smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CC[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1ccccc1 ZINC000322717778 970923293 /nfs/dbraw/zinc/92/32/93/970923293.db2.gz AEOWIYILDLBYOH-CQSZACIVSA-N -2 1 378.222 3.491 20 0 GGADML Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])ccc1C#N ZINC000324038708 971077002 /nfs/dbraw/zinc/07/70/02/971077002.db2.gz DELMDXPSCOPXMQ-UHFFFAOYSA-N -2 1 395.234 3.128 20 0 GGADML COc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1Cl ZINC000326869176 971337915 /nfs/dbraw/zinc/33/79/15/971337915.db2.gz WZZIIBQIEBTUHU-UHFFFAOYSA-N -2 1 381.837 3.266 20 0 GGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl ZINC000326992070 971354493 /nfs/dbraw/zinc/35/44/93/971354493.db2.gz UJJKBORWMLMVDJ-UHFFFAOYSA-N -2 1 391.188 3.401 20 0 GGADML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000327181436 971375011 /nfs/dbraw/zinc/37/50/11/971375011.db2.gz 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O=C([O-])c1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1 ZINC001595241890 949466522 /nfs/dbraw/zinc/46/65/22/949466522.db2.gz LTRFJKJJJWTFDS-UHFFFAOYSA-N -2 1 382.416 3.405 20 0 GGADML O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)CO1 ZINC001595007116 951216441 /nfs/dbraw/zinc/21/64/41/951216441.db2.gz YRAOWIIEJIOHFE-CBAPKCEASA-N -2 1 392.633 3.017 20 0 GGADML O=C([O-])CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001595060517 951515738 /nfs/dbraw/zinc/51/57/38/951515738.db2.gz XAWZLPSFDZBVEM-UHFFFAOYSA-N -2 1 397.214 3.156 20 0 GGADML O=C([O-])c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000486197814 953531897 /nfs/dbraw/zinc/53/18/97/953531897.db2.gz SLYNENMWXYQRRZ-UHFFFAOYSA-N -2 1 396.424 3.438 20 0 GGADML Cc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000514604788 953536275 /nfs/dbraw/zinc/53/62/75/953536275.db2.gz HFAFAWOUQGWUAL-KRWDZBQOSA-N -2 1 390.461 3.091 20 0 GGADML Cc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000514604795 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Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC000031535222 957168395 /nfs/dbraw/zinc/16/83/95/957168395.db2.gz LVIBDBBSNJWKKE-UHFFFAOYSA-N -2 1 385.445 3.297 20 0 GGADML O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1 ZINC000032595397 957177674 /nfs/dbraw/zinc/17/76/74/957177674.db2.gz VEBKDKIPCXSRQF-UHFFFAOYSA-N -2 1 377.809 3.025 20 0 GGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)s1 ZINC000038058543 957352280 /nfs/dbraw/zinc/35/22/80/957352280.db2.gz OIDGJNSWYDMVGA-UHFFFAOYSA-N -2 1 380.216 3.149 20 0 GGADML O=C([O-])c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(F)cc1F ZINC000047317877 957455056 /nfs/dbraw/zinc/45/50/56/957455056.db2.gz DBHHHSJGDMTLBF-UHFFFAOYSA-N -2 1 392.723 3.025 20 0 GGADML O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000058646158 957558672 /nfs/dbraw/zinc/55/86/72/957558672.db2.gz MJKQDEDUGSJBQD-UHFFFAOYSA-N -2 1 395.392 3.445 20 0 GGADML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000060800298 957571072 /nfs/dbraw/zinc/57/10/72/957571072.db2.gz GLLKFZZZKUSTGS-UHFFFAOYSA-N -2 1 388.760 3.195 20 0 GGADML CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000063181478 957636945 /nfs/dbraw/zinc/63/69/45/957636945.db2.gz NFYUFZDZQHXXKL-UHFFFAOYSA-N -2 1 392.433 3.390 20 0 GGADML CN(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cc1 ZINC000390743051 972302172 /nfs/dbraw/zinc/30/21/72/972302172.db2.gz SMQAWDISDYBESF-UHFFFAOYSA-N -2 1 399.266 3.014 20 0 GGADML Cc1ccc(NC(=O)[C@@H](C)C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001594369435 958532015 /nfs/dbraw/zinc/53/20/15/958532015.db2.gz QPKWRJQHMKIYIJ-LLVKDONJSA-N -2 1 396.852 3.108 20 0 GGADML Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc([C@@H](C)C(=O)[O-])no3)c2)cc1 ZINC001594373144 958559696 /nfs/dbraw/zinc/55/96/96/958559696.db2.gz DSRBNWGBSXAULI-GFCCVEGCSA-N -2 1 387.417 3.034 20 0 GGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)s1 ZINC000228032876 959980868 /nfs/dbraw/zinc/98/08/68/959980868.db2.gz BJDCFACBSFESDD-UHFFFAOYSA-N -2 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962935694 /nfs/dbraw/zinc/93/56/94/962935694.db2.gz WMGXQYKZBYBBNV-UHFFFAOYSA-N -2 1 375.406 3.047 20 0 GGADML O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000314990678 963839425 /nfs/dbraw/zinc/83/94/25/963839425.db2.gz ZGIJUJLSYSNDGV-UHFFFAOYSA-N -2 1 392.177 3.226 20 0 GGADML Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Br)cc1C(=O)[O-] ZINC000315022579 963845687 /nfs/dbraw/zinc/84/56/87/963845687.db2.gz LRQNKCYPFFSGHU-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML CN(CC(=O)[O-])C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000737989374 969138745 /nfs/dbraw/zinc/13/87/45/969138745.db2.gz JJDUUSLHBUXRDC-UHFFFAOYSA-N -2 1 397.214 3.108 20 0 GGADML O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000320944940 970731941 /nfs/dbraw/zinc/73/19/41/970731941.db2.gz ZKCKDFSFXWAAHH-UHFFFAOYSA-N -2 1 376.217 3.258 20 0 GGADML Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000410418406 973929366 /nfs/dbraw/zinc/92/93/66/973929366.db2.gz NXLPPFCXMIJILD-UHFFFAOYSA-N -2 1 385.445 3.203 20 0 GGADML O=C([O-])c1ccc(NC(=O)c2c([O-])cnc3c(Br)cccc32)nc1 ZINC001606500321 973985572 /nfs/dbraw/zinc/98/55/72/973985572.db2.gz BETUEGNYNMFAFN-UHFFFAOYSA-N -2 1 388.177 3.048 20 0 GGADML CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000427109156 974050267 /nfs/dbraw/zinc/05/02/67/974050267.db2.gz PYRGPOTZICEAKC-UHFFFAOYSA-N -2 1 397.836 3.324 20 0 GGADML COc1cc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)ccc1C(=O)[O-] ZINC000432782412 974096390 /nfs/dbraw/zinc/09/63/90/974096390.db2.gz XJTLAGQTAOQVFL-SECBINFHSA-N -2 1 397.836 3.171 20 0 GGADML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000433525174 974096686 /nfs/dbraw/zinc/09/66/86/974096686.db2.gz NQPJSNIHTIBBLK-UHFFFAOYSA-N -2 1 387.373 3.223 20 0 GGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1Cl ZINC000438795225 974104021 /nfs/dbraw/zinc/10/40/21/974104021.db2.gz JYKRNVCYIKVLAM-UHFFFAOYSA-N -2 1 394.836 3.188 20 0 GGADML CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000471986304 974198256 /nfs/dbraw/zinc/19/82/56/974198256.db2.gz WSLSGVUWLHMNRF-UHFFFAOYSA-N -2 1 376.434 3.016 20 0 GGADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1-c1cnn(C)c1 ZINC000478712235 974207246 /nfs/dbraw/zinc/20/72/46/974207246.db2.gz WOURJZMHMOGOMO-UHFFFAOYSA-N -2 1 389.408 3.034 20 0 GGADML CCc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)c(C(=O)[O-])c1 ZINC000481965193 974219655 /nfs/dbraw/zinc/21/96/55/974219655.db2.gz ULOGNRCNXZHCPW-UHFFFAOYSA-N -2 1 396.852 3.360 20 0 GGADML COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc(OC)c1C(C)C ZINC000484119671 974220469 /nfs/dbraw/zinc/22/04/69/974220469.db2.gz UTHQCFKMEZJBSF-UHFFFAOYSA-N -2 1 397.424 3.465 20 0 GGADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c1 ZINC000485303557 974225735 /nfs/dbraw/zinc/22/57/35/974225735.db2.gz XXOCHRXDOZHGGZ-UHFFFAOYSA-N -2 1 392.330 3.299 20 0 GGADML CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C ZINC000485297677 974225826 /nfs/dbraw/zinc/22/58/26/974225826.db2.gz LFOXBAHVEHLTRW-UHFFFAOYSA-N 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CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1F ZINC000833504818 605330532 /nfs/dbraw/zinc/33/05/32/605330532.db2.gz BBALJUANBMEDNL-UHFFFAOYSA-N -2 1 389.351 3.390 20 0 GGADML COc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc(OC)c1C(C)C ZINC000778566583 605419743 /nfs/dbraw/zinc/41/97/43/605419743.db2.gz MESVECVYLNVQGT-UHFFFAOYSA-N -2 1 397.424 3.465 20 0 GGADML Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1C(=O)[O-] ZINC000833750865 605586542 /nfs/dbraw/zinc/58/65/42/605586542.db2.gz DOSDYIUDSMRWET-UHFFFAOYSA-N -2 1 399.350 3.389 20 0 GGADML CC(C)COc1ccc(S(=O)(=O)[N-]c2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC000833490435 605783459 /nfs/dbraw/zinc/78/34/59/605783459.db2.gz IDVPWUDWFLACAS-UHFFFAOYSA-N -2 1 389.433 3.097 20 0 GGADML COc1ccc(S(=O)(=O)[N-]c2ccc3sc(C)nc3c2)cc1C(=O)[O-] ZINC000781117247 605783635 /nfs/dbraw/zinc/78/36/35/605783635.db2.gz NSZCPMNBAVBUIE-UHFFFAOYSA-N -2 1 378.431 3.112 20 0 GGADML CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)ccc1F ZINC000055581361 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O=S(=O)(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000103059385 1424454772 /nfs/dbraw/zinc/45/47/72/1424454772.db2.gz CIIOOODJMCFXCA-UHFFFAOYSA-N -2 1 377.429 3.335 20 0 GGADML O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000103059385 1424454773 /nfs/dbraw/zinc/45/47/73/1424454773.db2.gz CIIOOODJMCFXCA-UHFFFAOYSA-N -2 1 377.429 3.335 20 0 GGADML O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000103059385 1424454777 /nfs/dbraw/zinc/45/47/77/1424454777.db2.gz CIIOOODJMCFXCA-UHFFFAOYSA-N -2 1 377.429 3.335 20 0 GGADML O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000160257417 1424590404 /nfs/dbraw/zinc/59/04/04/1424590404.db2.gz KRTVVBHIBUCNLZ-UHFFFAOYSA-N -2 1 383.706 3.395 20 0 GGADML Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000822152168 1425034130 /nfs/dbraw/zinc/03/41/30/1425034130.db2.gz GLZHOQCZVHHIFU-UHFFFAOYSA-N -2 1 397.382 3.081 20 0 GGADML Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000822152168 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MCLQXQBGUAYBCM-UHFFFAOYSA-N -2 1 393.856 3.108 20 0 GGADML O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000737956070 1425570577 /nfs/dbraw/zinc/57/05/77/1425570577.db2.gz UEARMFIQVPHUQN-UHFFFAOYSA-N -2 1 397.851 3.220 20 0 GGADML CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3C)ccc21 ZINC000736502924 1425688214 /nfs/dbraw/zinc/68/82/14/1425688214.db2.gz QRSBFUZVTRZXPF-UHFFFAOYSA-N -2 1 396.476 3.341 20 0 GGADML CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3C)ccc21 ZINC000736502924 1425688218 /nfs/dbraw/zinc/68/82/18/1425688218.db2.gz QRSBFUZVTRZXPF-UHFFFAOYSA-N -2 1 396.476 3.341 20 0 GGADML O=C([N-]c1nc2ccsc2s1)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738211267 1425806100 /nfs/dbraw/zinc/80/61/00/1425806100.db2.gz MJXVPHXMGGPULZ-ZDUSSCGKSA-N -2 1 397.489 3.145 20 0 GGADML O=C([N-]c1nc2ccsc2s1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738211267 1425806106 /nfs/dbraw/zinc/80/61/06/1425806106.db2.gz MJXVPHXMGGPULZ-ZDUSSCGKSA-N -2 1 397.489 3.145 20 0 GGADML Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000737301657 1426141122 /nfs/dbraw/zinc/14/11/22/1426141122.db2.gz PWQRCXBWTIKFFY-UHFFFAOYSA-N -2 1 398.473 3.099 20 0 GGADML Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000737301657 1426141125 /nfs/dbraw/zinc/14/11/25/1426141125.db2.gz PWQRCXBWTIKFFY-UHFFFAOYSA-N -2 1 398.473 3.099 20 0 GGADML Cc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000826278724 1426231338 /nfs/dbraw/zinc/23/13/38/1426231338.db2.gz PNYJNIQTXNMKNC-UHFFFAOYSA-N -2 1 377.495 3.335 20 0 GGADML CCCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c(C)c1 ZINC000825341448 1426429071 /nfs/dbraw/zinc/42/90/71/1426429071.db2.gz DNDMWQIWASUOJZ-UHFFFAOYSA-N -2 1 387.465 3.073 20 0 GGADML CCCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c(C)c1 ZINC000825341448 1426429075 /nfs/dbraw/zinc/42/90/75/1426429075.db2.gz DNDMWQIWASUOJZ-UHFFFAOYSA-N -2 1 387.465 3.073 20 0 GGADML O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]c1cc(-c2ccccc2F)no1 ZINC000737853825 1426510657 /nfs/dbraw/zinc/51/06/57/1426510657.db2.gz OAWKMGZKWFLTCY-UHFFFAOYSA-N -2 1 378.367 3.232 20 0 GGADML O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]c1cc(-c2ccccc2F)no1 