORGSA-N -1 3 425.271 5.559 40 30 IKEBHM COc1cc(COc2c(Cl)cc(/C=N\[O-])cc2Cl)ccc1OCc1ccccc1 ZINC000107975504 569262374 /nfs/dbraw/zinc/26/23/74/569262374.db2.gz MCJHVVNDPHXVMW-ROTLSHHCSA-N -1 3 432.303 5.968 40 30 IKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000003060159 569439469 /nfs/dbraw/zinc/43/94/69/569439469.db2.gz GBNQRJDCGFFRSD-FOKLQQMPSA-N -1 3 427.685 6.367 40 30 IKEBHM Cc1ccc(S(=O)(=O)Nc2cc(/N=C/c3ccccc3[O-])c(Cl)cc2Cl)cc1 ZINC000003202179 569441597 /nfs/dbraw/zinc/44/15/97/569441597.db2.gz HVNUMQMNHVMHQF-FSJBWODESA-N -1 3 435.332 5.559 40 30 IKEBHM CCOc1cc(Br)cc(/C=N/c2ccccc2Sc2c(C)n[nH]c2C)c1[O-] ZINC000000793626 520651627 /nfs/dbraw/zinc/65/16/27/520651627.db2.gz JNBIEMQRDSODHT-SSDVNMTOSA-N -1 3 446.370 5.795 40 30 IKEBHM [O-]c1ccc(Br)cc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000013302170 526340851 /nfs/dbraw/zinc/34/08/51/526340851.db2.gz PSELOPJOFOUHGR-MFKUBSTISA-N -1 3 445.320 5.725 40 30 IKEBHM Cc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1[O-] ZINC000032114586 556530868 /nfs/dbraw/zinc/53/08/68/556530868.db2.gz JMCHWXHMNFMQQX-XODNFHPESA-N -1 3 447.321 7.719 40 30 IKEBHM CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(OCC)c2[O-])cc1OC ZINC000032114836 556531192 /nfs/dbraw/zinc/53/11/92/556531192.db2.gz KTHYJTQXNLPGRI-YDZHTSKRSA-N -1 3 449.345 5.441 40 30 IKEBHM Cc1cc([O-])c(/C=N/c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1Cl ZINC000016267666 556595896 /nfs/dbraw/zinc/59/58/96/556595896.db2.gz VBRKPDMEBPLLHM-RWPZCVJISA-N -1 3 434.967 6.963 40 30 IKEBHM Cc1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1[O-] ZINC000016269521 556596227 /nfs/dbraw/zinc/59/62/27/556596227.db2.gz GOJHBLLXNCJTNV-BHGWPJFGSA-N -1 3 443.263 5.069 40 30 IKEBHM Cc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1[O-] ZINC000016269551 556596285 /nfs/dbraw/zinc/59/62/85/556596285.db2.gz ULYIUUFXPJWONH-BHGWPJFGSA-N -1 3 425.257 6.161 40 30 IKEBHM [O-]c1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000016450184 556609199 /nfs/dbraw/zinc/60/91/99/556609199.db2.gz LCAANJPRZCNKCJ-STBIYBPSSA-N -1 3 448.349 7.833 40 30 IKEBHM O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1Br)c1ccccc1 ZINC000016476809 556610663 /nfs/dbraw/zinc/61/06/63/556610663.db2.gz HMPZXTRHNDTMJA-FSJBWODESA-N -1 3 429.701 5.811 40 30 IKEBHM CCOc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3ccco3)cc2)c1[O-] ZINC000016688209 556626012 /nfs/dbraw/zinc/62/60/12/556626012.db2.gz ZZKUTMCPZUBMEC-WSDLNYQXSA-N -1 3 429.270 5.149 40 30 IKEBHM CCOc1cc(Br)cc(/C=N/c2ccc(OC)c(Br)c2)c1[O-] ZINC000016688203 556626029 /nfs/dbraw/zinc/62/60/29/556626029.db2.gz YMGYZGLOIYYNBA-DJKKODMXSA-N -1 3 429.108 5.075 40 30 IKEBHM [O-]c1cc2ccccc2cc1-c1nc2cc(/N=C/c3ccc(Cl)cc3Cl)ccc2o1 ZINC000003116168 556759025 /nfs/dbraw/zinc/75/90/25/556759025.db2.gz TTWPWVYKTVYBES-UVHMKAGCSA-N -1 3 433.294 7.411 40 30 IKEBHM COc1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(Cl)c1[O-] ZINC000408803141 556859598 /nfs/dbraw/zinc/85/95/98/556859598.db2.gz LQJZTJBZWHJNOY-MXAYSNPKSA-N -1 3 447.000 5.808 40 30 IKEBHM Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3c([O-])ccc4ccccc34)cc1)N2 ZINC000408936450 556895674 /nfs/dbraw/zinc/89/56/74/556895674.db2.gz GLSSUTWJJAVVCN-QSOHTTGPSA-N -1 3 430.551 7.431 40 30 IKEBHM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccc([O-])c3)c2C(=O)NCc2ccco2)C1 ZINC000409076898 556944292 /nfs/dbraw/zinc/94/42/92/556944292.db2.gz COBHTZGLJKQMOC-PZLUAEMBSA-N -1 3 436.577 5.878 40 30 IKEBHM CCOc1cc(COc2c(Cl)cc(/C=N\[O-])cc2Cl)ccc1OCc1ccccc1 ZINC000408540523 557033361 /nfs/dbraw/zinc/03/33/61/557033361.db2.gz SVPRNSGIIIVFLX-ZMFRSBBQSA-N -1 3 446.330 6.358 40 30 IKEBHM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c([O-])ccc2ccccc21 ZINC000409283213 557047741 /nfs/dbraw/zinc/04/77/41/557047741.db2.gz RIPHORLTOXDTAT-UHFFFAOYSA-N -1 3 436.309 5.023 40 30 IKEBHM C[C@@H](Sc1nc2ccc(/N=C/c3ccccc3[O-])cc2s1)C(=O)Nc1nccs1 ZINC000100097275 557111243 /nfs/dbraw/zinc/11/12/43/557111243.db2.gz PYYJNXVXPRIIDF-VTGBELTLSA-N -1 3 440.575 5.328 40 30 IKEBHM C[C@H](Sc1nc2ccc(/N=C/c3ccccc3[O-])cc2s1)C(=O)Nc1nccs1 ZINC000100097279 557111293 /nfs/dbraw/zinc/11/12/93/557111293.db2.gz PYYJNXVXPRIIDF-JHAVZTMOSA-N -1 3 440.575 5.328 40 30 IKEBHM [O-]c1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1 ZINC000100461239 557113901 /nfs/dbraw/zinc/11/39/01/557113901.db2.gz DNEOZYWUICHAEH-AJBULDERSA-N -1 3 448.953 7.921 40 30 IKEBHM CCOc1cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc(Cl)c1[O-] ZINC000101512731 557124788 /nfs/dbraw/zinc/12/47/88/557124788.db2.gz ZSUHLNNMMGSEKE-VVAXDPKNSA-N -1 3 430.707 5.466 40 30 IKEBHM COc1cc(/C=N/c2ccc([O-])cc2)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000003095159 557136081 /nfs/dbraw/zinc/13/60/81/557136081.db2.gz JOCSSSZHFPBWCB-DHRITJCHSA-N -1 3 437.904 6.239 40 30 IKEBHM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408741052 557149481 /nfs/dbraw/zinc/14/94/81/557149481.db2.gz NQJHOZBFCUPAAU-NMWDDECMSA-N -1 3 430.489 5.487 40 30 IKEBHM O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C/c1cc(Br)ccc1[O-] ZINC000408749278 557156771 /nfs/dbraw/zinc/15/67/71/557156771.db2.gz NAXILNFEEAMKKO-MKMNVTDBSA-N -1 3 444.137 5.353 40 30 IKEBHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@H]2c1ccccc1 ZINC000100421508 557260547 /nfs/dbraw/zinc/26/05/47/557260547.db2.gz FQNBGXGKYSKSJR-GBXCKJPGSA-N -1 3 433.511 5.536 40 30 IKEBHM CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(O)cc1[O-] ZINC000104348849 557325567 /nfs/dbraw/zinc/32/55/67/557325567.db2.gz VMKYOVPRCOYZRR-QOMWVZHYSA-N -1 3 435.678 6.377 40 30 IKEBHM Cc1sc([N-]C(=S)NC(=O)c2cccc3c(Br)cccc23)c(C#N)c1C ZINC000014271463 557332100 /nfs/dbraw/zinc/33/21/00/557332100.db2.gz JEPOKTYUOVGTRW-UHFFFAOYSA-N -1 3 444.379 5.279 40 30 IKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc4ccccc4c3)sc2C1 ZINC000014271536 557332423 /nfs/dbraw/zinc/33/24/23/557332423.db2.gz RTJHLBXKOFPWHS-GOSISDBHSA-N -1 3 447.629 6.051 40 30 IKEBHM N#Cc1ccccc1[N-]C(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000014270098 557429374 /nfs/dbraw/zinc/42/93/74/557429374.db2.gz LFBSKEYBDQKQQX-SOFGYWHQSA-N -1 3 442.327 5.651 40 30 IKEBHM Cc1sc([N-]C(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C#N)c1C ZINC000014271469 557430798 /nfs/dbraw/zinc/43/07/98/557430798.db2.gz JAJOUVHFNKPONN-UHFFFAOYSA-N -1 3 440.402 5.885 40 30 IKEBHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@H]2c1ccccc1 ZINC000015973383 557468448 /nfs/dbraw/zinc/46/84/48/557468448.db2.gz SVTAXIKJBLEKHE-GBXCKJPGSA-N -1 3 433.511 5.124 40 30 IKEBHM CCOc1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)c1[O-] ZINC000019648246 557505556 /nfs/dbraw/zinc/50/55/56/557505556.db2.gz KJCUIODJRMGZRU-NEZLHVBRSA-N -1 3 448.950 7.517 40 30 IKEBHM C=CCc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc(OCC)c1[O-] ZINC000059302662 557822212 /nfs/dbraw/zinc/82/22/12/557822212.db2.gz UBBWRDNNVZHPBN-PCLIKHOPSA-N -1 3 434.517 6.329 40 30 IKEBHM N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1[O-] ZINC000000855511 557830180 /nfs/dbraw/zinc/83/01/80/557830180.db2.gz YCFCNJOAWORSMM-UHFFFAOYSA-N -1 3 437.524 5.724 40 30 IKEBHM COc1ccc2[nH]c(CN3CCCC[C@@H]3c3csc([N-]c4cc(C#N)ccn4)n3)cc2c1 ZINC000585293914 568632603 /nfs/dbraw/zinc/63/26/03/568632603.db2.gz BTOSFIFJWBBMJN-JOCHJYFZSA-N -1 3 444.564 5.370 40 30 IKEBHM N#Cc1ccnc([N-]c2nc([C@@H]3CCCCN3Cc3cnn(C4CCCC4)c3)cs2)c1 ZINC000585295358 568633093 /nfs/dbraw/zinc/63/30/93/568633093.db2.gz WNJKDOLRBZKQEG-NRFANRHFSA-N -1 3 433.585 5.192 40 30 IKEBHM Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3[O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000210967896 568837771 /nfs/dbraw/zinc/83/77/71/568837771.db2.gz JJFHRYQLFXFWNT-DDOPLPCHSA-N -1 3 434.948 6.471 40 30 IKEBHM CCc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000017094588 569172391 /nfs/dbraw/zinc/17/23/91/569172391.db2.gz VAEBNLXOLHJRLA-INIZCTEOSA-N -1 3 425.623 5.460 40 30 IKEBHM Cc1cc(C)cc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000017094591 569172747 /nfs/dbraw/zinc/17/27/47/569172747.db2.gz MXWQLAOLCWHNME-MRXNPFEDSA-N -1 3 425.623 5.514 40 30 IKEBHM CCCCOc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000017095575 569172752 /nfs/dbraw/zinc/17/27/52/569172752.db2.gz IPSGGAFKZNYNAN-CQSZACIVSA-N -1 3 427.595 5.050 40 30 IKEBHM CCCCOc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000017095574 569172948 /nfs/dbraw/zinc/17/29/48/569172948.db2.gz IPSGGAFKZNYNAN-AWEZNQCLSA-N -1 3 427.595 5.050 40 30 IKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccccc3Cl)sc2C1 ZINC000017097780 569173263 /nfs/dbraw/zinc/17/32/63/569173263.db2.gz WDWMOTDIBAVKKY-GFCCVEGCSA-N -1 3 432.014 5.551 40 30 IKEBHM C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 ZINC000017097666 569173521 /nfs/dbraw/zinc/17/35/21/569173521.db2.gz SIFVSQONMQLNAV-OAHLLOKOSA-N -1 3 431.586 5.538 40 30 IKEBHM COc1cc2ccccc2cc1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000017099669 569173642 /nfs/dbraw/zinc/17/36/42/569173642.db2.gz RYXYNCWWCQBGIR-CYBMUJFWSA-N -1 3 435.574 5.033 40 30 IKEBHM CCOc1cc(Cl)cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1[O-] ZINC000038179856 569262144 /nfs/dbraw/zinc/26/21/44/569262144.db2.gz AEEHNYUFLBUBKR-DHRITJCHSA-N -1 3 429.303 6.101 40 30 IKEBHM Cc1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5)ccc4[O-])ccc3o2)cc1C ZINC000038179881 569262178 /nfs/dbraw/zinc/26/21/78/569262178.db2.gz FUODRZXTBQQYMN-UXHLAJHPSA-N -1 3 432.523 7.159 40 30 IKEBHM O=C(Nc1ccc(/N=C/c2cc(Br)ccc2[O-])cc1)c1cccc(Cl)c1 ZINC000038179849 569262181 /nfs/dbraw/zinc/26/21/81/569262181.db2.gz MKNSLOIUFPKONX-FSJBWODESA-N -1 3 429.701 5.811 40 30 IKEBHM CCOc1ccc(Br)c(C=Nc2ccc3oc(-c4ccccc4)nc3c2)c1[O-] ZINC000257345415 569279979 /nfs/dbraw/zinc/27/99/79/569279979.db2.gz SRBMJRDAERVICJ-UHFFFAOYSA-N -1 3 437.293 6.112 40 30 IKEBHM Cc1cc2nc(-c3ccc(C)c(/N=C/c4cc(Br)ccc4[O-])c3)oc2c(C)c1 ZINC000003068509 569439774 /nfs/dbraw/zinc/43/97/74/569439774.db2.gz KEKODGIRTHJELY-BRJLIKDPSA-N -1 3 435.321 6.639 40 30 IKEBHM N#Cc1c(=O)n(/N=C/c2c([O-])ccc3ccccc32)c(-c2ccccc2)cc1C(F)(F)F ZINC000003171907 569441202 /nfs/dbraw/zinc/44/12/02/569441202.db2.gz QKELUFKMTJNIIP-IPPBACCNSA-N -1 3 433.389 5.147 40 30 IKEBHM C/C(=N\c1ccc(Oc2ccc(/N=C(\C)c3ccccc3O)cc2)cc1)c1ccccc1[O-] ZINC000068603052 518471965 /nfs/dbraw/zinc/47/19/65/518471965.db2.gz VWZIISQABNBALW-CZYCKNNWSA-N -1 3 436.511 7.172 40 30 IKEBHM CCCCCCCCCCCCCC(=O)Oc1ccc(/C=N/c2cccc(C#N)c2)c([O-])c1 ZINC000068603665 519987772 /nfs/dbraw/zinc/98/77/72/519987772.db2.gz NBMTWXPJUFKPFV-JBASAIQMSA-N -1 3 448.607 7.621 40 30 IKEBHM C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2[O-])S/C1=N\c1ccccc1 ZINC000408864606 556457838 /nfs/dbraw/zinc/45/78/38/556457838.db2.gz XHPVTLQLVTWJSR-XSQQKSBCSA-N -1 3 426.969 6.228 40 30 IKEBHM [O-]c1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408934467 556527234 /nfs/dbraw/zinc/52/72/34/556527234.db2.gz AXZLGUIZJPHXLA-YTEYGYDXSA-N -1 3 445.360 6.732 40 30 IKEBHM COc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2[O-])cc1Br ZINC000016226585 556592674 /nfs/dbraw/zinc/59/26/74/556592674.db2.gz WBRMKKSXBIIVPR-ZMOGYAJESA-N -1 3 430.729 6.158 40 30 IKEBHM Cc1cc2nc(-c3cccc(/N=C/c4cc(Cc5ccccc5)ccc4[O-])c3C)oc2c(C)c1 ZINC000016268801 556596055 /nfs/dbraw/zinc/59/60/55/556596055.db2.gz WNLSUXPCQJNUOG-FDAWAROLSA-N -1 3 446.550 7.467 40 30 IKEBHM COc1cc(Br)cc(/C=N/c2cc(-c3nc4ncccc4o3)ccc2C)c1[O-] ZINC000016311756 556599828 /nfs/dbraw/zinc/59/98/28/556599828.db2.gz FYQFMYWIBRGARG-BHGWPJFGSA-N -1 3 438.281 5.426 40 30 IKEBHM O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2[O-])cc1)c1ccco1 ZINC000016450182 556609264 /nfs/dbraw/zinc/60/92/64/556609264.db2.gz RHJPQVWMKBNVFP-JVWAILMASA-N -1 3 430.891 6.232 40 30 IKEBHM O=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2[O-])c1)c1ccccc1 ZINC000016476835 556610642 /nfs/dbraw/zinc/61/06/42/556610642.db2.gz JIXBFTOXLIHFAW-RDRPBHBLSA-N -1 3 440.930 6.639 40 30 IKEBHM CCCCCOc1ccc(C(Cc2ccccc2)=NOC(=O)Nc2ccccc2)c([O-])c1 ZINC000016638560 556619499 /nfs/dbraw/zinc/61/94/99/556619499.db2.gz DAJJHIFEAMYVOE-ZZIIXHQDSA-N -1 3 432.520 6.157 40 30 IKEBHM C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000224564609 556636411 /nfs/dbraw/zinc/63/64/11/556636411.db2.gz KHSUQJNFWAKBBC-UHFFFAOYSA-N -1 3 438.574 5.326 40 30 IKEBHM COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)c1[O-] ZINC000000864789 556723624 /nfs/dbraw/zinc/72/36/24/556723624.db2.gz RTHBMMJZORYXOE-WYMPLXKRSA-N -1 3 437.293 6.031 40 30 IKEBHM O=C1CCCC2=C1C(c1cc(Cl)ccc1[O-])C1=C(CCCC1=O)N2CCc1ccccc1 ZINC000409038989 556749438 /nfs/dbraw/zinc/74/94/38/556749438.db2.gz QEUKARKTQUFWMW-UHFFFAOYSA-N -1 3 447.962 5.702 40 30 IKEBHM COc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1[O-] ZINC000409084948 556790787 /nfs/dbraw/zinc/79/07/87/556790787.db2.gz YNMTVEOYESMOAX-DKZNWEEVSA-N -1 3 447.398 5.998 40 30 IKEBHM Cc1cc(/C=N/c2ccc([O-])cc2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408773298 556848046 /nfs/dbraw/zinc/84/80/46/556848046.db2.gz UUIKYJYZXYDAJN-WSDLNYQXSA-N -1 3 430.289 5.463 40 30 IKEBHM CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c([O-])c(OCC)c2)C2=C1CCCC2=O ZINC000408927912 556893242 /nfs/dbraw/zinc/89/32/42/556893242.db2.gz YGTPTCGVIOVZAS-UHFFFAOYSA-N -1 3 429.944 5.268 40 30 IKEBHM COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2cc([N+](=O)[O-])ccc2Cl)ccc1[O-] ZINC000408979902 556908769 /nfs/dbraw/zinc/90/87/69/556908769.db2.gz DHVOCHWOODXSTO-WYMPLXKRSA-N -1 3 436.855 5.336 40 30 IKEBHM COc1cc(/C=N\c2ccccc2[O-])ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408540960 557033342 /nfs/dbraw/zinc/03/33/42/557033342.db2.gz ABIGGCMXYPHVAL-VEILYXNESA-N -1 3 444.531 5.357 40 30 IKEBHM COc1ccc(-c2oc(/N=C/c3cc(C)ccc3[O-])c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000409223730 557044691 /nfs/dbraw/zinc/04/46/91/557044691.db2.gz IINDPWPBKCVKBJ-MUFRIFMGSA-N -1 3 438.483 6.267 40 30 IKEBHM O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cc(Cl)ccc1[O-] ZINC000409278585 557045366 /nfs/dbraw/zinc/04/53/66/557045366.db2.gz GECAGYWEPDCBIC-UHFFFAOYSA-N -1 3 443.812 5.324 40 30 IKEBHM CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(Cl)c1[O-] ZINC000409249603 557080630 /nfs/dbraw/zinc/08/06/30/557080630.db2.gz UVBLUEGDZDKEET-WNEPPRNQSA-N -1 3 432.929 5.077 40 30 IKEBHM [O-]c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 ZINC000100462346 557113894 /nfs/dbraw/zinc/11/38/94/557113894.db2.gz QSMINCSEZJUBNF-AJBULDERSA-N -1 3 448.953 7.921 40 30 IKEBHM [O-]c1ccc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc1 ZINC000408718643 557132957 /nfs/dbraw/zinc/13/29/57/557132957.db2.gz NXRRQNGEFOKMOH-KDSGZEPYSA-N -1 3 444.578 7.020 40 30 IKEBHM [O-]c1ccc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1 