ZINC000737853825 1426510663 /nfs/dbraw/zinc/51/06/63/1426510663.db2.gz OAWKMGZKWFLTCY-UHFFFAOYSA-N -2 1 378.367 3.232 20 0 GGADML Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Nc1ccccc1CC(F)(F)F ZINC000737226055 1426599017 /nfs/dbraw/zinc/59/90/17/1426599017.db2.gz ZUBXLYCSCOROTP-UHFFFAOYSA-N -2 1 397.382 3.081 20 0 GGADML Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000737226055 1426599019 /nfs/dbraw/zinc/59/90/19/1426599019.db2.gz ZUBXLYCSCOROTP-UHFFFAOYSA-N -2 1 397.382 3.081 20 0 GGADML Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000737226055 1426599020 /nfs/dbraw/zinc/59/90/20/1426599020.db2.gz ZUBXLYCSCOROTP-UHFFFAOYSA-N -2 1 397.382 3.081 20 0 GGADML O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc(-c2nnn[n-]2)cn1 ZINC000826450517 1427038254 /nfs/dbraw/zinc/03/82/54/1427038254.db2.gz PRFLWEHRLMCGMJ-UHFFFAOYSA-N -2 1 385.598 3.180 20 0 GGADML O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000737852231 1427053400 /nfs/dbraw/zinc/05/34/00/1427053400.db2.gz FKQKJJDYQLWMLB-UHFFFAOYSA-N -2 1 395.423 3.096 20 0 GGADML CCCCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@H](C)c1ccccc1 ZINC000174362444 1427121137 /nfs/dbraw/zinc/12/11/37/1427121137.db2.gz HOGGCJLOGZXIFW-CQSZACIVSA-N -2 1 380.448 3.336 20 0 GGADML CCCCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@@H](C)c1ccccc1 ZINC000174362429 1427121228 /nfs/dbraw/zinc/12/12/28/1427121228.db2.gz HOGGCJLOGZXIFW-AWEZNQCLSA-N -2 1 380.448 3.336 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(CCC(F)(F)F)cc1 ZINC000826451147 1427178309 /nfs/dbraw/zinc/17/83/09/1427178309.db2.gz RTFIGACDGYMTHG-UHFFFAOYSA-N -2 1 377.326 3.320 20 0 GGADML Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000822267480 1427463752 /nfs/dbraw/zinc/46/37/52/1427463752.db2.gz WFVWZSQKWLBYQO-UHFFFAOYSA-N -2 1 387.465 3.072 20 0 GGADML Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC000175101536 1427547291 /nfs/dbraw/zinc/54/72/91/1427547291.db2.gz IOWUMATZVBTHLM-UGSOOPFHSA-N -2 1 392.459 3.254 20 0 GGADML Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826323244 1427594042 /nfs/dbraw/zinc/59/40/42/1427594042.db2.gz WLCKTEULWHAUAZ-UHFFFAOYSA-N -2 1 398.473 3.099 20 0 GGADML Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)c(Cl)cc1F ZINC000822211652 1427702877 /nfs/dbraw/zinc/70/28/77/1427702877.db2.gz JBNDHJZLPVSITB-UHFFFAOYSA-N -2 1 381.820 3.077 20 0 GGADML O=C(CCn1ccc2cc(Cl)ccc21)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826409744 1427707748 /nfs/dbraw/zinc/70/77/48/1427707748.db2.gz NJWVPLBWWDEIHT-UHFFFAOYSA-N -2 1 382.811 3.209 20 0 GGADML O=C([O-])CC1(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCCCC1 ZINC000823387511 1427735112 /nfs/dbraw/zinc/73/51/12/1427735112.db2.gz NJEVIVRZJKLRRQ-UHFFFAOYSA-N -2 1 377.832 3.274 20 0 GGADML O=C(Nc1cc(Br)cc(Cl)c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826451472 1427826356 /nfs/dbraw/zinc/82/63/56/1427826356.db2.gz IETQHJFKNXDUHK-UHFFFAOYSA-N -2 1 394.616 3.241 20 0 GGADML Cc1nc(-c2cccs2)sc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822423780 1427843914 /nfs/dbraw/zinc/84/39/14/1427843914.db2.gz ONKWFLLEHLEOCR-UHFFFAOYSA-N -2 1 384.446 3.318 20 0 GGADML CSCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826228948 1427915646 /nfs/dbraw/zinc/91/56/46/1427915646.db2.gz HWRBFXLLUQNGKX-UHFFFAOYSA-N -2 1 395.897 3.184 20 0 GGADML Cc1cc(C)n([C@@H](C)C(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)n1 ZINC000826265012 1428009183 /nfs/dbraw/zinc/00/91/83/1428009183.db2.gz JIWOPKROVGONRC-LBPRGKRZSA-N -2 1 394.464 3.003 20 0 GGADML Cc1cc(C)n([C@@H](C)C(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)n1 ZINC000826265012 1428009188 /nfs/dbraw/zinc/00/91/88/1428009188.db2.gz JIWOPKROVGONRC-LBPRGKRZSA-N -2 1 394.464 3.003 20 0 GGADML C[C@@H](NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820314002 1428065925 /nfs/dbraw/zinc/06/59/25/1428065925.db2.gz GLFDOZWRIWGOIG-ZUOKHONESA-N -2 1 385.468 3.105 20 0 GGADML CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736699942 1428109263 /nfs/dbraw/zinc/10/92/63/1428109263.db2.gz QEWCZCCFYCXDCB-UHFFFAOYSA-N -2 1 391.884 3.446 20 0 GGADML Cc1cccc(S(=O)(=O)[N-][N-]C(=O)c2c(Cl)cccc2Cl)c1F ZINC000180507422 1429885554 /nfs/dbraw/zinc/88/55/54/1429885554.db2.gz BOCGLAKRVGHETQ-UHFFFAOYSA-N -2 1 377.224 3.064 20 0 GGADML CSc1ccccc1S(=O)(=O)[N-][N-]C(=O)c1c(Cl)cccc1Cl ZINC000188423543 1431882966 /nfs/dbraw/zinc/88/29/66/1431882966.db2.gz VBZVPSKXHLSIEP-UHFFFAOYSA-N -2 1 391.301 3.339 20 0 GGADML Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccn2)cc1C(=O)[O-] ZINC000190839521 1432502246 /nfs/dbraw/zinc/50/22/46/1432502246.db2.gz QMEGPCZQHNCNRN-UHFFFAOYSA-N -2 1 391.836 3.333 20 0 GGADML CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263347027 1434002935 /nfs/dbraw/zinc/00/29/35/1434002935.db2.gz ULACAZLWECWJIX-CYBMUJFWSA-N -2 1 390.461 3.279 20 0 GGADML COCc1ccccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000263806653 1434036360 /nfs/dbraw/zinc/03/63/60/1434036360.db2.gz MZMXUAKYWPAZAG-UHFFFAOYSA-N -2 1 393.461 3.186 20 0 GGADML Cc1cc(C(=O)N2CC[C@](C)(CCc3ccccc3)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000267610655 1434449792 /nfs/dbraw/zinc/44/97/92/1434449792.db2.gz WFHUDNRRCZSTHC-QFIPXVFZSA-N -2 1 392.459 3.229 20 0 GGADML Cc1cc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000267610653 1434449846 /nfs/dbraw/zinc/44/98/46/1434449846.db2.gz WFHUDNRRCZSTHC-JOCHJYFZSA-N -2 1 392.459 3.229 20 0 GGADML COCc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000272744282 1434927636 /nfs/dbraw/zinc/92/76/36/1434927636.db2.gz IOGPOIRNVKSWQM-UHFFFAOYSA-N -2 1 377.462 3.186 20 0 GGADML CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000276635689 1435221880 /nfs/dbraw/zinc/22/18/80/1435221880.db2.gz WTGNVKVIAYBCBB-UHFFFAOYSA-N -2 1 378.450 3.161 20 0 GGADML COc1cc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c(C)cc1C ZINC000279998632 1435574303 /nfs/dbraw/zinc/57/43/03/1435574303.db2.gz RTXIAURTFNCIPR-UHFFFAOYSA-N -2 1 391.445 3.160 20 0 GGADML Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1-c1nnn[n-]1 ZINC000826299645 1441456742 /nfs/dbraw/zinc/45/67/42/1441456742.db2.gz ODDUDGZMAPVSPI-UHFFFAOYSA-N -2 1 384.248 3.283 20 0 GGADML O=S(=O)([N-]c1cccc(CCC(F)(F)F)c1)c1ccccc1-c1nnn[n-]1 ZINC000823589130 1441496274 /nfs/dbraw/zinc/49/62/74/1441496274.db2.gz OPAYGFJZHWOIRR-UHFFFAOYSA-N -2 1 397.382 3.162 20 0 GGADML O=S(=O)([N-]c1ccccc1-c1nnn[n-]1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000826493130 1441502775 /nfs/dbraw/zinc/50/27/75/1441502775.db2.gz VBJAVKMYWQEVEM-UHFFFAOYSA-N -2 1 389.440 3.239 20 0 GGADML O=C(Cc1ccc(F)cc1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826423026 1441507623 /nfs/dbraw/zinc/50/76/23/1441507623.db2.gz VWJWYJPHPFOFBE-UHFFFAOYSA-N -2 1 380.408 3.311 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cc(Cl)cc(Br)c1 ZINC000826450821 1441532047 /nfs/dbraw/zinc/53/20/47/1441532047.db2.gz FJFXACBTQJCDFR-UHFFFAOYSA-N -2 1 394.616 3.241 20 0 GGADML O=S(=O)([N-]c1ccccc1CCC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000823589027 1441860932 /nfs/dbraw/zinc/86/09/32/1441860932.db2.gz ISGYHBNGNSRXPZ-UHFFFAOYSA-N -2 1 397.382 3.162 20 0 GGADML Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC000826255942 1441970186 /nfs/dbraw/zinc/97/01/86/1441970186.db2.gz PGXVMJFVPNIHBT-UHFFFAOYSA-N -2 1 392.444 3.038 20 0 GGADML CC(C)c1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820196801 1441974300 /nfs/dbraw/zinc/97/43/00/1441974300.db2.gz CTPJTTKZBROCRZ-UHFFFAOYSA-N -2 1 379.392 3.069 20 0 GGADML O=S(=O)([N-]c1cc(-c2nnn[n-]2)ccc1O)c1ccccc1-c1ccccc1 ZINC000823583125 1442073346 /nfs/dbraw/zinc/07/33/46/1442073346.db2.gz HWYBVINWCUZISG-UHFFFAOYSA-N -2 1 393.428 3.040 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(Cl)c(Br)c1 ZINC000826450923 1442176365 /nfs/dbraw/zinc/17/63/65/1442176365.db2.gz IWNJBKVRDUJOHV-UHFFFAOYSA-N -2 1 394.616 3.241 20 0 GGADML CCN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380087 1442183526 /nfs/dbraw/zinc/18/35/26/1442183526.db2.gz ODRWSUAWAXFSOX-SECBINFHSA-N -2 1 391.353 3.213 20 0 GGADML Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826322819 1442277898 /nfs/dbraw/zinc/27/78/98/1442277898.db2.gz CQCSOEKZBCAYEH-UHFFFAOYSA-N -2 1 398.473 3.099 20 0 GGADML COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c2ccccc12 ZINC000821845120 1442296252 /nfs/dbraw/zinc/29/62/52/1442296252.db2.gz AXQXIFNTOOWGHY-UHFFFAOYSA-N -2 1 395.444 3.138 20 0 GGADML COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)c2ccccc12 ZINC000821845120 1442296255 /nfs/dbraw/zinc/29/62/55/1442296255.db2.gz AXQXIFNTOOWGHY-UHFFFAOYSA-N -2 1 395.444 3.138 20 0 GGADML O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822950585 1442378961 /nfs/dbraw/zinc/37/89/61/1442378961.db2.gz UHCUZWABSYSWAF-UHFFFAOYSA-N -2 1 391.431 3.053 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])C1c2ccccc2Oc2ccccc21 ZINC000826451143 1442426838 /nfs/dbraw/zinc/42/68/38/1442426838.db2.gz RPZTXTRIOMJDIB-UHFFFAOYSA-N -2 1 385.383 3.449 20 0 GGADML CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000736487927 1443145116 /nfs/dbraw/zinc/14/51/16/1443145116.db2.gz KBGAKPBPXFICMQ-UHFFFAOYSA-N -2 1 392.872 3.143 20 0 GGADML CCCNc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000736487927 1443145117 /nfs/dbraw/zinc/14/51/17/1443145117.db2.gz KBGAKPBPXFICMQ-UHFFFAOYSA-N -2 1 392.872 3.143 20 0 GGADML O=S(=O)([N-]c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(F)ccc1Cl ZINC000738345910 1443210870 /nfs/dbraw/zinc/21/08/70/1443210870.db2.gz RCZFZEAQFROYGW-UHFFFAOYSA-N -2 1 388.211 3.113 20 0 GGADML CCSc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000736667326 1443241653 /nfs/dbraw/zinc/24/16/53/1443241653.db2.gz NZDYOEMFACEONE-UHFFFAOYSA-N -2 1 375.479 3.088 20 0 GGADML CCSc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000736667326 1443241656 /nfs/dbraw/zinc/24/16/56/1443241656.db2.gz NZDYOEMFACEONE-UHFFFAOYSA-N -2 1 375.479 3.088 20 0 GGADML COc1ccc2cc([C@H](C)C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])ccc2c1 ZINC000821854147 1443281644 /nfs/dbraw/zinc/28/16/44/1443281644.db2.gz GPOMOAXUZUYTRZ-LBPRGKRZSA-N -2 1 389.415 3.476 20 0 GGADML Cc1cc(C)cc(-c2nnc([N-]C(=O)c3sccc3-c3nnn[n-]3)s2)c1 ZINC000737251192 1443295890 /nfs/dbraw/zinc/29/58/90/1443295890.db2.gz BUHGOWUYLVEWEW-UHFFFAOYSA-N -2 1 383.462 3.316 20 0 GGADML O=C(CCSc1nc2ccccc2s1)Nc1cc(-c2nn[n-]n2)ccc1O ZINC000826408129 1443325512 /nfs/dbraw/zinc/32/55/12/1443325512.db2.gz QUONDDBHCNGZPA-UHFFFAOYSA-N -2 1 398.473 3.303 20 0 GGADML O=C(CCSc1nc2ccccc2s1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826408129 1443325515 /nfs/dbraw/zinc/32/55/15/1443325515.db2.gz QUONDDBHCNGZPA-UHFFFAOYSA-N -2 1 398.473 3.303 20 0 GGADML Cc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000826263811 1443394605 /nfs/dbraw/zinc/39/46/05/1443394605.db2.gz ROHHJLIUOBNVGN-UHFFFAOYSA-N -2 1 377.857 3.246 20 0 GGADML C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000820533583 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AYMMIQWYKXUMPS-UHFFFAOYSA-N -2 1 384.465 3.216 20 0 GGADML O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ccc(F)cc1[O-] ZINC000826459871 1446638743 /nfs/dbraw/zinc/63/87/43/1446638743.db2.gz COIYKOGSRZBSBQ-UHFFFAOYSA-N -2 1 396.407 3.011 20 0 GGADML Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000826293066 1446797900 /nfs/dbraw/zinc/79/79/00/1446797900.db2.gz ZGKQCTBZWSSYIV-UHFFFAOYSA-N -2 1 397.416 3.361 20 0 GGADML Cc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cccc1-c1nnn[n-]1 ZINC000826243029 1446803666 /nfs/dbraw/zinc/80/36/66/1446803666.db2.gz QWJBSFOJBNPXRI-UHFFFAOYSA-N -2 1 377.495 3.335 20 0 GGADML Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccnc(-c2ccccc2)c1 ZINC000737300557 1446810304 /nfs/dbraw/zinc/81/03/04/1446810304.db2.gz AXRKOZWJRQVMOJ-UHFFFAOYSA-N -2 1 392.444 3.038 20 0 GGADML Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccnc(-c2ccccc2)c1 ZINC000737300557 1446810306 /nfs/dbraw/zinc/81/03/06/1446810306.db2.gz AXRKOZWJRQVMOJ-UHFFFAOYSA-N -2 1 392.444 3.038 20 0 GGADML Cc1cccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1-c1nnn[n-]1 ZINC000826303957 1446818808 /nfs/dbraw/zinc/81/88/08/1446818808.db2.gz OFJAOTDAYHAGDT-UHFFFAOYSA-N -2 1 397.382 3.081 20 0 GGADML Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000737225483 1446905614 /nfs/dbraw/zinc/90/56/14/1446905614.db2.gz OMYRFDPKADRUOP-UHFFFAOYSA-N -2 1 398.473 3.099 20 0 GGADML Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000737225483 1446905616 /nfs/dbraw/zinc/90/56/16/1446905616.db2.gz OMYRFDPKADRUOP-UHFFFAOYSA-N -2 1 398.473 3.099 20 0 GGADML Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cccc1-c1nnn[n-]1 ZINC000822130312 1447183462 /nfs/dbraw/zinc/18/34/62/1447183462.db2.gz SSGMXQGUKYZXEX-UHFFFAOYSA-N -2 1 384.248 3.283 20 0 GGADML CC(C)c1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])nn1-c1ccccc1 ZINC000820187737 1447328050 /nfs/dbraw/zinc/32/80/50/1447328050.db2.gz OVXBFRUVOMGDSL-UHFFFAOYSA-N -2 1 389.419 3.134 20 0 GGADML O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]c1nc(-c2ccsc2)ns1 ZINC000737801242 1449132471 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20 0 GGADML O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000058381598 564683440 /nfs/dbraw/zinc/68/34/40/564683440.db2.gz ZCTOSGNPZRDSDL-UHFFFAOYSA-N -2 1 381.278 3.483 20 0 GGADML O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000060367197 564697205 /nfs/dbraw/zinc/69/72/05/564697205.db2.gz JTKKHRANRVTFRU-UHFFFAOYSA-N -2 1 381.278 3.483 20 0 GGADML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000060800432 564702132 /nfs/dbraw/zinc/70/21/32/564702132.db2.gz LZYVGSDWKXZADQ-UHFFFAOYSA-N -2 1 375.324 3.235 20 0 GGADML Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)s1 ZINC000071392889 564856548 /nfs/dbraw/zinc/85/65/48/564856548.db2.gz POAGNRSIKJQTPZ-UHFFFAOYSA-N -2 1 376.253 3.318 20 0 GGADML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1N(C)C ZINC000071798578 564857328 /nfs/dbraw/zinc/85/73/28/564857328.db2.gz GAEGGHROJHIYKT-UHFFFAOYSA-N -2 1 386.832 3.353 20 0 GGADML CC[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])C1 ZINC000137117504 564859686 /nfs/dbraw/zinc/85/96/86/564859686.db2.gz JMOAIVDEUZNKRX-LBPRGKRZSA-N -2 1 380.491 3.127 20 0 GGADML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000078938729 564865964 /nfs/dbraw/zinc/86/59/64/564865964.db2.gz QKOQCKMCJNOITN-UHFFFAOYSA-N -2 1 388.214 3.016 20 0 GGADML CCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)cc1C(=O)[O-] ZINC000152946365 564977800 /nfs/dbraw/zinc/97/78/00/564977800.db2.gz FBBNJOWSJJKQNV-UHFFFAOYSA-N -2 1 382.869 3.467 20 0 GGADML CC[C@@H](C)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000111628957 565055944 /nfs/dbraw/zinc/05/59/44/565055944.db2.gz XWENPSKGKRVGQF-GFCCVEGCSA-N -2 1 382.507 3.373 20 0 GGADML Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000184151462 565116081 /nfs/dbraw/zinc/11/60/81/565116081.db2.gz BPPGJNSFPHRVTH-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000184151439 565116435 /nfs/dbraw/zinc/11/64/35/565116435.db2.gz ZTMOCYIRTPWZCB-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1)C(=O)[O-] ZINC000184656931 565151617 /nfs/dbraw/zinc/15/16/17/565151617.db2.gz XZDPGSAAKHLCKC-NSHDSACASA-N -2 1 378.837 3.276 20 0 GGADML Cc1cc(Br)cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000185976581 565232860 /nfs/dbraw/zinc/23/28/60/565232860.db2.gz OWUPMQVLZKNARJ-UHFFFAOYSA-N -2 1 384.251 3.185 20 0 GGADML Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)ccc1F ZINC000161713209 565291895 /nfs/dbraw/zinc/29/18/95/565291895.db2.gz MTTGLOHTAXQQAJ-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML CCCN(C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-])C1CC1 ZINC000170900154 565398584 /nfs/dbraw/zinc/39/85/84/565398584.db2.gz GWFPSGDMWLDBBN-UHFFFAOYSA-N -2 1 380.491 3.269 20 0 GGADML O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000275355037 565406107 /nfs/dbraw/zinc/40/61/07/565406107.db2.gz WUUTWAGMMSNGCJ-ZETCQYMHSA-N -2 1 399.696 3.043 20 0 GGADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1F ZINC000389690122 565554541 /nfs/dbraw/zinc/55/45/41/565554541.db2.gz AZTYOKYJYQNKIP-UHFFFAOYSA-N -2 1 392.177 3.226 20 0 GGADML O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000389578252 565554966 /nfs/dbraw/zinc/55/49/66/565554966.db2.gz XMABVCRMWDPFNH-UHFFFAOYSA-N -2 1 392.177 3.226 20 0 GGADML Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)ccc1Br ZINC000389740731 565555215 /nfs/dbraw/zinc/55/52/15/565555215.db2.gz KNOQQIHIEDXLLQ-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000392600864 565565690 /nfs/dbraw/zinc/56/56/90/565565690.db2.gz DHLMKWSPVAEELU-UHFFFAOYSA-N -2 1 375.324 3.013 20 0 GGADML CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cc1 ZINC000392787092 565566744 /nfs/dbraw/zinc/56/67/44/565566744.db2.gz LZEIJVFKHWBLIJ-UHFFFAOYSA-N -2 1 382.825 3.106 20 0 GGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1F ZINC000392968589 565566800 /nfs/dbraw/zinc/56/68/00/565566800.db2.gz DXJDBMNODAKVQO-UHFFFAOYSA-N -2 1 379.287 3.223 20 0 GGADML COc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000393235393 565568571 /nfs/dbraw/zinc/56/85/71/565568571.db2.gz YNPBVDPVKCXWMW-UHFFFAOYSA-N -2 1 375.324 3.213 20 0 GGADML CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000393113675 565568604 /nfs/dbraw/zinc/56/86/04/565568604.db2.gz NBRTXXQLHATWFP-UHFFFAOYSA-N -2 1 382.463 3.212 20 0 GGADML O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000314356714 565585871 /nfs/dbraw/zinc/58/58/71/565585871.db2.gz MIHRHRMQTKYMBA-VIFPVBQESA-N -2 1 380.274 3.029 20 0 GGADML O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(Br)c1 ZINC000315358513 565590255 /nfs/dbraw/zinc/59/02/55/565590255.db2.gz ICNGHIBKDJTEAQ-UHFFFAOYSA-N -2 1 392.177 3.226 20 0 GGADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(Br)c1 ZINC000315687629 565590528 /nfs/dbraw/zinc/59/05/28/565590528.db2.gz WNCUUHYSICYXMO-UHFFFAOYSA-N -2 1 392.177 3.226 20 0 GGADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000316530319 565591632 /nfs/dbraw/zinc/59/16/32/565591632.db2.gz BJIFUXWLZCQDCZ-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)cc1F ZINC000316649636 565592650 /nfs/dbraw/zinc/59/26/50/565592650.db2.gz QLSLHCSLFABMKT-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1C(=O)[O-] ZINC000318515074 565597110 /nfs/dbraw/zinc/59/71/10/565597110.db2.gz HEJGANFXRRNCJH-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML Cc1cc(Br)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000319109183 565597949 /nfs/dbraw/zinc/59/79/49/565597949.db2.gz GOELGSZZKSYOQO-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000320644389 565602836 /nfs/dbraw/zinc/60/28/36/565602836.db2.gz FIPCTVWSRFIIKX-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)cc1 ZINC000322625182 565610184 /nfs/dbraw/zinc/61/01/84/565610184.db2.gz TUDYRFGUIMYJFU-UHFFFAOYSA-N -2 1 398.234 3.151 20 0 GGADML C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000323038862 565611997 /nfs/dbraw/zinc/61/19/97/565611997.db2.gz BMSVJPGVHMGLSP-YGRLFVJLSA-N -2 1 384.256 3.444 20 0 GGADML O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000326426298 565623464 /nfs/dbraw/zinc/62/34/64/565623464.db2.gz WFABDMGVWHXCAH-LLVKDONJSA-N -2 1 392.235 3.107 20 0 GGADML O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(Br)cc(Cl)c1[O-] ZINC000174245404 565623874 /nfs/dbraw/zinc/62/38/74/565623874.db2.gz XYXXRGYSYHIPRB-UHFFFAOYSA-N -2 1 385.527 3.197 20 0 GGADML Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1C(=O)[O-] ZINC000326405898 565623997 /nfs/dbraw/zinc/62/39/97/565623997.db2.gz OSELWWJZFJTERD-UHFFFAOYSA-N -2 1 375.324 3.393 20 0 GGADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000327019329 565627494 /nfs/dbraw/zinc/62/74/94/565627494.db2.gz SHCNVCQOJOARHF-UHFFFAOYSA-N -3 1 383.809 3.154 20 0 GGADML O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000327238950 565628414 /nfs/dbraw/zinc/62/84/14/565628414.db2.gz VQQIHPUGDCBKAV-UHFFFAOYSA-N -2 1 379.287 3.223 20 0 GGADML O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1F ZINC000327345372 565629447 /nfs/dbraw/zinc/62/94/47/565629447.db2.gz CISUWFZGBOXOTE-UHFFFAOYSA-N -2 1 379.287 3.223 20 0 GGADML COc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000327520597 565630802 /nfs/dbraw/zinc/63/08/02/565630802.db2.gz QWFGOBFFLSCJJJ-UHFFFAOYSA-N -2 1 375.324 3.213 20 0 GGADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000327645869 565632300 /nfs/dbraw/zinc/63/23/00/565632300.db2.gz UFQYXYMQNXUSEH-UHFFFAOYSA-N -2 1 375.324 3.235 20 0 GGADML CC1(C)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])C1 ZINC000174829124 565662740 /nfs/dbraw/zinc/66/27/40/565662740.db2.gz RHHTWGIIEGMPKX-UHFFFAOYSA-N -2 1 380.491 3.127 20 0 GGADML O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2F)c1F ZINC000193041086 565727769 /nfs/dbraw/zinc/72/77/69/565727769.db2.gz MJFOKWJXHTYJNI-UHFFFAOYSA-N -2 1 392.177 3.226 20 0 GGADML O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)cc(Br)c1[O-] ZINC000177022739 565823159 /nfs/dbraw/zinc/82/31/59/565823159.db2.gz KKUQBUFRFCZWIE-UHFFFAOYSA-N -2 1 385.527 3.197 20 0 GGADML O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(F)(F)F ZINC000284934888 565877794 /nfs/dbraw/zinc/87/77/94/565877794.db2.gz CNVSGXUDGVUJAN-ZETCQYMHSA-N -2 1 394.198 3.315 20 0 GGADML O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000285181434 565892370 /nfs/dbraw/zinc/89/23/70/565892370.db2.gz QKBGUFIFGRPKLR-SSDOTTSWSA-N -2 1 394.198 3.315 20 0 GGADML Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)sc1C(=O)[O-] ZINC000229583274 565925645 /nfs/dbraw/zinc/92/56/45/565925645.db2.gz ZFHDVQXZBYXIRJ-UHFFFAOYSA-N -2 1 394.243 3.457 20 0 GGADML CC(C)N(C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-])C1CC1 ZINC000179538695 565987956 /nfs/dbraw/zinc/98/79/56/565987956.db2.gz RDEPTIVJFGOKJP-UHFFFAOYSA-N -2 1 380.491 3.268 20 0 GGADML O=C([O-])C1CCC([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000262490113 566153347 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GGADML Cc1cc2c(cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C)OCO2 ZINC000510082941 566364032 /nfs/dbraw/zinc/36/40/32/566364032.db2.gz GBDCBEPLYDPOBZ-UHFFFAOYSA-N -2 1 383.809 3.185 20 0 GGADML Cc1cc(Br)c([O-])c(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC000483186980 566364287 /nfs/dbraw/zinc/36/42/87/566364287.db2.gz AXVLUAGYYBZZFY-UHFFFAOYSA-N -2 1 390.193 3.059 20 0 GGADML Cc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)OCO2 ZINC000510113556 566365365 /nfs/dbraw/zinc/36/53/65/566365365.db2.gz DPNGSLGLGXFULD-UHFFFAOYSA-N -2 1 383.809 3.185 20 0 GGADML Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)cc1F ZINC000576709748 566370425 /nfs/dbraw/zinc/37/04/25/566370425.db2.gz WSLQNJQXOQOXKJ-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447790179 566430473 /nfs/dbraw/zinc/43/04/73/566430473.db2.gz YWPIAONHIHNIHF-UHFFFAOYSA-N -2 1 377.315 3.272 20 0 GGADML Cc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1C(=O)[O-] ZINC000447792697 