ZINC000408718645 557132963 /nfs/dbraw/zinc/13/29/63/557132963.db2.gz NXRRQNGEFOKMOH-VHPZECMTSA-N -1 3 444.578 7.020 40 30 IKEBHM Cc1cc(N=C2NC(=O)/C(=C/c3cc(Cl)ccc3[O-])S2)cc(C)c1Br ZINC000408757014 557169404 /nfs/dbraw/zinc/16/94/04/557169404.db2.gz YYIURSZXNSZWEQ-NVNXTCNLSA-N -1 3 437.746 5.317 40 30 IKEBHM O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2[O-])cc1)c1cccc(Cl)c1 ZINC000038179860 557205709 /nfs/dbraw/zinc/20/57/09/557205709.db2.gz MNZWLMJFIRTDIZ-RDRPBHBLSA-N -1 3 440.930 6.639 40 30 IKEBHM CCCCCCCCCCC(=N\[O-])/C(=N/O)c1cc(C)ccc1OC(=O)c1ccccc1 ZINC000100928098 557278869 /nfs/dbraw/zinc/27/88/69/557278869.db2.gz CHEYMHAQGXUSCW-IVZAMVAPSA-N -1 3 438.568 6.754 40 30 IKEBHM CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1[O-] ZINC000104364967 557325827 /nfs/dbraw/zinc/32/58/27/557325827.db2.gz WNACIALNKLPCHY-NFFVHWSESA-N -1 3 447.733 7.452 40 30 IKEBHM CCOc1cccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000014271501 557332148 /nfs/dbraw/zinc/33/21/48/557332148.db2.gz WJQQYFKSQNZETR-OAHLLOKOSA-N -1 3 441.622 5.296 40 30 IKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2C1 ZINC000014273300 557332319 /nfs/dbraw/zinc/33/23/19/557332319.db2.gz NQKPBUZATPMHHV-OAHLLOKOSA-N -1 3 449.532 6.191 40 30 IKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc4ccccc4c3)sc2C1 ZINC000014271537 557430717 /nfs/dbraw/zinc/43/07/17/557430717.db2.gz RTJHLBXKOFPWHS-SFHVURJKSA-N -1 3 447.629 6.051 40 30 IKEBHM CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)cc(OC)c2[O-])c1 ZINC000016637023 557474891 /nfs/dbraw/zinc/47/48/91/557474891.db2.gz KQEPWHLCHKUWPH-UFFVCSGVSA-N -1 3 425.710 5.306 40 30 IKEBHM CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(OC)c4[O-])cc3)nc2c1 ZINC000017099282 557482381 /nfs/dbraw/zinc/48/23/81/557482381.db2.gz KVKIVHCJEDZULX-PJAVDKHJSA-N -1 3 434.923 7.127 40 30 IKEBHM [O-]c1ccc(Br)cc1/C=N/c1ccc(C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)cc1 ZINC000017838037 557495402 /nfs/dbraw/zinc/49/54/02/557495402.db2.gz SKBIBFMWLDMRFV-ANXDTISPSA-N -1 3 426.354 5.488 40 30 IKEBHM Cc1ccc(NC(=O)c2ccc(N=NCc3c([O-])ccc4ccccc43)c([N+](=O)[O-])c2)cc1 ZINC000020367811 557522567 /nfs/dbraw/zinc/52/25/67/557522567.db2.gz GOQMJMCVUSOQSX-CVKSISIWSA-N -1 3 440.459 5.460 40 30 IKEBHM [O-]c1ccccc1/C=N/c1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1 ZINC000059461267 557821336 /nfs/dbraw/zinc/82/13/36/557821336.db2.gz ZRDCHGXCFSEDPB-BHGWPJFGSA-N -1 3 445.396 7.352 40 30 IKEBHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cc(Br)cc(Cl)c1[O-] ZINC000096640213 557838471 /nfs/dbraw/zinc/83/84/71/557838471.db2.gz BQKVPNODWHEEJH-IOXNKQMXSA-N -1 3 438.587 5.181 40 30 IKEBHM CCCCc1ccc(CN2CCCC[C@@H]2c2csc([N-]c3cc(C#N)ccn3)n2)s1 ZINC000585294747 568632330 /nfs/dbraw/zinc/63/23/30/568632330.db2.gz JADLJFPTRLNCAD-OAQYLSRUSA-N -1 3 437.638 6.285 40 30 IKEBHM CCCCOc1cccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)c1 ZINC000017095590 569172619 /nfs/dbraw/zinc/17/26/19/569172619.db2.gz OIMGNMCWAPIQJI-CQSZACIVSA-N -1 3 427.595 5.050 40 30 IKEBHM CC(C)c1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000019630553 569323982 /nfs/dbraw/zinc/32/39/82/569323982.db2.gz GJFOYWNHYWJOJO-KRWDZBQOSA-N -1 3 439.650 6.021 40 30 IKEBHM COc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1[O-] ZINC000003050587 569439138 /nfs/dbraw/zinc/43/91/38/569439138.db2.gz VBLRYUGCPKCYIC-FSJBWODESA-N -1 3 439.334 6.191 40 30 IKEBHM N#Cc1cnc([N-]c2cccc([C@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)s1 ZINC000585294701 569583043 /nfs/dbraw/zinc/58/30/43/569583043.db2.gz UGBDLTHGKSERSU-JOCHJYFZSA-N -1 3 445.592 5.812 40 30 IKEBHM CCc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000066088144 523961828 /nfs/dbraw/zinc/96/18/28/523961828.db2.gz HNGKGWBBXQVTMR-XMMPIXPASA-N -1 3 443.499 5.049 40 30 IKEBHM CCc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000066088144 523961835 /nfs/dbraw/zinc/96/18/35/523961835.db2.gz HNGKGWBBXQVTMR-XMMPIXPASA-N -1 3 443.499 5.049 40 30 IKEBHM CC(=[NH+][N-]c1nnc(SCCC(=O)Nc2c(Cl)cccc2Cl)[n-]1)c1ccccc1 ZINC000009695147 556306674 /nfs/dbraw/zinc/30/66/74/556306674.db2.gz ONXCWNDVLMEGPY-WYMPLXKRSA-N -1 3 449.367 5.069 40 30 IKEBHM CC(=NNc1nnc(SCCC(=O)Nc2c(Cl)cccc2Cl)[n-]1)c1ccccc1 ZINC000009695147 556306678 /nfs/dbraw/zinc/30/66/78/556306678.db2.gz ONXCWNDVLMEGPY-WYMPLXKRSA-N -1 3 449.367 5.069 40 30 IKEBHM CCOc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc(Cl)c1[O-] ZINC000408906371 556492409 /nfs/dbraw/zinc/49/24/09/556492409.db2.gz IUUBZFUJZBYYQS-RVFNTIOESA-N -1 3 430.957 5.685 40 30 IKEBHM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc(Cl)c1[O-] ZINC000408914036 556499723 /nfs/dbraw/zinc/49/97/23/556499723.db2.gz SDVHYXKEBZLRIV-NKMCWBCSSA-N -1 3 444.984 6.155 40 30 IKEBHM C/C(=N\N1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1[O-] ZINC000015276979 556514627 /nfs/dbraw/zinc/51/46/27/556514627.db2.gz PSLBUIMSVOPXPB-QMPKWXHSSA-N -1 3 426.303 5.690 40 30 IKEBHM [O-]c1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408934466 556527221 /nfs/dbraw/zinc/52/72/21/556527221.db2.gz AXZLGUIZJPHXLA-VZQTZOBLSA-N -1 3 445.360 6.732 40 30 IKEBHM [O-]c1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408934465 556527252 /nfs/dbraw/zinc/52/72/52/556527252.db2.gz AXZLGUIZJPHXLA-QSKSHKASSA-N -1 3 445.360 6.732 40 30 IKEBHM Cc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1[O-] ZINC000032115314 556531488 /nfs/dbraw/zinc/53/14/88/556531488.db2.gz WBTACRFFCXCOAF-JQAMDZJQSA-N -1 3 433.241 6.844 40 30 IKEBHM COc1ccc(Br)c(/N=C\c2ccc3oc(-c4ccccc4F)nc3c2)c1[O-] ZINC000016215700 556591601 /nfs/dbraw/zinc/59/16/01/556591601.db2.gz ISDBIFXTCNASCH-MYKKPKGFSA-N -1 3 441.256 5.861 40 30 IKEBHM C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224564682 556636294 /nfs/dbraw/zinc/63/62/94/556636294.db2.gz IIXNZTWEMDJIES-UHFFFAOYSA-N -1 3 442.537 5.157 40 30 IKEBHM CCCN1C(=O)/C(=C/c2cc(Cl)c([O-])c(OC)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409076446 556779826 /nfs/dbraw/zinc/77/98/26/556779826.db2.gz AJNVEQOGYCEPHV-RVIYGNEXSA-N -1 3 437.348 5.722 40 30 IKEBHM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3[O-])c2C(=O)NCc2ccco2)C1 ZINC000409092688 556792770 /nfs/dbraw/zinc/79/27/70/556792770.db2.gz WCJBVSCNDMIHDD-MWQSPYHUSA-N -1 3 436.577 5.878 40 30 IKEBHM O=C1/C(=C/c2cc(Cl)ccc2[O-])S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408849060 556870393 /nfs/dbraw/zinc/87/03/93/556870393.db2.gz UEFIEHUQVGSZBQ-ORVWWNJKSA-N -1 3 430.932 6.121 40 30 IKEBHM C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Cl)ccc2[O-])S/C1=N\c1ccccc1 ZINC000408912700 556886523 /nfs/dbraw/zinc/88/65/23/556886523.db2.gz QZFXCHUKDNEPRS-AWBWHEFQSA-N -1 3 434.948 6.411 40 30 IKEBHM CC[C@H](C)N1C(=O)/C(=C\c2cc(Cl)c([O-])c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912649 556886547 /nfs/dbraw/zinc/88/65/47/556886547.db2.gz OIYLFMPADNFOMN-TWIAQIIMSA-N -1 3 430.957 5.765 40 30 IKEBHM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccc([O-])c3)c2C(=O)NCc2ccco2)C1 ZINC000409076895 556944068 /nfs/dbraw/zinc/94/40/68/556944068.db2.gz COBHTZGLJKQMOC-MWQSPYHUSA-N -1 3 436.577 5.878 40 30 IKEBHM CCCCCCCCOc1c(Cl)cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc1Cl ZINC000408539623 557033902 /nfs/dbraw/zinc/03/39/02/557033902.db2.gz IVMKKDPTVHNYGM-SFQUDFHCSA-N -1 3 443.396 5.839 40 30 IKEBHM COc1cc(/C=N/c2ccc([O-])cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543441 557034515 /nfs/dbraw/zinc/03/45/15/557034515.db2.gz RCLYETLEZOROMU-MTDXEUNCSA-N -1 3 444.531 5.357 40 30 IKEBHM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)ccc3[O-])cc21 ZINC000409278996 557045765 /nfs/dbraw/zinc/04/57/65/557045765.db2.gz HJDKWBKDTJYZGF-UHFFFAOYSA-N -1 3 445.862 5.060 40 30 IKEBHM CCOc1cc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)ccc1[O-] ZINC000409341781 557069295 /nfs/dbraw/zinc/06/92/95/557069295.db2.gz FOISEXCFOVFSMY-OCSSWDANSA-N -1 3 436.511 6.957 40 30 IKEBHM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)c1[O-] ZINC000409293090 557091778 /nfs/dbraw/zinc/09/17/78/557091778.db2.gz GZDZJCCFVLODPQ-UHFFFAOYSA-N -1 3 445.862 5.060 40 30 IKEBHM [O-]c1ccccc1/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000100456573 557113593 /nfs/dbraw/zinc/11/35/93/557113593.db2.gz PROUWCLBNVMEDQ-AJBULDERSA-N -1 3 448.953 7.921 40 30 IKEBHM [O-]c1ccc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1 ZINC000408718644 557132952 /nfs/dbraw/zinc/13/29/52/557132952.db2.gz NXRRQNGEFOKMOH-UXTBUNMHSA-N -1 3 444.578 7.020 40 30 IKEBHM CCc1ccc(-c2nc(/N=C/c3ccccc3[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408723133 557136717 /nfs/dbraw/zinc/13/67/17/557136717.db2.gz QOJFPZZFBOSSTG-MFKUBSTISA-N -1 3 429.501 6.404 40 30 IKEBHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@H]2c1ccccc1 ZINC000100421504 557260512 /nfs/dbraw/zinc/26/05/12/557260512.db2.gz FQNBGXGKYSKSJR-HYBUGGRVSA-N -1 3 433.511 5.536 40 30 IKEBHM O=C(/C=C/c1ccc([O-])cc1)C(C(=O)/C=C/c1ccc(O)cc1)=C1SCCCCS1 ZINC000101461081 557292796 /nfs/dbraw/zinc/29/27/96/557292796.db2.gz VYQAYQUBPWDQHR-FNCQTZNRSA-N -1 3 438.570 5.434 40 30 IKEBHM CCCCCCCCCCCCS(=O)(=O)[N-]c1ccccc1/C(=N/O)c1ccccc1 ZINC000103005680 557311788 /nfs/dbraw/zinc/31/17/88/557311788.db2.gz BMSHMTIZGLXLTA-OCEACIFDSA-N -1 3 444.641 6.576 40 30 IKEBHM CCCCCCCCCCCCNC(=S)N/N=C\c1cc(Br)ccc1[O-] ZINC000104380308 557326179 /nfs/dbraw/zinc/32/61/79/557326179.db2.gz KVWDSZNHQQQTSW-KQWNVCNZSA-N -1 3 442.467 5.874 40 30 IKEBHM N#Cc1c([N-]C(=S)NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 ZINC000014269504 557428747 /nfs/dbraw/zinc/42/87/47/557428747.db2.gz GCWAUSWQGHSQFB-UHFFFAOYSA-N -1 3 447.585 5.204 40 30 IKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc4ccccc43)sc2C1 ZINC000014271532 557430812 /nfs/dbraw/zinc/43/08/12/557430812.db2.gz NQCHOKSMFSDTND-MRXNPFEDSA-N -1 3 447.629 6.051 40 30 IKEBHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@H]2c1ccccc1 ZINC000015973379 557468412 /nfs/dbraw/zinc/46/84/12/557468412.db2.gz SVTAXIKJBLEKHE-HYBUGGRVSA-N -1 3 433.511 5.124 40 30 IKEBHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@@H]2c1ccccc1 ZINC000015973381 557468446 /nfs/dbraw/zinc/46/84/46/557468446.db2.gz SVTAXIKJBLEKHE-RDPSFJRHSA-N -1 3 433.511 5.124 40 30 IKEBHM CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(OC)c4[O-])cc3)nc2c1 ZINC000017099283 557482608 /nfs/dbraw/zinc/48/26/08/557482608.db2.gz KVKIVHCJEDZULX-FYDYWCEBSA-N -1 3 434.923 7.127 40 30 IKEBHM CCOc1cc(/C=C2\S/C(=N\c3ccc(CC)cc3)NC2=O)cc(Br)c1[O-] ZINC000033795447 557809954 /nfs/dbraw/zinc/80/99/54/557809954.db2.gz IZLHGUSAPDPEFD-BOPFTXTBSA-N -1 3 447.354 5.007 40 30 IKEBHM O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3[O-])nc2-c2ccc(Cl)cc2)cc1 ZINC000059463737 557821736 /nfs/dbraw/zinc/82/17/36/557821736.db2.gz WJLKLGMXNAGEFQ-ZMOGYAJESA-N -1 3 435.892 6.495 40 30 IKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000059475476 557824907 /nfs/dbraw/zinc/82/49/07/557824907.db2.gz FVYFRDUXBIQJLP-VYVUJPJFSA-N -1 3 445.334 6.594 40 30 IKEBHM C=C(C)[C@H](CC=C(C)C)Cc1c([O-])cc(O)c2c1O[C@H](c1ccc(O)cc1OC)CC2=O ZINC000014711612 563014788 /nfs/dbraw/zinc/01/47/88/563014788.db2.gz YLTPWCZXKJSORQ-GYCJOSAFSA-N -1 3 438.520 5.610 40 30 biogenic,in-vivo IKEBHM CC(C)Cc1ccc(CN2CCCC[C@@H]2c2csc([N-]c3cc(C#N)ccn3)n2)s1 ZINC000585294051 568632726 /nfs/dbraw/zinc/63/27/26/568632726.db2.gz DITPBXTWNOTEAK-OAQYLSRUSA-N -1 3 437.638 6.141 40 30 IKEBHM Cn1cc(CN2CCCC[C@@H]2c2csc([N-]c3cc(C#N)ccn3)n2)c2ccccc21 ZINC000585295147 568632928 /nfs/dbraw/zinc/63/29/28/568632928.db2.gz NCSGTYHJDUWFQK-JOCHJYFZSA-N -1 3 428.565 5.372 40 30 IKEBHM COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1[O-] ZINC000031854521 568937588 /nfs/dbraw/zinc/93/75/88/568937588.db2.gz JXWCVHWRPIREDC-ZBKNUEDVSA-N -1 3 438.734 5.386 40 30 IKEBHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2C1 ZINC000017097407 569172367 /nfs/dbraw/zinc/17/23/67/569172367.db2.gz QRRZFVTZZTZSPU-NSHDSACASA-N -1 3 431.344 6.564 40 30 IKEBHM CCCCOc1cccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)c1 ZINC000017095589 569172490 /nfs/dbraw/zinc/17/24/90/569172490.db2.gz OIMGNMCWAPIQJI-AWEZNQCLSA-N -1 3 427.595 5.050 40 30 IKEBHM Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1C ZINC000017094587 569172592 /nfs/dbraw/zinc/17/25/92/569172592.db2.gz CUMQCLRYQHMBMI-MRXNPFEDSA-N -1 3 425.623 5.514 40 30 IKEBHM Cc1sc([N-]C(=S)NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c(C#N)c1C ZINC000017096723 569172750 /nfs/dbraw/zinc/17/27/50/569172750.db2.gz LYGIHMSPFALFLM-UHFFFAOYSA-N -1 3 429.954 5.585 40 30 IKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cc4ccccc4o3)sc2C1 ZINC000017101605 569173334 /nfs/dbraw/zinc/17/33/34/569173334.db2.gz PADFLBXZWFDJNL-AWEZNQCLSA-N -1 3 437.590 5.644 40 30 IKEBHM COc1cc2ccccc2cc1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CC[C@H](C)C2 ZINC000017099668 569173455 /nfs/dbraw/zinc/17/34/55/569173455.db2.gz RYXYNCWWCQBGIR-ZDUSSCGKSA-N -1 3 435.574 5.033 40 30 IKEBHM C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 ZINC000017097667 569173684 /nfs/dbraw/zinc/17/36/84/569173684.db2.gz SIFVSQONMQLNAV-HNNXBMFYSA-N -1 3 431.586 5.538 40 30 IKEBHM CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(OC)c4[O-])c3)nc2c1 ZINC000038180018 569262082 /nfs/dbraw/zinc/26/20/82/569262082.db2.gz BTUMZLYQKCALSF-PJAVDKHJSA-N -1 3 434.923 7.127 40 30 IKEBHM Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(C)c4[O-])ccc3o2)cc1C ZINC000038179883 569262141 /nfs/dbraw/zinc/26/21/41/569262141.db2.gz NNYJMQWHRBMTNM-BRJLIKDPSA-N -1 3 435.321 6.639 40 30 IKEBHM CCOc1cc(Cl)cc(/C=N/c2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1[O-] ZINC000038180032 569262147 /nfs/dbraw/zinc/26/21/47/569262147.db2.gz NVOJACLYBDWMCH-NEZLHVBRSA-N -1 3 448.950 7.517 40 30 IKEBHM Cc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1[O-] ZINC000038179857 569262172 /nfs/dbraw/zinc/26/21/72/569262172.db2.gz CPZQXVDWVHVSDM-WYMPLXKRSA-N -1 3 443.728 6.119 40 30 IKEBHM COc1ccc(Br)c(C=Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1[O-] ZINC000254619781 569273899 /nfs/dbraw/zinc/27/38/99/569273899.db2.gz BJONPJXGOYZKPA-UHFFFAOYSA-N -1 3 437.293 6.031 40 30 IKEBHM Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Cl ZINC000008831561 569290920 /nfs/dbraw/zinc/29/09/20/569290920.db2.gz FOZAWMZPVJQGBW-AWEZNQCLSA-N -1 3 446.041 5.859 40 30 IKEBHM C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc4c(Cl)cccc34)sc2C1 ZINC000019630966 569324199 /nfs/dbraw/zinc/32/41/99/569324199.db2.gz KHCIQSOSPRVACU-GFCCVEGCSA-N -1 3 439.993 5.678 40 30 IKEBHM CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4[O-])ccc3o2)cc1 ZINC000003066518 569439672 /nfs/dbraw/zinc/43/96/72/569439672.db2.gz RLOBGLPEMONHQD-VULFUBBASA-N -1 3 449.348 7.011 40 30 IKEBHM Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1ccc(Br)cc1[O-] ZINC000003208170 