566431994 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389.853 3.352 20 0 GGADML Cc1cccc([C@H]2CCCCN2C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1C ZINC000173420736 1426603582 /nfs/dbraw/zinc/60/35/82/1426603582.db2.gz WDVXMPGVBOBFPM-QGZVFWFLSA-N -2 1 392.459 3.316 20 0 GGADML CC(C)CCO[C@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824248995 1426796424 /nfs/dbraw/zinc/79/64/24/1426796424.db2.gz GHTOVZVOTHLPFW-GFCCVEGCSA-N -2 1 386.481 3.380 20 0 GGADML CC(C)CCO[C@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824248995 1426796429 /nfs/dbraw/zinc/79/64/29/1426796429.db2.gz GHTOVZVOTHLPFW-GFCCVEGCSA-N -2 1 386.481 3.380 20 0 GGADML CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736665019 1426801620 /nfs/dbraw/zinc/80/16/20/1426801620.db2.gz CZKYBRCOLIRLMX-UHFFFAOYSA-N -2 1 395.897 3.433 20 0 GGADML CSc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821983451 1426897974 /nfs/dbraw/zinc/89/79/74/1426897974.db2.gz HTFFFAWFCZRXQQ-UHFFFAOYSA-N -2 1 381.870 3.043 20 0 GGADML CSc1ccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821983451 1426897980 /nfs/dbraw/zinc/89/79/80/1426897980.db2.gz HTFFFAWFCZRXQQ-UHFFFAOYSA-N -2 1 381.870 3.043 20 0 GGADML CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])o2)cc1 ZINC000819832810 1426902361 /nfs/dbraw/zinc/90/23/61/1426902361.db2.gz BCBWPYNDPNBFDR-UHFFFAOYSA-N -2 1 389.371 3.287 20 0 GGADML Cc1cc(C(=O)N2CCCCC[C@H]2c2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174068657 1426984914 /nfs/dbraw/zinc/98/49/14/1426984914.db2.gz BLDAHBVFOMVPDZ-INIZCTEOSA-N -2 1 378.432 3.090 20 0 GGADML Cc1cc(C(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174089755 1426996015 /nfs/dbraw/zinc/99/60/15/1426996015.db2.gz GOXDHAIVBJPVSU-NSHDSACASA-N -2 1 398.850 3.351 20 0 GGADML Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2 ZINC000737300587 1427013589 /nfs/dbraw/zinc/01/35/89/1427013589.db2.gz CKKJEIBHJXIBHC-UHFFFAOYSA-N -2 1 391.456 3.228 20 0 GGADML Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2 ZINC000737300587 1427013594 /nfs/dbraw/zinc/01/35/94/1427013594.db2.gz CKKJEIBHJXIBHC-UHFFFAOYSA-N -2 1 391.456 3.228 20 0 GGADML O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1F ZINC000823582816 1427049177 /nfs/dbraw/zinc/04/91/77/1427049177.db2.gz BEVVABSNSZALJB-UHFFFAOYSA-N -2 1 388.211 3.113 20 0 GGADML CCCSc1nsc([N-]C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821138893 1427056891 /nfs/dbraw/zinc/05/68/91/1427056891.db2.gz JMFPCCTULYGZGJ-SECBINFHSA-N -2 1 390.498 3.103 20 0 GGADML O=C(COc1ccccc1-c1nnn[n-]1)[N-]c1scnc1-c1ccccc1 ZINC000737932239 1427066659 /nfs/dbraw/zinc/06/66/59/1427066659.db2.gz VIKHGSSJKBWGGO-UHFFFAOYSA-N -2 1 378.417 3.008 20 0 GGADML CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000174377142 1427127664 /nfs/dbraw/zinc/12/76/64/1427127664.db2.gz IUPCYWWAPBMPPX-WBVHZDCISA-N -2 1 392.459 3.131 20 0 GGADML Cc1cc(C(=O)N[C@H](C)c2cc3ccccc3s2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174691668 1427312042 /nfs/dbraw/zinc/31/20/42/1427312042.db2.gz AVAPQNNKAAPFKF-SNVBAGLBSA-N -2 1 380.429 3.038 20 0 GGADML CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@H](C)c1cc2ccccc2o1 ZINC000174749285 1427347080 /nfs/dbraw/zinc/34/70/80/1427347080.db2.gz HNMVQRGCDNCYPN-GFCCVEGCSA-N -2 1 392.415 3.302 20 0 GGADML Cc1cccc([C@H]2CCCCCN2C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000174979047 1427476583 /nfs/dbraw/zinc/47/65/83/1427476583.db2.gz UVOWWNAWZVPEAG-QGZVFWFLSA-N -2 1 392.459 3.398 20 0 GGADML CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000736960598 1427654886 /nfs/dbraw/zinc/65/48/86/1427654886.db2.gz HIYQSWDEOWRFQO-SNVBAGLBSA-N -2 1 393.856 3.028 20 0 GGADML CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000736960598 1427654894 /nfs/dbraw/zinc/65/48/94/1427654894.db2.gz HIYQSWDEOWRFQO-SNVBAGLBSA-N -2 1 393.856 3.028 20 0 GGADML Cc1cc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)ccc2[nH]1 ZINC000826272936 1427809459 /nfs/dbraw/zinc/80/94/59/1427809459.db2.gz HSXIOBHPRHVRGP-UHFFFAOYSA-N -2 1 388.840 3.111 20 0 GGADML Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccccc1OC(C)(C)C ZINC000737301365 1427814320 /nfs/dbraw/zinc/81/43/20/1427814320.db2.gz KRIHBGDFQZTBBM-UHFFFAOYSA-N -2 1 387.465 3.153 20 0 GGADML CC(C)Oc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000820156022 1430111840 /nfs/dbraw/zinc/11/18/40/1430111840.db2.gz ZSHBVIYVARBLAD-UHFFFAOYSA-N -2 1 399.432 3.201 20 0 GGADML O=C([N-]NC(=O)c1ccc(Br)cc1Cl)c1c([O-])cccc1F ZINC000185166207 1431076177 /nfs/dbraw/zinc/07/61/77/1431076177.db2.gz ODDHUTSUPKVVSE-UHFFFAOYSA-N -2 1 387.592 3.022 20 0 GGADML Cc1cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000185284066 1431099164 /nfs/dbraw/zinc/09/91/64/1431099164.db2.gz NKVLXMMGRNUKCL-UHFFFAOYSA-N -2 1 398.850 3.005 20 0 GGADML Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)nc2C)c(C)c1CC(=O)[O-] ZINC000193497594 1433009357 /nfs/dbraw/zinc/00/93/57/1433009357.db2.gz ICDSVTITPIERBU-UHFFFAOYSA-N -2 1 382.869 3.397 20 0 GGADML CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000265234291 1434204330 /nfs/dbraw/zinc/20/43/30/1434204330.db2.gz HZGXFXSVVOIQOL-RUZDIDTESA-N -2 1 395.502 3.188 20 0 GGADML CCCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@H](C)c1ccccc1OC ZINC000266850695 1434381787 /nfs/dbraw/zinc/38/17/87/1434381787.db2.gz PHQNJCDEMGMLLD-CYBMUJFWSA-N -2 1 396.447 3.366 20 0 GGADML CCCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@@H]1CCc2ccccc21 ZINC000266898603 1434386592 /nfs/dbraw/zinc/38/65/92/1434386592.db2.gz YLQGBLURKWPMCF-MRXNPFEDSA-N -2 1 378.432 3.284 20 0 GGADML CCCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@H]1CCc2ccccc21 ZINC000266898600 1434386606 /nfs/dbraw/zinc/38/66/06/1434386606.db2.gz YLQGBLURKWPMCF-INIZCTEOSA-N -2 1 378.432 3.284 20 0 GGADML CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c(C)c1 ZINC000267502695 1434441697 /nfs/dbraw/zinc/44/16/97/1434441697.db2.gz LTPXDNRTWYRKMR-UHFFFAOYSA-N -2 1 391.445 3.242 20 0 GGADML COc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1OC(C)C ZINC000273559832 1434996769 /nfs/dbraw/zinc/99/67/69/1434996769.db2.gz BJYUHSCHGNTXND-UHFFFAOYSA-N -2 1 393.461 3.300 20 0 GGADML Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)C2)cc1 ZINC000278900086 1435437410 /nfs/dbraw/zinc/43/74/10/1435437410.db2.gz JRRYZRRIJGMMGB-HIFRSBDPSA-N -2 1 378.432 3.071 20 0 GGADML Cc1cc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000280279068 1435624377 /nfs/dbraw/zinc/62/43/77/1435624377.db2.gz RITYCESBMWBWGI-UHFFFAOYSA-N -2 1 398.850 3.418 20 0 GGADML COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)cc1CC(=O)[O-] ZINC000281921491 1435826919 /nfs/dbraw/zinc/82/69/19/1435826919.db2.gz HGUDNGCOHYJXQW-UHFFFAOYSA-N -2 1 392.477 3.334 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccccc1SC(F)(F)F ZINC000826450985 1441629039 /nfs/dbraw/zinc/62/90/39/1441629039.db2.gz LJJDYYMMJBZNAC-UHFFFAOYSA-N -2 1 381.339 3.437 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1coc(-c2ccccc2Cl)n1 ZINC000826451085 1441857329 /nfs/dbraw/zinc/85/73/29/1441857329.db2.gz PJCFVZGCMXZCHL-UHFFFAOYSA-N -2 1 382.767 3.133 20 0 GGADML CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000825158971 1441975128 /nfs/dbraw/zinc/97/51/28/1441975128.db2.gz FXOKRAQZJFXWRS-QGZVFWFLSA-N -2 1 381.436 3.492 20 0 GGADML O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]c1nnc(C=Cc2ccco2)s1 ZINC000826408592 1442006736 /nfs/dbraw/zinc/00/67/36/1442006736.db2.gz NHMBIFLWHVUIDU-NTMALXAHSA-N -2 1 393.432 3.053 20 0 GGADML O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]c1nc(-c2cccs2)ns1 ZINC000826408821 1442186417 /nfs/dbraw/zinc/18/64/17/1442186417.db2.gz WQFBMWGBGHBWBF-UHFFFAOYSA-N -2 1 383.462 3.018 20 0 GGADML C[C@@H](NC(=O)[N-]c1nnc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380394 1442376641 /nfs/dbraw/zinc/37/66/41/1442376641.db2.gz RVEABZDCQBNWPP-LLVKDONJSA-N -2 1 392.448 3.268 20 0 GGADML Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1C ZINC000822266749 1442391169 /nfs/dbraw/zinc/39/11/69/1442391169.db2.gz GZCPMGQNHWCJPB-UHFFFAOYSA-N -2 1 397.382 3.303 20 0 GGADML Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1C ZINC000822130336 1443077953 /nfs/dbraw/zinc/07/79/53/1443077953.db2.gz SYQBYPAINDKVOK-UHFFFAOYSA-N -2 1 387.396 3.170 20 0 GGADML COc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000826186784 1443164809 /nfs/dbraw/zinc/16/48/09/1443164809.db2.gz KQBNEAOLMKTRLK-UHFFFAOYSA-N -2 1 393.494 3.035 20 0 GGADML O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823382846 1443172642 /nfs/dbraw/zinc/17/26/42/1443172642.db2.gz DZUMFCHHMZPBIX-UHFFFAOYSA-N -2 1 389.853 3.352 20 0 GGADML Cc1cccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c1-c1nnn[n-]1 ZINC000826303967 1443227548 /nfs/dbraw/zinc/22/75/48/1443227548.db2.gz PCSFVORIBDZRAR-UHFFFAOYSA-N -2 1 392.444 3.038 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cc(C2CC2)nc2ccc(F)cc21 ZINC000826450803 1443328626 /nfs/dbraw/zinc/32/86/26/1443328626.db2.gz DTYHHPDPFWDYQZ-UHFFFAOYSA-N -2 1 390.378 3.389 20 0 GGADML CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000825319061 1443332446 /nfs/dbraw/zinc/33/24/46/1443332446.db2.gz 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GGADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(Br)c1 ZINC000548242758 567296713 /nfs/dbraw/zinc/29/67/13/567296713.db2.gz JDXLLNDWPGROBY-UHFFFAOYSA-N -2 1 392.177 3.226 20 0 GGADML O=C([O-])[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000548268257 567302805 /nfs/dbraw/zinc/30/28/05/567302805.db2.gz JMKUXKPYYYHEPY-AWEZNQCLSA-N -2 1 379.821 3.060 20 0 GGADML CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000592002900 567308107 /nfs/dbraw/zinc/30/81/07/567308107.db2.gz AOTPAQBDKQPZJD-JTQLQIEISA-N -2 1 379.459 3.231 20 0 GGADML Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000476288302 567311818 /nfs/dbraw/zinc/31/18/18/567311818.db2.gz ZLAXZYIFMOAYSZ-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1Cl ZINC000500319384 567313633 /nfs/dbraw/zinc/31/36/33/567313633.db2.gz WRIRJVVRTYEIKP-UHFFFAOYSA-N -2 1 376.217 3.258 20 0 GGADML CCOc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000500371389 567316113 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383.809 3.154 20 0 GGADML CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000501801247 567406478 /nfs/dbraw/zinc/40/64/78/567406478.db2.gz RIWXIWJMCWONCR-UHFFFAOYSA-N -2 1 383.809 3.016 20 0 GGADML COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436479812 567426257 /nfs/dbraw/zinc/42/62/57/567426257.db2.gz SYBRSBYFGSBIBA-UHFFFAOYSA-N -2 1 381.353 3.060 20 0 GGADML O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436476653 567426518 /nfs/dbraw/zinc/42/65/18/567426518.db2.gz JYRACFCSKOTGCO-UHFFFAOYSA-N -2 1 379.287 3.049 20 0 GGADML COc1ccc(S(=O)(=O)[N-]c2c(C)cc(OC)cc2C(=O)[O-])c(Cl)c1 ZINC000569731340 567427019 /nfs/dbraw/zinc/42/70/19/567427019.db2.gz MGUQVUBHFIPDPJ-UHFFFAOYSA-N -2 1 385.825 3.165 20 0 GGADML CCC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])CC1 ZINC000436582165 567436618 /nfs/dbraw/zinc/43/66/18/567436618.db2.gz HKJRFHMCZZDDCD-UHFFFAOYSA-N -2 1 380.491 3.175 20 0 GGADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1O ZINC000436775357 567450895 /nfs/dbraw/zinc/45/08/95/567450895.db2.gz ZTYPUKBMDYMAIY-UHFFFAOYSA-N -2 1 379.287 3.049 20 0 GGADML CCC(C)(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000436874320 567462442 /nfs/dbraw/zinc/46/24/42/567462442.db2.gz STKUPCATPMGKSC-UHFFFAOYSA-N -2 1 382.507 3.421 20 0 GGADML O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)c1 ZINC000436995485 567473642 /nfs/dbraw/zinc/47/36/42/567473642.db2.gz DJPUTOSBHWQUFR-UHFFFAOYSA-N -2 1 393.751 3.146 20 0 GGADML O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(F)(F)F ZINC000663293515 567491855 /nfs/dbraw/zinc/49/18/55/567491855.db2.gz IXYINMPIEHXWRW-SSDOTTSWSA-N -2 1 394.198 3.315 20 0 GGADML Cc1cc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)sc1Cl ZINC000663293940 567492433 /nfs/dbraw/zinc/49/24/33/567492433.db2.gz MYUMNZYEVCTTNZ-ZETCQYMHSA-N -2 1 379.809 3.032 20 0 GGADML CC1(C)C[C@]1(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000620082148 567495256 /nfs/dbraw/zinc/49/52/56/567495256.db2.gz RCIIAFXQIIQHMV-KRWDZBQOSA-N -2 1 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ZINC000504704435 567545848 /nfs/dbraw/zinc/54/58/48/567545848.db2.gz WMGDSIQXZRIFFA-GFCCVEGCSA-N -2 1 381.475 3.199 20 0 GGADML CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000438806351 567546871 /nfs/dbraw/zinc/54/68/71/567546871.db2.gz ANOCCSLPXXMYPB-UHFFFAOYSA-N -2 1 382.825 3.106 20 0 GGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)cc1Cl ZINC000438806942 567547226 /nfs/dbraw/zinc/54/72/26/567547226.db2.gz GBZDCMCRMNFUSJ-UHFFFAOYSA-N -2 1 377.809 3.229 20 0 GGADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nncs2)cc1 ZINC000439260371 567577427 /nfs/dbraw/zinc/57/74/27/567577427.db2.gz OTGKHOJVCJKTRG-UHFFFAOYSA-N -2 1 375.431 3.013 20 0 GGADML Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000480224598 567590626 /nfs/dbraw/zinc/59/06/26/567590626.db2.gz JFTKDGYDVIKJNI-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000530525639 567608069 /nfs/dbraw/zinc/60/80/69/567608069.db2.gz JXMDIUYHGXUQOO-LLVKDONJSA-N -2 1 385.791 3.281 20 0 GGADML CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1Cl ZINC000506720224 567640384 /nfs/dbraw/zinc/64/03/84/567640384.db2.gz RGLVIUDPPVIYKU-UHFFFAOYSA-N -2 1 382.825 3.106 20 0 GGADML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000531370821 567655747 /nfs/dbraw/zinc/65/57/47/567655747.db2.gz VDGYAYSFVQKASZ-UHFFFAOYSA-N -2 1 377.390 3.199 20 0 GGADML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2C)n[nH]1 ZINC000531496269 567663488 /nfs/dbraw/zinc/66/34/88/567663488.db2.gz QGOMTICCAJYIDI-UHFFFAOYSA-N -2 1 377.447 3.254 20 0 GGADML CSc1cccc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1 ZINC000481467259 567679731 /nfs/dbraw/zinc/67/97/31/567679731.db2.gz PERZKBPBINSJRL-UHFFFAOYSA-N -2 1 379.459 3.257 20 0 GGADML Cc1oc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)cc1C(=O)[O-] ZINC000645954830 567683899 /nfs/dbraw/zinc/68/38/99/567683899.db2.gz JLQVPTSBCXOMFP-LBPRGKRZSA-N -2 1 377.340 3.258 20 0 GGADML CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1Cl ZINC000507580905 567688155 /nfs/dbraw/zinc/68/81/55/567688155.db2.gz HYHVCJVCVKPPBG-UHFFFAOYSA-N -3 1 383.809 3.100 20 0 GGADML Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc(C(=O)[O-])c1 ZINC000507621947 567690307 /nfs/dbraw/zinc/69/03/07/567690307.db2.gz QBCNJFOURXDRJN-UHFFFAOYSA-N -2 1 375.324 3.393 20 0 GGADML Cc1cc(S(=O)(=O)[N-][C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c(C)o1 ZINC000646048529 567690945 /nfs/dbraw/zinc/69/09/45/567690945.db2.gz UKTBJUAGPMBDLZ-CYBMUJFWSA-N -2 1 377.340 3.177 20 0 GGADML Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cc(C(=O)[O-])c1 ZINC000507650046 567693306 /nfs/dbraw/zinc/69/33/06/567693306.db2.gz NUTUSZSMRJWJHE-UHFFFAOYSA-N -3 1 383.809 3.154 20 0 GGADML O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1Cl ZINC000442849368 567712255 /nfs/dbraw/zinc/71/22/55/567712255.db2.gz NQGAERIWGZONQF-UHFFFAOYSA-N -2 1 381.793 3.350 20 0 GGADML Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507951840 567718961 /nfs/dbraw/zinc/71/89/61/567718961.db2.gz PWAZSGXEVAHVPK-UHFFFAOYSA-N -3 1 383.809 3.154 20 0 GGADML Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000533164941 567754930 /nfs/dbraw/zinc/75/49/30/567754930.db2.gz VUEXNHPLDHGRSN-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc3ccsc32)c1 ZINC000443468962 567760031 /nfs/dbraw/zinc/76/00/31/567760031.db2.gz QGURZDDGLCZZSW-UHFFFAOYSA-N -2 1 377.399 3.099 20 0 GGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1Cl ZINC000444426768 567805452 /nfs/dbraw/zinc/80/54/52/567805452.db2.gz VIYGVXMVWHEDEA-UHFFFAOYSA-N -2 1 377.809 3.229 20 0 GGADML O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000819626105 597315739 /nfs/dbraw/zinc/31/57/39/597315739.db2.gz IDQWFFYSFGGNMD-UHFFFAOYSA-N -2 1 389.351 3.056 20 0 GGADML O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000819626258 597316065 /nfs/dbraw/zinc/31/60/65/597316065.db2.gz MTKDILZPVWMGAC-UHFFFAOYSA-N -2 1 388.214 3.016 20 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GGADML O=S(=O)([N-]c1ccccc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738342135 1425017938 /nfs/dbraw/zinc/01/79/38/1425017938.db2.gz LYDPFEVNIMRERG-UHFFFAOYSA-N -2 1 395.419 3.474 20 0 GGADML Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1-c1ncco1 ZINC000164749593 1425138593 /nfs/dbraw/zinc/13/85/93/1425138593.db2.gz PYCUQOAWSPOZAZ-UHFFFAOYSA-N -2 1 376.365 3.288 20 0 GGADML Cc1cccc(-c2nc(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])cs2)c1 ZINC000822283822 1425281595 /nfs/dbraw/zinc/28/15/95/1425281595.db2.gz FALAFDNCAKYYOJ-UHFFFAOYSA-N -2 1 392.444 3.185 20 0 GGADML C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]c1nc(CC(C)(C)C)cs1 ZINC000824739658 1425417970 /nfs/dbraw/zinc/41/79/70/1425417970.db2.gz YVLNQJGWSMPAOC-LLVKDONJSA-N -2 1 386.481 3.318 20 0 GGADML C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]c1nc(CC(C)(C)C)cs1 ZINC000824739658 1425417973 /nfs/dbraw/zinc/41/79/73/1425417973.db2.gz YVLNQJGWSMPAOC-LLVKDONJSA-N -2 1 386.481 3.318 20 0 GGADML O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1sccc1-c1nnn[n-]1 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C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000820533396 1441522688 /nfs/dbraw/zinc/52/26/88/1441522688.db2.gz DWYQXDKDMRAZKD-LURJTMIESA-N -2 1 385.236 3.036 20 0 GGADML CSc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1C ZINC000826230792 1441524253 /nfs/dbraw/zinc/52/42/53/1441524253.db2.gz KCAVQKXTRGEQQV-UHFFFAOYSA-N -2 1 395.897 3.351 20 0 GGADML CSc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1C ZINC000826230792 1441524254 /nfs/dbraw/zinc/52/42/54/1441524254.db2.gz KCAVQKXTRGEQQV-UHFFFAOYSA-N -2 1 395.897 3.351 20 0 GGADML COc1ccc(-c2nc(SCC3CCCC3)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821732925 1441538024 /nfs/dbraw/zinc/53/80/24/1441538024.db2.gz XKOHRAHAXRDXBR-UHFFFAOYSA-N -2 1 384.465 3.320 20 0 GGADML COc1ccc(-c2nc(SCC3CCCC3)[n-]c(=O)c2-c2nnn[n-]2)cc1 ZINC000821732925 1441538028 /nfs/dbraw/zinc/53/80/28/1441538028.db2.gz XKOHRAHAXRDXBR-UHFFFAOYSA-N -2 1 384.465 3.320 20 0 GGADML CSc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821983243 1441605327 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BXDHOHFTEZBWGE-UHFFFAOYSA-N -2 1 391.460 3.183 20 0 GGADML Cc1ccc(C(=O)C(=O)[N-]c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000822225240 1443526132 /nfs/dbraw/zinc/52/61/32/1443526132.db2.gz USHRVLHEPYQDOH-UHFFFAOYSA-N -2 1 390.428 3.120 20 0 GGADML O=S(=O)([N-]c1cccc2ccsc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826493188 1443552705 /nfs/dbraw/zinc/55/27/05/1443552705.db2.gz XNUOKBUEWWCVMT-UHFFFAOYSA-N -2 1 393.400 3.160 20 0 GGADML Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737289527 1443669041 /nfs/dbraw/zinc/66/90/41/1443669041.db2.gz VDCWWNSOCCHEBH-UHFFFAOYSA-N -2 1 392.444 3.038 20 0 GGADML Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737289527 1443669042 /nfs/dbraw/zinc/66/90/42/1443669042.db2.gz VDCWWNSOCCHEBH-UHFFFAOYSA-N -2 1 392.444 3.038 20 0 GGADML CCC(CC)c1nnc([N-]C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)s1 ZINC000820897907 1443813464 /nfs/dbraw/zinc/81/34/64/1443813464.db2.gz QAVTWZIELXVUAR-UHFFFAOYSA-N -2 1 379.396 3.152 20 0 GGADML O=C(Nc1nc2ccccc2s1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738211524 1443814781 /nfs/dbraw/zinc/81/47/81/1443814781.db2.gz NZMVMEGKFXLAPF-OAHLLOKOSA-N -2 1 391.460 3.084 20 0 GGADML O=C([N-]c1nc2ccccc2s1)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738211524 1443814783 /nfs/dbraw/zinc/81/47/83/1443814783.db2.gz NZMVMEGKFXLAPF-OAHLLOKOSA-N -2 1 391.460 3.084 20 0 GGADML O=C([N-]c1nc2ccccc2s1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738211524 1443814787 /nfs/dbraw/zinc/81/47/87/1443814787.db2.gz NZMVMEGKFXLAPF-OAHLLOKOSA-N -2 1 391.460 3.084 20 0 GGADML Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC000737224976 1443875787 /nfs/dbraw/zinc/87/57/87/1443875787.db2.gz JUEHEWBNLUEVBK-UHFFFAOYSA-N -2 1 399.476 3.297 20 0 GGADML C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]c1cc(-c2ccccc2F)no1 ZINC000736167375 1443894721 /nfs/dbraw/zinc/89/47/21/1443894721.db2.gz DSATXOOBQBSZFW-NSHDSACASA-N -2 1 394.366 3.067 20 0 GGADML CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000821309199 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ATEAOEHFOPEZEM-UHFFFAOYSA-N -2 1 399.476 3.205 20 0 GGADML C[C@@H](NC(=O)[N-]c1nc(-c2ccccc2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380594 1446160925 /nfs/dbraw/zinc/16/09/25/1446160925.db2.gz XDAJPCFBRAPLAV-LLVKDONJSA-N -2 1 392.448 3.268 20 0 GGADML O=S(=O)(Nc1ccccc1Nc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826493063 1446245885 /nfs/dbraw/zinc/24/58/85/1446245885.db2.gz QXEHIQFMEXWKHE-UHFFFAOYSA-N -2 1 392.444 3.411 20 0 GGADML O=S(=O)([N-]c1ccccc1Nc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826493063 1446245892 /nfs/dbraw/zinc/24/58/92/1446245892.db2.gz QXEHIQFMEXWKHE-UHFFFAOYSA-N -2 1 392.444 3.411 20 0 GGADML O=S(=O)([N-]c1ccccc1Nc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826493063 1446245893 /nfs/dbraw/zinc/24/58/93/1446245893.db2.gz QXEHIQFMEXWKHE-UHFFFAOYSA-N -2 1 392.444 3.411 20 0 GGADML O=C(COc1ccccc1F)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826418922 1446304164 /nfs/dbraw/zinc/30/41/64/1446304164.db2.gz BLKADAPAVHLQFB-UHFFFAOYSA-N -2 1 396.407 3.147 20 0 GGADML O=C(COc1ccccc1F)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826418922 1446304167 /nfs/dbraw/zinc/30/41/67/1446304167.db2.gz BLKADAPAVHLQFB-UHFFFAOYSA-N -2 1 396.407 3.147 20 0 GGADML Cc1nc(NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)sc1C ZINC000737480357 1446413925 /nfs/dbraw/zinc/41/39/25/1446413925.db2.gz NZXHBJWUDMENQA-VIFPVBQESA-N -2 1 378.458 3.198 20 0 GGADML Cc1cc([N-]C(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)on1 ZINC000826269675 1446449934 /nfs/dbraw/zinc/44/99/34/1446449934.db2.gz SSHBULRHAOUGOK-MRVPVSSYSA-N -2 1 398.370 3.301 20 0 GGADML Cc1cc([N-]C(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)on1 ZINC000826269675 1446449938 /nfs/dbraw/zinc/44/99/38/1446449938.db2.gz SSHBULRHAOUGOK-MRVPVSSYSA-N -2 1 398.370 3.301 20 0 GGADML CC(C)c1cnc([N-]C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)s1 ZINC000735931776 1446763659 /nfs/dbraw/zinc/76/36/59/1446763659.db2.gz DSZUTAZDTQHCIH-OAHLLOKOSA-N -2 1 386.481 3.489 20 0 GGADML CC(C)c1cnc([N-]C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)s1 ZINC000735931776 1446763662 /nfs/dbraw/zinc/76/36/62/1446763662.db2.gz DSZUTAZDTQHCIH-OAHLLOKOSA-N -2 1 386.481 3.489 20 0 GGADML O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822978554 1446920330 /nfs/dbraw/zinc/92/03/30/1446920330.db2.gz LLQGNPUJYPCOGU-UHFFFAOYSA-N -2 1 378.219 3.450 20 0 GGADML