569441683 /nfs/dbraw/zinc/44/16/83/569441683.db2.gz KHOUUWSCWXZITL-BHGWPJFGSA-N -1 3 441.712 6.675 40 30 IKEBHM C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccccc3C)c3cc(Cl)c([O-])cc3O2)N1 ZINC000012715365 519076476 /nfs/dbraw/zinc/07/64/76/519076476.db2.gz DWZPVAPVXDLQKE-MHECFPHRSA-N -1 3 443.012 6.012 40 30 IKEBHM CC1=CC(NNc2ccccc2)=C(C([O-])(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1 ZINC000005065304 556030917 /nfs/dbraw/zinc/03/09/17/556030917.db2.gz PCAIZXFSAQUOMS-JUCPORTRSA-N -1 3 427.269 5.841 40 30 IKEBHM COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc(Cl)c1[O-] ZINC000408858942 556452378 /nfs/dbraw/zinc/45/23/78/556452378.db2.gz UUJNQOYYOSDLCW-MXAYSNPKSA-N -1 3 440.952 5.997 40 30 IKEBHM CCCN1C(=O)/C(=C\c2cc(Br)c([O-])c(OC)c2)S/C1=N\c1ccccc1 ZINC000408905723 556493072 /nfs/dbraw/zinc/49/30/72/556493072.db2.gz CXOFTVFEXQHORM-JRLDGGGSSA-N -1 3 447.354 5.177 40 30 IKEBHM CCc1ccccc1/N=C1\S/C(=C/c2cc(Cl)ccc2[O-])C(=O)N1C1CCCCC1 ZINC000408915774 556500794 /nfs/dbraw/zinc/50/07/94/556500794.db2.gz ZYKLNTLPHRXCMK-GCXIQGEKSA-N -1 3 440.996 6.545 40 30 IKEBHM CCN1C(=O)/C(=C/c2cc(Cl)ccc2[O-])S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408930514 556523559 /nfs/dbraw/zinc/52/35/59/556523559.db2.gz YAMCUAMZGRVWIX-VLYZUMCXSA-N -1 3 441.984 5.660 40 30 IKEBHM CCn1c2cc(Br)c(Br)cc2nc1/N=C/c1ccc(C)cc1[O-] ZINC000016162788 556586710 /nfs/dbraw/zinc/58/67/10/556586710.db2.gz POLIJOPXLYOJFM-AWQFTUOYSA-N -1 3 437.135 5.346 40 30 IKEBHM COc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3ccccc3)c(C)c2)c1[O-] ZINC000016282668 556596803 /nfs/dbraw/zinc/59/68/03/556596803.db2.gz OWVIPQTUHDJBCK-ZMOGYAJESA-N -1 3 439.309 5.475 40 30 IKEBHM CCCCCCOc1ccc(C(=NOC(=O)Nc2ccccc2)c2ccccc2)c([O-])c1 ZINC000016638257 556619267 /nfs/dbraw/zinc/61/92/67/556619267.db2.gz IULLHUVNUOPKRZ-AZPGRJICSA-N -1 3 432.520 6.352 40 30 IKEBHM Cc1cc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)c(Cl)c(Cl)c1[O-] ZINC000016807747 556644463 /nfs/dbraw/zinc/64/44/63/556644463.db2.gz BJBRFEJGRACDEL-UHFFFAOYSA-N -1 3 435.332 5.255 40 30 IKEBHM N#CCOc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc1Br ZINC000409000320 556710344 /nfs/dbraw/zinc/71/03/44/556710344.db2.gz VJSCJULFELQKEY-UHFFFAOYSA-N -1 3 444.354 5.388 40 30 IKEBHM [O-]c1ccc(Br)cc1/C=N/c1c(-c2ccc3ccccc3c2)nc2ccccn21 ZINC000013712062 556715218 /nfs/dbraw/zinc/71/52/18/556715218.db2.gz SZIVGTACOXHNSB-CVKSISIWSA-N -1 3 442.316 6.373 40 30 IKEBHM COc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)c1[O-] ZINC000000859577 556723097 /nfs/dbraw/zinc/72/30/97/556723097.db2.gz BNEMAUVSJMKIMZ-WYMPLXKRSA-N -1 3 437.293 6.031 40 30 IKEBHM O=C1CCCC2=C1C(c1cc(Cl)ccc1[O-])C1=C(CCCC1=O)N2Cc1ccccc1 ZINC000409034655 556743685 /nfs/dbraw/zinc/74/36/85/556743685.db2.gz ICFLVIXLYFKFJX-UHFFFAOYSA-N -1 3 433.935 5.659 40 30 IKEBHM [O-]c1ccccc1-c1cc(N=NCc2ccc(Br)cc2)nc(-c2ccccc2)n1 ZINC000008964374 556851995 /nfs/dbraw/zinc/85/19/95/556851995.db2.gz QITJUXKXULGGRW-MFKUBSTISA-N -1 3 445.320 5.725 40 30 IKEBHM Cc1cc(/C=N\c2ccccc2[O-])c(C)n1-c1ccc(I)c(C)c1 ZINC000408783708 556855313 /nfs/dbraw/zinc/85/53/13/556855313.db2.gz QICBCYPMFVGEKP-UUYOSTAYSA-N -1 3 430.289 5.463 40 30 IKEBHM C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2[O-])S/C1=N\c1ccccc1 ZINC000408864605 556873010 /nfs/dbraw/zinc/87/30/10/556873010.db2.gz XHPVTLQLVTWJSR-VPQZLOJSSA-N -1 3 426.969 6.228 40 30 IKEBHM CCN1C(=O)/C(=C\c2cc(Br)c([O-])c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408907693 556885023 /nfs/dbraw/zinc/88/50/23/556885023.db2.gz OVAAEWHQEBMVDE-SLHJDRLVSA-N -1 3 447.354 5.096 40 30 IKEBHM CC[C@@H](C)N1C(=O)/C(=C\c2cc(Cl)c([O-])c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912652 556886602 /nfs/dbraw/zinc/88/66/02/556886602.db2.gz OIYLFMPADNFOMN-VJMWJZBHSA-N -1 3 430.957 5.765 40 30 IKEBHM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc(Cl)c1[O-] ZINC000408913419 556889184 /nfs/dbraw/zinc/88/91/84/556889184.db2.gz QSQYHTSAFSXQFH-GYOQDEGTSA-N -1 3 444.984 6.013 40 30 IKEBHM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc(Cl)c1[O-] ZINC000408915375 556890344 /nfs/dbraw/zinc/89/03/44/556890344.db2.gz XWWNYPFUDNYPBP-MSBDOUPJSA-N -1 3 430.957 5.623 40 30 IKEBHM CC[C@H](C)N1C(=O)/C(=C\c2cc(Br)ccc2[O-])S/C1=N\c1ccc(C)cc1 ZINC000408915595 556890362 /nfs/dbraw/zinc/89/03/62/556890362.db2.gz YVFDDIPQSQAKAO-COBJSXJPSA-N -1 3 445.382 5.866 40 30 IKEBHM C=CCc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1[O-] ZINC000408993228 556912697 /nfs/dbraw/zinc/91/26/97/556912697.db2.gz CWVCUIXXXFPKBO-OGLMXYFKSA-N -1 3 430.573 5.742 40 30 IKEBHM COc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c([O-])c1 ZINC000019894550 556940302 /nfs/dbraw/zinc/94/03/02/556940302.db2.gz QTJLNZVLQUEMBG-AFUMVMLFSA-N -1 3 445.500 6.159 40 30 IKEBHM CCCCCCCCOc1c(Cl)cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc1OC ZINC000408540719 557033348 /nfs/dbraw/zinc/03/33/48/557033348.db2.gz VKEHLHCLSDMMSB-QGOAFFKASA-N -1 3 438.977 5.194 40 30 IKEBHM CCOc1cc(COc2c(Cl)cc(/C=N\[O-])cc2OC)ccc1OCc1ccccc1 ZINC000408540016 557033920 /nfs/dbraw/zinc/03/39/20/557033920.db2.gz LTGSYMIWCUNLQX-WGARJPEWSA-N -1 3 441.911 5.713 40 30 IKEBHM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1[O-] ZINC000409276816 557044646 /nfs/dbraw/zinc/04/46/46/557044646.db2.gz WSPRUMGYYKEDOK-UHFFFAOYSA-N -1 3 445.862 5.060 40 30 IKEBHM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2[O-])cc1C(C)C ZINC000409295936 557053125 /nfs/dbraw/zinc/05/31/25/557053125.db2.gz PNTRUWNOSGSRGJ-UHFFFAOYSA-N -1 3 441.531 5.482 40 30 IKEBHM [O-]/N=C(/CCC/C(=N\O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000100565654 557115008 /nfs/dbraw/zinc/11/50/08/557115008.db2.gz DVJGYTAHCFTURG-ARHRGINZSA-N -1 3 440.135 5.439 40 30 IKEBHM [O-]/N=C(\CCC/C(=N/O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000100565654 557115011 /nfs/dbraw/zinc/11/50/11/557115011.db2.gz DVJGYTAHCFTURG-ARHRGINZSA-N -1 3 440.135 5.439 40 30 IKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2C1 ZINC000014273269 557332136 /nfs/dbraw/zinc/33/21/36/557332136.db2.gz DRIRRCKQTROLNF-AWEZNQCLSA-N -1 3 449.532 6.191 40 30 IKEBHM Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(Cl)c1 ZINC000014271484 557332418 /nfs/dbraw/zinc/33/24/18/557332418.db2.gz BMOGXRCRGOJKIF-ZDUSSCGKSA-N -1 3 446.041 5.859 40 30 IKEBHM COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc(OC)c1[O-] ZINC000059245896 557818977 /nfs/dbraw/zinc/81/89/77/557818977.db2.gz BJMBFNSPCBHAQM-AFUMVMLFSA-N -1 3 436.533 5.353 40 30 IKEBHM Cc1ccc(-c2nc(/N=C/c3ccccc3[O-])sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463799 557821778 /nfs/dbraw/zinc/82/17/78/557821778.db2.gz ZZZMPPKOFYQIDN-AFUMVMLFSA-N -1 3 429.501 6.458 40 30 IKEBHM Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000001840480 568916291 /nfs/dbraw/zinc/91/62/91/568916291.db2.gz SQCRRVCVKFHNGC-OAHLLOKOSA-N -1 3 425.623 5.514 40 30 IKEBHM CCc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000017094589 569172512 /nfs/dbraw/zinc/17/25/12/569172512.db2.gz VAEBNLXOLHJRLA-MRXNPFEDSA-N -1 3 425.623 5.460 40 30 IKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc(Cl)c3)sc2C1 ZINC000017097779 569173338 /nfs/dbraw/zinc/17/33/38/569173338.db2.gz JMFJSCDMCNUZKB-ZDUSSCGKSA-N -1 3 432.014 5.551 40 30 IKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cc4ccccc4o3)sc2C1 ZINC000017101604 569173940 /nfs/dbraw/zinc/17/39/40/569173940.db2.gz PADFLBXZWFDJNL-CQSZACIVSA-N -1 3 437.590 5.644 40 30 IKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc(C23C[C@@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1 ZINC000027468905 569217556 /nfs/dbraw/zinc/21/75/56/569217556.db2.gz QDRKFOPNKWCRGX-TUKNDEIHSA-N -1 3 442.002 7.586 40 30 IKEBHM COc1cc(Cl)cc(/C=N/c2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1[O-] ZINC000038162641 569262087 /nfs/dbraw/zinc/26/20/87/569262087.db2.gz FUWIZIQEFATNDU-OPEKNORGSA-N -1 3 441.270 5.259 40 30 IKEBHM C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)sc2C1 ZINC000057313470 569284393 /nfs/dbraw/zinc/28/43/93/569284393.db2.gz XJHHLEGAINYBIS-SAAWKEMMSA-N -1 3 447.585 5.531 40 30 IKEBHM C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)sc2C1 ZINC000057313472 569284435 /nfs/dbraw/zinc/28/44/35/569284435.db2.gz XJHHLEGAINYBIS-RZXPCSSPSA-N -1 3 447.585 5.531 40 30 IKEBHM COc1c(C)cccc1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000008831586 569290924 /nfs/dbraw/zinc/29/09/24/569290924.db2.gz BNINFUDQKOGOSA-CQSZACIVSA-N -1 3 441.622 5.215 40 30 IKEBHM N#Cc1ccccc1[N-]C(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000009064745 569293381 /nfs/dbraw/zinc/29/33/81/569293381.db2.gz PLWAKTNJBLEVKN-JXMROGBWSA-N -1 3 442.327 5.651 40 30 IKEBHM CC(C)c1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000019630557 569324050 /nfs/dbraw/zinc/32/40/50/569324050.db2.gz GJFOYWNHYWJOJO-QGZVFWFLSA-N -1 3 439.650 6.021 40 30 IKEBHM [O-]c1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000003024718 569436243 /nfs/dbraw/zinc/43/62/43/569436243.db2.gz KLSXAZPKSHHTJO-FOKLQQMPSA-N -1 3 427.685 6.367 40 30 IKEBHM Cc1cccc2oc(-c3ccc(C)c(/N=C/c4c([O-])ccc5c4cccc5[N+](=O)[O-])c3)nc21 ZINC000003044385 569438586 /nfs/dbraw/zinc/43/85/86/569438586.db2.gz CXGPYCOSRNAIBI-MZJWZYIUSA-N -1 3 437.455 6.629 40 30 IKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000003059656 569439464 /nfs/dbraw/zinc/43/94/64/569439464.db2.gz LONARJDURUBTEJ-FOKLQQMPSA-N -1 3 427.685 6.367 40 30 IKEBHM CCOC(=O)c1ccc(NC(=O)c2ccc(/N=C/c3c([O-])ccc4ccccc43)cc2)cc1 ZINC000003146899 569440921 /nfs/dbraw/zinc/44/09/21/569440921.db2.gz MDYXCDXEBPOVKY-OGLMXYFKSA-N -1 3 438.483 5.725 40 30 IKEBHM N#Cc1c2c(sc1[N-]C(=S)NC(=O)C=Cc1ccc(-c3ccccc3)o1)CCCC2 ZINC000059294164 569460870 /nfs/dbraw/zinc/46/08/70/569460870.db2.gz KCHUWLYSELXPTJ-ACCUITESSA-N -1 3 433.558 5.285 40 30 IKEBHM