CC(C)(CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)C(=O)[O-] ZINC000735664614 1446943832 /nfs/dbraw/zinc/94/38/32/1446943832.db2.gz LZZNAOKDDBCLHG-UHFFFAOYSA-N -2 1 377.470 3.027 20 0 GGADML CCc1cc(=O)[nH]c(-c2ccc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)nc2)n1 ZINC000821469624 1446970159 /nfs/dbraw/zinc/97/01/59/1446970159.db2.gz HNJAXUQOVGFENE-GFCCVEGCSA-N -2 1 388.435 3.160 20 0 GGADML C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000824737517 1447184704 /nfs/dbraw/zinc/18/47/04/1447184704.db2.gz HPVHAZQZELFHBL-LLVKDONJSA-N -2 1 399.480 3.172 20 0 GGADML O=C(CC1CCC1)[N-]c1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822941550 1447211730 /nfs/dbraw/zinc/21/17/30/1447211730.db2.gz ZLTCJNFUVJWNCJ-UHFFFAOYSA-N -2 1 387.494 3.139 20 0 GGADML Cc1cc2nc([N-]C(=O)CSCc3ccc(-c4nnn[n-]4)cc3)oc2c(C)c1 ZINC000822196388 1447327522 /nfs/dbraw/zinc/32/75/22/1447327522.db2.gz HOBICMRAPFJSBK-UHFFFAOYSA-N -2 1 394.460 3.497 20 0 GGADML Cc1cc2nc([N-]C(=O)CSCc3ccc(-c4nn[n-]n4)cc3)oc2c(C)c1 ZINC000822196388 1447327524 /nfs/dbraw/zinc/32/75/24/1447327524.db2.gz HOBICMRAPFJSBK-UHFFFAOYSA-N -2 1 394.460 3.497 20 0 GGADML Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1scnc1-c1ccccc1 ZINC000826279949 1449214542 /nfs/dbraw/zinc/21/45/42/1449214542.db2.gz JAZOZHMIVRPFGY-UHFFFAOYSA-N -2 1 398.473 3.099 20 0 GGADML Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000826255606 1449469382 /nfs/dbraw/zinc/46/93/82/1449469382.db2.gz DHHGRRGFMHJWRV-UHFFFAOYSA-N -2 1 398.473 3.099 20 0 GGADML C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000820533582 1449475704 /nfs/dbraw/zinc/47/57/04/1449475704.db2.gz GFVRAXMZKMCBOW-LURJTMIESA-N -2 1 385.236 3.036 20 0 GGADML C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000820533582 1449475711 /nfs/dbraw/zinc/47/57/11/1449475711.db2.gz GFVRAXMZKMCBOW-LURJTMIESA-N -2 1 385.236 3.036 20 0 GGADML Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc2oc(C(C)C)nc2c1 ZINC000737225460 1449938305 /nfs/dbraw/zinc/93/83/05/1449938305.db2.gz NVCFVVDMFOFQBW-UHFFFAOYSA-N -2 1 398.448 3.241 20 0 GGADML Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc2oc(C(C)C)nc2c1 ZINC000737225460 1449938310 /nfs/dbraw/zinc/93/83/10/1449938310.db2.gz NVCFVVDMFOFQBW-UHFFFAOYSA-N -2 1 398.448 3.241 20 0 GGADML CCN(C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1CCC1 ZINC000736506339 1449981855 /nfs/dbraw/zinc/98/18/55/1449981855.db2.gz UVLOXPJUBVDSDG-UHFFFAOYSA-N -2 1 383.481 3.320 20 0 GGADML O=C(CCOc1cccc(Cl)c1Cl)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826408049 1450038028 /nfs/dbraw/zinc/03/80/28/1450038028.db2.gz NOKPVOCTQSYTGE-UHFFFAOYSA-N -2 1 394.218 3.287 20 0 GGADML CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826230457 1450078776 /nfs/dbraw/zinc/07/87/76/1450078776.db2.gz VDLNWOILLDXAQQ-UHFFFAOYSA-N -2 1 395.897 3.351 20 0 GGADML CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826230457 1450078781 /nfs/dbraw/zinc/07/87/81/1450078781.db2.gz VDLNWOILLDXAQQ-UHFFFAOYSA-N -2 1 395.897 3.351 20 0 GGADML CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000735922468 1450154641 /nfs/dbraw/zinc/15/46/41/1450154641.db2.gz KAFZTAZGALUHDI-UHFFFAOYSA-N -2 1 389.419 3.134 20 0 GGADML CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736463892 1450499055 /nfs/dbraw/zinc/49/90/55/1450499055.db2.gz SDAWLIXQSVCFDX-UHFFFAOYSA-N -2 1 387.465 3.155 20 0 GGADML O=S(=O)([N-]c1ccccc1-c1nnn[n-]1)c1ccc(Cl)c2ccccc21 ZINC000826492957 1450526514 /nfs/dbraw/zinc/52/65/14/1450526514.db2.gz NAFMFRCNUFVPHE-UHFFFAOYSA-N -2 1 385.836 3.474 20 0 GGADML CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000761585555 939067033 /nfs/dbraw/zinc/06/70/33/939067033.db2.gz OPHSIKDDXJGTID-OAHLLOKOSA-N -2 1 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1425822460 /nfs/dbraw/zinc/82/24/60/1425822460.db2.gz IZAYKCSXGIJCBK-UHFFFAOYSA-N -2 1 383.166 3.375 20 0 GGADML Cc1cc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000172601820 1426108655 /nfs/dbraw/zinc/10/86/55/1426108655.db2.gz NABILEFDILWXEH-QMMMGPOBSA-N -2 1 393.230 3.130 20 0 GGADML CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821487076 1426207998 /nfs/dbraw/zinc/20/79/98/1426207998.db2.gz PVMOYRHJSVTLOA-UHFFFAOYSA-N -2 1 397.382 3.249 20 0 GGADML CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821487076 1426208003 /nfs/dbraw/zinc/20/80/03/1426208003.db2.gz PVMOYRHJSVTLOA-UHFFFAOYSA-N -2 1 397.382 3.249 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(Cl)cc1Br ZINC000823294592 1426297718 /nfs/dbraw/zinc/29/77/18/1426297718.db2.gz IWAZRZDGFQFOTD-UHFFFAOYSA-N -2 1 394.616 3.241 20 0 GGADML C[C@@H](Sc1ccccc1Cl)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000820556918 1426601543 /nfs/dbraw/zinc/60/15/43/1426601543.db2.gz 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ZINC000175101517 1427547219 /nfs/dbraw/zinc/54/72/19/1427547219.db2.gz IOWUMATZVBTHLM-FZKQIMNGSA-N -2 1 392.459 3.254 20 0 GGADML O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826492291 1427851887 /nfs/dbraw/zinc/85/18/87/1427851887.db2.gz BEIJMRKJXVALDG-UHFFFAOYSA-N -2 1 375.841 3.198 20 0 GGADML O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826492291 1427851891 /nfs/dbraw/zinc/85/18/91/1427851891.db2.gz BEIJMRKJXVALDG-UHFFFAOYSA-N -2 1 375.841 3.198 20 0 GGADML CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1-c1nnn[n-]1 ZINC000820178496 1429907430 /nfs/dbraw/zinc/90/74/30/1429907430.db2.gz RRSXPYGZVHBDID-UHFFFAOYSA-N -2 1 399.885 3.170 20 0 GGADML O=C([O-])Nc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc(C(F)(F)F)c1 ZINC000833284547 1430164455 /nfs/dbraw/zinc/16/44/55/1430164455.db2.gz VMNFDGFZKZNCKT-UHFFFAOYSA-N -2 1 392.297 3.228 20 0 GGADML O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]c1nnc(CC2CCCCC2)s1 ZINC000737798100 1430177672 /nfs/dbraw/zinc/17/76/72/1430177672.db2.gz 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Cc1c(=O)[n-]c(SCc2nc(=O)c3sccc3[n-]2)nc1-c1ccccc1 ZINC000185048208 1431049052 /nfs/dbraw/zinc/04/90/52/1431049052.db2.gz RKEDIQYTMZUQLL-UHFFFAOYSA-N -2 1 382.470 3.336 20 0 GGADML Cc1cc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000253546938 1433868766 /nfs/dbraw/zinc/86/87/66/1433868766.db2.gz IERRLUDPGSMTRW-NFAWXSAZSA-N -2 1 378.432 3.151 20 0 GGADML Cc1ccc([C@H]2CCCCCN2C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)o1 ZINC000266925867 1434389289 /nfs/dbraw/zinc/38/92/89/1434389289.db2.gz XNOLVINJMNDZLC-CQSZACIVSA-N -2 1 382.420 3.403 20 0 GGADML CCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1C(=O)[O-] ZINC000269705726 1434670885 /nfs/dbraw/zinc/67/08/85/1434670885.db2.gz ZVTOOAXXQYTVGZ-UHFFFAOYSA-N -2 1 390.461 3.343 20 0 GGADML O=C(CCc1ccc(-c2ccccc2)o1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822974558 1441869901 /nfs/dbraw/zinc/86/99/01/1441869901.db2.gz RMDXEEIQVGZSMP-UHFFFAOYSA-N -2 1 375.388 3.404 20 0 GGADML CC(C)Oc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1-c1nnn[n-]1 ZINC000820161629 1442025779 /nfs/dbraw/zinc/02/57/79/1442025779.db2.gz YYSVFYIZXAEUNI-UHFFFAOYSA-N -2 1 387.440 3.018 20 0 GGADML CC(C)[C@@H](C)C(=O)[N-]c1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735704109 1442220697 /nfs/dbraw/zinc/22/06/97/1442220697.db2.gz ZXLVXPMNLQOIIG-SNVBAGLBSA-N -2 1 389.510 3.241 20 0 GGADML CC(C)(CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C(=O)[O-] ZINC000735664689 1442316579 /nfs/dbraw/zinc/31/65/79/1442316579.db2.gz ODIXLYAURCXJDD-UHFFFAOYSA-N -2 1 381.392 3.098 20 0 GGADML CSCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737181889 1443104214 /nfs/dbraw/zinc/10/42/14/1443104214.db2.gz MSVFOVCMWIKYMC-UHFFFAOYSA-N -2 1 395.897 3.184 20 0 GGADML CSCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737181889 1443104217 /nfs/dbraw/zinc/10/42/17/1443104217.db2.gz MSVFOVCMWIKYMC-UHFFFAOYSA-N -2 1 395.897 3.184 20 0 GGADML CCOc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1C ZINC000736626936 1443152865 /nfs/dbraw/zinc/15/28/65/1443152865.db2.gz UTUNMCJXWVYKOP-UHFFFAOYSA-N -2 1 393.856 3.028 20 0 GGADML CCOc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1C ZINC000736626936 1443152869 /nfs/dbraw/zinc/15/28/69/1443152869.db2.gz UTUNMCJXWVYKOP-UHFFFAOYSA-N -2 1 393.856 3.028 20 0 GGADML CC(C)c1nnc([N-]C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)s1 ZINC000824364736 1443180184 /nfs/dbraw/zinc/18/01/84/1443180184.db2.gz SFORNLGUDJAKRG-UHFFFAOYSA-N -2 1 384.252 3.401 20 0 GGADML COc1cc(C2(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])CCCC2)ccc1C ZINC000826179046 1443222661 /nfs/dbraw/zinc/22/26/61/1443222661.db2.gz WWMPNOUILLQCID-UHFFFAOYSA-N -2 1 393.447 3.340 20 0 GGADML O=C(CC(c1ccccc1)c1ccccc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822936675 1443316624 /nfs/dbraw/zinc/31/66/24/1443316624.db2.gz WYWRCIYMTDUZDM-UHFFFAOYSA-N -2 1 376.445 3.484 20 0 GGADML O=S(=O)([N-]c1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)sc1Cl ZINC000826492960 1443334593 /nfs/dbraw/zinc/33/45/93/1443334593.db2.gz NELFPKQZCCVKIS-UHFFFAOYSA-N -2 1 394.240 3.175 20 0 GGADML Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000737223617 1443374782 /nfs/dbraw/zinc/37/47/82/1443374782.db2.gz AOMFEXNAHVMUBD-UHFFFAOYSA-N -2 1 384.248 3.283 20 0 GGADML Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000737223617 1443374786 /nfs/dbraw/zinc/37/47/86/1443374786.db2.gz AOMFEXNAHVMUBD-UHFFFAOYSA-N -2 1 384.248 3.283 20 0 GGADML Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccnc1-c1ccccc1 ZINC000826256108 1443384201 /nfs/dbraw/zinc/38/42/01/1443384201.db2.gz VFYHHTZQNAFSFH-UHFFFAOYSA-N -2 1 392.444 3.038 20 0 GGADML O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000738221282 1443385309 /nfs/dbraw/zinc/38/53/09/1443385309.db2.gz FVSYSYPHKJIRMC-UHFFFAOYSA-N -2 1 395.202 3.115 20 0 GGADML O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000738221282 1443385313 /nfs/dbraw/zinc/38/53/13/1443385313.db2.gz FVSYSYPHKJIRMC-UHFFFAOYSA-N -2 1 395.202 3.115 20 0 GGADML Cc1nc(-c2cccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])c2)cs1 ZINC000822419781 1443605476 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CSCCc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000601979038 566435710 /nfs/dbraw/zinc/43/57/10/566435710.db2.gz BEMZFGXXXBQNIW-UHFFFAOYSA-N -2 1 379.503 3.410 20 0 GGADML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000484586430 566438702 /nfs/dbraw/zinc/43/87/02/566438702.db2.gz RSTUGHBMNDWWEP-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000577609508 566450227 /nfs/dbraw/zinc/45/02/27/566450227.db2.gz ZWIJDUWGISCOFT-UHFFFAOYSA-N -2 1 377.857 3.444 20 0 GGADML CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)[O-] ZINC000485053957 566472451 /nfs/dbraw/zinc/47/24/51/566472451.db2.gz MOCSYMUBUIUUFT-VIFPVBQESA-N -2 1 384.317 3.068 20 0 GGADML Cc1c(Br)cccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485269707 566487301 /nfs/dbraw/zinc/48/73/01/566487301.db2.gz JVTUELWCWMSSMB-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000485264450 566488370 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600889000 /nfs/dbraw/zinc/88/90/00/600889000.db2.gz XAIJCJROLIKYPR-UHFFFAOYSA-N -2 1 385.445 3.297 20 0 GGADML CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000285210750 600889828 /nfs/dbraw/zinc/88/98/28/600889828.db2.gz UDGJCYQRONSICI-UHFFFAOYSA-N -2 1 393.461 3.047 20 0 GGADML Cc1cc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)ccc1C(=O)[O-] ZINC000506707986 600890164 /nfs/dbraw/zinc/89/01/64/600890164.db2.gz PIJJUCMRWPCXEZ-UHFFFAOYSA-N -2 1 388.367 3.468 20 0 GGADML CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000506717914 600890224 /nfs/dbraw/zinc/89/02/24/600890224.db2.gz FRJVKKMKOZKRTC-ZDUSSCGKSA-N -2 1 390.461 3.022 20 0 GGADML COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000737643108 600890642 /nfs/dbraw/zinc/89/06/42/600890642.db2.gz KOYVUUOQILDCJT-UHFFFAOYSA-N -2 1 384.797 3.017 20 0 GGADML COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000737634324 600890690 /nfs/dbraw/zinc/89/06/90/600890690.db2.gz SCFVCIIHEOIDNF-UHFFFAOYSA-N 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CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000525331057 600899624 /nfs/dbraw/zinc/89/96/24/600899624.db2.gz BJYMZWGCSYLPKD-UHFFFAOYSA-N -2 1 391.445 3.011 20 0 GGADML COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c1OC ZINC000737857336 600900076 /nfs/dbraw/zinc/90/00/76/600900076.db2.gz BLIAYBGDNWJLLH-BQYQJAHWSA-N -2 1 397.836 3.468 20 0 GGADML O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)nc2)c1 ZINC000833296861 600979848 /nfs/dbraw/zinc/97/98/48/600979848.db2.gz AUXCUANNKGZFFJ-UHFFFAOYSA-N -2 1 395.868 3.224 20 0 GGADML O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1 ZINC000460836112 601048970 /nfs/dbraw/zinc/04/89/70/601048970.db2.gz OWSAJYPFQPBPPA-UHFFFAOYSA-N -2 1 389.351 3.056 20 0 GGADML COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1C(=O)[O-] ZINC000460836914 601049412 /nfs/dbraw/zinc/04/94/12/601049412.db2.gz NBMXYOWBGGTQIP-UHFFFAOYSA-N -2 1 389.351 3.299 20 0 GGADML C[C@@H](CN(Cc1ccccc1)Cn1[n-]c(-c2ccccn2)nc1=S)C(=O)[O-] ZINC000736581596 601089271 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3.025 20 0 GGADML COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000776435085 601319519 /nfs/dbraw/zinc/31/95/19/601319519.db2.gz XZPWLYCBJLQAPG-RUDMXATFSA-N -2 1 395.820 3.025 20 0 GGADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)c1C ZINC000024576200 601320748 /nfs/dbraw/zinc/32/07/48/601320748.db2.gz QXUYWWXQZSLKNZ-UHFFFAOYSA-N -2 1 399.428 3.385 20 0 GGADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)c1C ZINC000031669191 601320976 /nfs/dbraw/zinc/32/09/76/601320976.db2.gz WWGGYJUCMYGTKG-UHFFFAOYSA-N -2 1 390.461 3.397 20 0 GGADML Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(/C=C\C(=O)[O-])cc3)c2)n1 ZINC000833009092 601322040 /nfs/dbraw/zinc/32/20/40/601322040.db2.gz BEZNQCCVIVJWBX-YFHOEESVSA-N -2 1 395.440 3.351 20 0 GGADML COC(=O)c1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)ccc1Cl ZINC000831327733 601322263 /nfs/dbraw/zinc/32/22/63/601322263.db2.gz NDFCWHWBOJWSNZ-RUDMXATFSA-N -2 1 395.820 3.025 20 0 GGADML Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2)co1 ZINC000738335777 601322311 /nfs/dbraw/zinc/32/23/11/601322311.db2.gz YEWXMJRGXJDHMX-UHFFFAOYSA-N -2 1 376.365 3.288 20 0 GGADML CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000326660750 601322551 /nfs/dbraw/zinc/32/25/51/601322551.db2.gz IXSIULDNEOGSJB-DHZHZOJOSA-N -2 1 380.853 3.305 20 0 GGADML CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000615946536 601323410 /nfs/dbraw/zinc/32/34/10/601323410.db2.gz LCLNOOBBEOZPOL-UHFFFAOYSA-N -2 1 376.434 3.069 20 0 GGADML Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000738280500 601323491 /nfs/dbraw/zinc/32/34/91/601323491.db2.gz NQJMPSUTESAUOP-UHFFFAOYSA-N -2 1 394.424 3.228 20 0 GGADML CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C ZINC000737808947 601327192 /nfs/dbraw/zinc/32/71/92/601327192.db2.gz NXMPSZBYBAGNRO-UHFFFAOYSA-N -2 1 394.424 3.372 20 0 GGADML COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000067946048 601329425 /nfs/dbraw/zinc/32/94/25/601329425.db2.gz RIDXAGPYEHKRJZ-UHFFFAOYSA-N -2 1 393.314 3.352 20 0 GGADML Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2)n1 ZINC000734415723 601331492 /nfs/dbraw/zinc/33/14/92/601331492.db2.gz FXCSERQTPLNRTH-UHFFFAOYSA-N -2 1 387.392 3.090 20 0 GGADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)ccc1F ZINC000316709016 601331792 /nfs/dbraw/zinc/33/17/92/601331792.db2.gz GIHQXBHPEHFDPY-UHFFFAOYSA-N -2 1 392.177 3.226 20 0 GGADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC000524813516 601332602 /nfs/dbraw/zinc/33/26/02/601332602.db2.gz WPQMERBTPFYZMZ-UHFFFAOYSA-N -3 1 391.445 3.165 20 0 GGADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)ccc1F ZINC000738678749 601332998 /nfs/dbraw/zinc/33/29/98/601332998.db2.gz LSJSMTRCEBJDCV-UHFFFAOYSA-N -2 1 377.315 3.430 20 0 GGADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c(F)cc1F ZINC000833303987 601335761 /nfs/dbraw/zinc/33/57/61/601335761.db2.gz DSQHHSWQFZQAKE-UHFFFAOYSA-N -2 1 383.706 3.395 20 0 GGADML CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000016127312 601357152 /nfs/dbraw/zinc/35/71/52/601357152.db2.gz WQFSIQZXDMHZNS-UHFFFAOYSA-N -2 1 388.367 3.270 20 0 GGADML CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000326489066 601359764 /nfs/dbraw/zinc/35/97/64/601359764.db2.gz PZMYFSPNFVBTAA-YHYXMXQVSA-N -2 1 380.853 3.305 20 0 GGADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)nc2)c1C ZINC000832868291 601360631 /nfs/dbraw/zinc/36/06/31/601360631.db2.gz MADQZDSMAIWVEN-UHFFFAOYSA-N -2 1 389.477 3.188 20 0 GGADML O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2ncc[nH]2)cc1 ZINC000833317829 601363336 /nfs/dbraw/zinc/36/33/36/601363336.db2.gz KMVWHRUDANMSEG-UHFFFAOYSA-N -2 1 377.809 3.229 20 0 GGADML O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1 ZINC000833297803 601388643 /nfs/dbraw/zinc/38/86/43/601388643.db2.gz VPTFEZXVRXPARS-UHFFFAOYSA-N -2 1 379.821 3.358 20 0 GGADML 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QUWRSIUPAYUYCX-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000318554162 565597445 /nfs/dbraw/zinc/59/74/45/565597445.db2.gz MWYQTDIKOOFBQE-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)ccc1C(=O)[O-] ZINC000319569079 565599158 /nfs/dbraw/zinc/59/91/58/565599158.db2.gz IFHKMEWOJAFWGB-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000319628061 565599243 /nfs/dbraw/zinc/59/92/43/565599243.db2.gz ZDZNLRXMPWGKAV-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000323082026 565613065 /nfs/dbraw/zinc/61/30/65/565613065.db2.gz UMHKLAFQTZWXDK-SCZZXKLOSA-N -2 1 384.256 3.444 20 0 GGADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1F ZINC000327623275 565632080 /nfs/dbraw/zinc/63/20/80/565632080.db2.gz NQZJHGHRXDYXPH-UHFFFAOYSA-N -2 1 379.287 3.223 20 0 GGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1Cl ZINC000327984816 565634412 /nfs/dbraw/zinc/63/44/12/565634412.db2.gz BLLBNWMVJONAJP-UHFFFAOYSA-N -2 1 383.809 3.000 20 0 GGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1F ZINC000328059043 565634977 /nfs/dbraw/zinc/63/49/77/565634977.db2.gz PBLFEWBPZYQLRN-UHFFFAOYSA-N -2 1 378.406 3.448 20 0 GGADML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000191878770 565639340 /nfs/dbraw/zinc/63/93/40/565639340.db2.gz TVYHOBMFFHKWQL-UHFFFAOYSA-N -2 1 396.165 3.128 20 0 GGADML O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410363678 565679492 /nfs/dbraw/zinc/67/94/92/565679492.db2.gz KCVREXTXHREXJB-UHFFFAOYSA-N -2 1 392.177 3.226 20 0 GGADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2F)c(F)c1 ZINC000410384544 565680864 /nfs/dbraw/zinc/68/08/64/565680864.db2.gz SPNXCLRSMAASQU-UHFFFAOYSA-N -2 1 392.177 3.226 20 0 GGADML Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000192701164 565706321 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YBWCUDQDQFWFTB-QMMMGPOBSA-N -2 1 378.219 3.370 20 0 GGADML Cc1c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822121890 1443570740 /nfs/dbraw/zinc/57/07/40/1443570740.db2.gz IAOBTEWZRLJWRC-UHFFFAOYSA-N -2 1 384.248 3.283 20 0 GGADML Cc1c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822121890 1443570746 /nfs/dbraw/zinc/57/07/46/1443570746.db2.gz IAOBTEWZRLJWRC-UHFFFAOYSA-N -2 1 384.248 3.283 20 0 GGADML O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826423709 1443602193 /nfs/dbraw/zinc/60/21/93/1443602193.db2.gz CBWKCJHWUDOORK-UHFFFAOYSA-N -2 1 396.407 3.016 20 0 GGADML Cc1ccccc1OCC(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826307331 1443638176 /nfs/dbraw/zinc/63/81/76/1443638176.db2.gz DIKNHOHIWRVEIA-UHFFFAOYSA-N -2 1 392.444 3.316 20 0 GGADML Cc1ccccc1OCC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826307331 1443638182 /nfs/dbraw/zinc/63/81/82/1443638182.db2.gz DIKNHOHIWRVEIA-UHFFFAOYSA-N -2 1 392.444 3.316 20 0 GGADML Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Nc1cccc(OC2CCCC2)c1 ZINC000737224844 1443833947 /nfs/dbraw/zinc/83/39/47/1443833947.db2.gz IGOVQBJKYJVSCA-UHFFFAOYSA-N -2 1 399.476 3.297 20 0 GGADML Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000737224844 1443833950 /nfs/dbraw/zinc/83/39/50/1443833950.db2.gz IGOVQBJKYJVSCA-UHFFFAOYSA-N -2 1 399.476 3.297 20 0 GGADML Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000737224844 1443833953 /nfs/dbraw/zinc/83/39/53/1443833953.db2.gz IGOVQBJKYJVSCA-UHFFFAOYSA-N -2 1 399.476 3.297 20 0 GGADML CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000824333787 1446144450 /nfs/dbraw/zinc/14/44/50/1446144450.db2.gz MNJPTGLMNJUIBA-UHFFFAOYSA-N -2 1 393.856 3.108 20 0 GGADML Cc1nc(SCc2ccc(-c3nn[n-]n3)cc2Br)[nH]c(=O)c1C ZINC000826327850 1446246427 /nfs/dbraw/zinc/24/64/27/1446246427.db2.gz WMTPHVKUOATZRF-UHFFFAOYSA-N -2 1 393.270 3.034 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccccc1COc1ccccc1 ZINC000826451237 1446329555 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GGADML CCCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821049542 1446982954 /nfs/dbraw/zinc/98/29/54/1446982954.db2.gz KYWWMAJZDWXZLG-SFHVURJKSA-N -2 1 393.513 3.058 20 0 GGADML Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822449898 1446996721 /nfs/dbraw/zinc/99/67/21/1446996721.db2.gz UEBFIESCWKJENT-UHFFFAOYSA-N -2 1 392.444 3.180 20 0 GGADML Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822122138 1447123948 /nfs/dbraw/zinc/12/39/48/1447123948.db2.gz KDPWUMNEGDUUNH-UHFFFAOYSA-N -2 1 384.248 3.283 20 0 GGADML Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822122138 1447123953 /nfs/dbraw/zinc/12/39/53/1447123953.db2.gz KDPWUMNEGDUUNH-UHFFFAOYSA-N -2 1 384.248 3.283 20 0 GGADML C[C@@H]1CC[C@H](CCC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)O1 ZINC000820689665 1447328228 /nfs/dbraw/zinc/32/82/28/1447328228.db2.gz AOMHWLBBNLNKPS-BXUZGUMPSA-N -2 1 384.465 3.276 20 0 GGADML CSc1ccc(C)c(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826230420 1449178086 /nfs/dbraw/zinc/17/80/86/1449178086.db2.gz SJCDBTPQNCHIMW-UHFFFAOYSA-N -2 1 375.479 3.006 20 0 GGADML CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826230420 1449178089 /nfs/dbraw/zinc/17/80/89/1449178089.db2.gz SJCDBTPQNCHIMW-UHFFFAOYSA-N -2 1 375.479 3.006 20 0 GGADML CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826230420 1449178095 /nfs/dbraw/zinc/17/80/95/1449178095.db2.gz SJCDBTPQNCHIMW-UHFFFAOYSA-N -2 1 375.479 3.006 20 0 GGADML CC(C)c1csc([N-]C(=O)[C@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735939256 1449313484 /nfs/dbraw/zinc/31/34/84/1449313484.db2.gz MHMSGHMMXROGGH-OAHLLOKOSA-N -2 1 383.481 3.054 20 0 GGADML COc1ccc(C2(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])CCCC2)cc1 ZINC000826189735 1449593480 /nfs/dbraw/zinc/59/34/80/1449593480.db2.gz CYLWSQLIGZZPFQ-UHFFFAOYSA-N -2 1 379.420 3.031 20 0 GGADML O=C(c1c([O-])cccc1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826468696 1449704883 /nfs/dbraw/zinc/70/48/83/1449704883.db2.gz DDZJRHKQBVJYAC-UHFFFAOYSA-N -2 1 381.823 3.155 20 0 GGADML O=C(c1c([O-])cccc1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826468696 1449704884 /nfs/dbraw/zinc/70/48/84/1449704884.db2.gz DDZJRHKQBVJYAC-UHFFFAOYSA-N -2 1 381.823 3.155 20 0 GGADML CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000821308870 1449842705 /nfs/dbraw/zinc/84/27/05/1449842705.db2.gz GPBXKDGGCGQZQJ-UHFFFAOYSA-N -2 1 392.872 3.061 20 0 GGADML CCNc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000821308870 1449842711 /nfs/dbraw/zinc/84/27/11/1449842711.db2.gz GPBXKDGGCGQZQJ-UHFFFAOYSA-N -2 1 392.872 3.061 20 0 GGADML Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Nc1cccc(SC(F)F)c1 ZINC000737300644 1449892004 /nfs/dbraw/zinc/89/20/04/1449892004.db2.gz DNIPSLWUEUGPFL-UHFFFAOYSA-N -2 1 397.432 3.291 20 0 GGADML Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccc(SC(F)F)c1 ZINC000737300644 1449892008 /nfs/dbraw/zinc/89/20/08/1449892008.db2.gz DNIPSLWUEUGPFL-UHFFFAOYSA-N -2 1 397.432 3.291 20 0 GGADML Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cccc(SC(F)F)c1 ZINC000737300644 1449892014 /nfs/dbraw/zinc/89/20/14/1449892014.db2.gz DNIPSLWUEUGPFL-UHFFFAOYSA-N -2 1 397.432 3.291 20 0 GGADML Cc1ccsc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822378940 1450039828 /nfs/dbraw/zinc/03/98/28/1450039828.db2.gz HYUIZTALECZDKX-UHFFFAOYSA-N -2 1 389.384 3.056 20 0 GGADML Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000822230304 1450068746 /nfs/dbraw/zinc/06/87/46/1450068746.db2.gz CCKKRPXHSOYYQL-UHFFFAOYSA-N -2 1 397.382 3.303 20 0 GGADML CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000820121263 1450154852 /nfs/dbraw/zinc/15/48/52/1450154852.db2.gz OEFXJJTZVQGYEQ-UHFFFAOYSA-N -2 1 394.460 3.347 20 0 GGADML Cc1cccc(OCC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826300105 1450166584 /nfs/dbraw/zinc/16/65/84/1450166584.db2.gz IUPHJNZCHDYRNC-UHFFFAOYSA-N -2 1 392.444 3.316 20 0 GGADML Cc1cccc(OCC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826300105 1450166588 /nfs/dbraw/zinc/16/65/88/1450166588.db2.gz IUPHJNZCHDYRNC-UHFFFAOYSA-N -2 1 392.444 3.316 20 0 GGADML Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000737225670 1450265314 /nfs/dbraw/zinc/26/53/14/1450265314.db2.gz QCLKCJNGGHEOJA-UHFFFAOYSA-N -2 1 397.432 3.291 20 0 GGADML Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000737225670 1450265315 /nfs/dbraw/zinc/26/53/15/1450265315.db2.gz QCLKCJNGGHEOJA-UHFFFAOYSA-N -2 1 397.432 3.291 20 0 GGADML Cc1cc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2C)c(Cl)cc1F ZINC000822211624 1450287484 /nfs/dbraw/zinc/28/74/84/1450287484.db2.gz IBHSQJOAAKFSTL-UHFFFAOYSA-N -2 1 381.820 3.077 20 0 GGADML CN(c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000821619172 1450325604 /nfs/dbraw/zinc/32/56/04/1450325604.db2.gz LTFRJVNBRIJZGC-UHFFFAOYSA-N -2 1 398.492 3.046 20 0 GGADML CN(c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000821619172 1450325606 /nfs/dbraw/zinc/32/56/06/1450325606.db2.gz LTFRJVNBRIJZGC-UHFFFAOYSA-N -2 1 398.492 3.046 20 0 GGADML Cc1c2nc(NC(=O)[C@H](C)Oc3ccccc3-c3nn[n-]n3)sc2ccc1F ZINC000822034374 1450377633 /nfs/dbraw/zinc/37/76/33/1450377633.db2.gz AHFOCAYVGUVWGB-JTQLQIEISA-N -2 1 398.423 3.330 20 0 GGADML Cc1c2nc([N-]C(=O)[C@H](C)Oc3ccccc3-c3nnn[n-]3)sc2ccc1F ZINC000822034374 1450377637 /nfs/dbraw/zinc/37/76/37/1450377637.db2.gz AHFOCAYVGUVWGB-JTQLQIEISA-N -2 1 398.423 3.330 20 0 GGADML Cc1c2nc([N-]C(=O)[C@H](C)Oc3ccccc3-c3nn[n-]n3)sc2ccc1F ZINC000822034374 1450377638 /nfs/dbraw/zinc/37/76/38/1450377638.db2.gz AHFOCAYVGUVWGB-JTQLQIEISA-N -2 1 398.423 3.330 20 0 GGADML CC(C)[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820039472 1450462742 /nfs/dbraw/zinc/46/27/42/1450462742.db2.gz XHORVQPRDKTYCP-HNNXBMFYSA-N -2 1 397.508 3.424 20 0 GGADML CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000761585553 939067010 /nfs/dbraw/zinc/06/70/10/939067010.db2.gz OPHSIKDDXJGTID-HNNXBMFYSA-N -2 1 385.313 3.397 20 0 GGADML Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc([C@@H](C)C(=O)[O-])no2)cc1 ZINC001611203779 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CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC001589190133 985590432 /nfs/dbraw/zinc/59/04/32/985590432.db2.gz XTZYCANCAPHMFG-UHFFFAOYSA-N -2 1 382.825 3.106 20 0 GGADML CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(=O)[O-])cc1F ZINC001589204185 985658585 /nfs/dbraw/zinc/65/85/85/985658585.db2.gz MPOQCJPTMQJETK-UHFFFAOYSA-N -2 1 394.424 3.407 20 0 GGADML Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n[nH]c1-c1ccccc1 ZINC001599969321 985975857 /nfs/dbraw/zinc/97/58/57/985975857.db2.gz DZINCCIKRYEWTL-UHFFFAOYSA-N -2 1 393.371 3.162 20 0 GGADML Cc1c([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)[nH]nc1-c1ccccc1 ZINC001599969700 985983587 /nfs/dbraw/zinc/98/35/87/985983587.db2.gz QUNLKMWQKMTRLJ-XFXZXTDPSA-N -2 1 383.429 3.284 20 0 GGADML CC(=O)c1ccc([N-]S(=O)(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC001589290902 986030761 /nfs/dbraw/zinc/03/07/61/986030761.db2.gz FZTBFXYDNAUANG-HNNXBMFYSA-N -2 1 381.837 3.153 20 0 GGADML CCOc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc(Cl)c1[O-] ZINC001596999474 986307614 /nfs/dbraw/zinc/30/76/14/986307614.db2.gz XYWJNBJRJGWDJI-HUUCEWRRSA-N -2 1 389.835 3.385 20 0 GGADML CCOc1cc(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc(Cl)c1[O-] ZINC001597000125 986316076 /nfs/dbraw/zinc/31/60/76/986316076.db2.gz YFRGOEBNLWHYGP-GOSISDBHSA-N -2 1 381.787 3.313 20 0 GGADML CCOc1ccc(C[C@@H](CNC(=O)c2cc(Cl)ccc2[O-])C(=O)[O-])cc1 ZINC001597088468 986662141 /nfs/dbraw/zinc/66/21/41/986662141.db2.gz FVXWMCOGIAVDHC-ZDUSSCGKSA-N -2 1 377.824 3.118 20 0 GGADML C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccccc1 ZINC001589462319 986917046 /nfs/dbraw/zinc/91/70/46/986917046.db2.gz MUEMPHUYDRTHTH-ZUZCIYMTSA-N -2 1 378.222 3.347 20 0 GGADML CCc1ccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c(C(=O)[O-])c1 ZINC001597542427 988229220 /nfs/dbraw/zinc/22/92/20/988229220.db2.gz BETWMMDRRLMGRK-UHFFFAOYSA-N -2 1 375.450 3.044 20 0 GGADML CSc1nc(C)c(CCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(=O)[n-]1 ZINC001599827817 988624215 /nfs/dbraw/zinc/62/42/15/988624215.db2.gz 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CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2C)n[nH]1 ZINC001597785963 989308374 /nfs/dbraw/zinc/30/83/74/989308374.db2.gz WEDWUEGSODPNEJ-UHFFFAOYSA-N -2 1 375.406 3.040 20 0 GGADML CCc1oc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)cc1C(=O)[O-] ZINC001597798467 989368156 /nfs/dbraw/zinc/36/81/56/989368156.db2.gz GETJVRADUYYBQL-LBPRGKRZSA-N -2 1 396.365 3.150 20 0 GGADML CC(C)(C)c1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)cc1 ZINC001590485027 990081918 /nfs/dbraw/zinc/08/19/18/990081918.db2.gz MPOVOKYEMGPUSX-UHFFFAOYSA-N -2 1 385.869 3.450 20 0 GGADML CN(C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC001598073710 990378966 /nfs/dbraw/zinc/37/89/66/990378966.db2.gz RVQCDIKJULGJTB-LJQANCHMSA-N -2 1 379.368 3.363 20 0 GGADML CN(C(=O)c1cc(F)ccc1[O-])[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598079143 990392106 /nfs/dbraw/zinc/39/21/06/990392106.db2.gz SNOKNXUKFLITKM-AWEZNQCLSA-N -2 1 382.185 3.192 20 0 GGADML CN(C(=O)c1ccc(F)c([O-])c1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598086110 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UNIOAXVBIIVPPN-FLIBITNWSA-N -2 1 386.473 3.309 20 0 GGADML C[C@@H](NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593113358 993791205 /nfs/dbraw/zinc/79/12/05/993791205.db2.gz VTJMKTRUPMRKRA-KDOFPFPSSA-N -2 1 394.431 3.031 20 0 GGADML C[C@H](NC(=O)c1ccc(Br)cc1[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593155966 993970828 /nfs/dbraw/zinc/97/08/28/993970828.db2.gz GNGZVUXMCUXKMI-XHDPSFHLSA-N -2 1 392.249 3.217 20 0 GGADML C[C@@](NC(=O)c1ccc(F)c([O-])c1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593161549 993992820 /nfs/dbraw/zinc/99/28/20/993992820.db2.gz CVKOHNWWPCPCNS-INIZCTEOSA-N -2 1 382.185 3.024 20 0 GGADML C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ncc(C(=O)[O-])s1 ZINC001593330368 994892933 /nfs/dbraw/zinc/89/29/33/994892933.db2.gz IBDOAUVSQZJAQQ-BYPYZUCNSA-N -2 1 387.291 3.249 20 0 GGADML C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1cccc(Cl)c1Cl ZINC001593347714 994959751 /nfs/dbraw/zinc/95/97/51/994959751.db2.gz QQFJMIJYMQWOCY-LURJTMIESA-N -2 1 381.262 3.188 20 0 GGADML C[C@@H](Oc1ccccc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1)C(F)(F)F ZINC001593651965 996015135 /nfs/dbraw/zinc/01/51/35/996015135.db2.gz TXNWAYXFUQFODV-LLVKDONJSA-N -2 1 395.399 3.403 20 0 GGADML C[C@H](c1nc(C(=O)[O-])co1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001593724571 996266302 /nfs/dbraw/zinc/26/63/02/996266302.db2.gz HJJLUYGFBZHNPA-GHMZBOCLSA-N -2 1 397.353 3.106 20 0 GGADML COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)c(SC)c2)c1 ZINC001599280535 996890039 /nfs/dbraw/zinc/89/00/39/996890039.db2.gz CFNXQTJQDRQGFY-UHFFFAOYSA-N -2 1 381.475 3.362 20 0 GGADML COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c1 ZINC001599281526 996900811 /nfs/dbraw/zinc/90/08/11/996900811.db2.gz YOYAEDNHNXXOIN-UHFFFAOYSA-N -2 1 393.461 3.257 20 0 GGADML COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC001599384051 996911891 /nfs/dbraw/zinc/91/18/91/996911891.db2.gz RYXUVCLSBYVIJY-UHFFFAOYSA-N -2 1 391.232 3.204 20 0 GGADML COc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@@H](C)C(=O)[O-])c2)cc1OC ZINC001599393918 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C[C@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001594410345 999531138 /nfs/dbraw/zinc/53/11/38/999531138.db2.gz OHRSBYHHDZRZQN-FZMZJTMJSA-N -2 1 378.425 3.065 20 0 GGADML O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000096736568 211970197 /nfs/dbraw/zinc/97/01/97/211970197.db2.gz JIKQDCLSNDROPT-TWGQIWQCSA-N -2 1 382.235 3.348 20 0 GGADML CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])CC1 ZINC000097118830 211358343 /nfs/dbraw/zinc/35/83/43/211358343.db2.gz UVAOSPMBQRJUTH-UHFFFAOYSA-N -2 1 380.491 3.127 20 0 GGADML COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1Cl ZINC000058419479 210920799 /nfs/dbraw/zinc/92/07/99/210920799.db2.gz YSIYHQKIGFUBDP-UHFFFAOYSA-N -2 1 381.837 3.336 20 0 GGADML C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1sccc1Br)C(=O)[O-] ZINC000115730061 564198605 /nfs/dbraw/zinc/19/86/05/564198605.db2.gz MEFGFGLGSMQZPJ-BDAKNGLRSA-N -2 1 384.317 3.068 20 0 GGADML O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000013263486 564275543 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CSCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC000037462277 564421213 /nfs/dbraw/zinc/42/12/13/564421213.db2.gz XHPHAUVCYARMSN-SECBINFHSA-N -2 1 392.713 3.131 20 0 GGADML COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)cc1C(=O)[O-] ZINC000042122938 564442996 /nfs/dbraw/zinc/44/29/96/564442996.db2.gz NKIXKBMSFYUNCQ-UHFFFAOYSA-N -2 1 378.431 3.112 20 0 GGADML COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)c(C(=O)[O-])cc1OC ZINC000042122860 564443058 /nfs/dbraw/zinc/44/30/58/564443058.db2.gz WDGXINWVXKGPQS-UHFFFAOYSA-N -2 1 385.825 3.165 20 0 GGADML COc1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc(C(=O)[O-])c1OC ZINC000045946286 564491417 /nfs/dbraw/zinc/49/14/17/564491417.db2.gz FUIPQGIKZFOEKJ-UHFFFAOYSA-N -2 1 385.825 3.165 20 0 GGADML O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1Cl ZINC000047318157 564518155 /nfs/dbraw/zinc/51/81/55/564518155.db2.gz UGLMVCHJPBJTOJ-UHFFFAOYSA-N -2 1 383.809 3.000 20 0 GGADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000057120261 564660763 /nfs/dbraw/zinc/66/07/63/564660763.db2.gz UUJFUWPEOOXKCD-UHFFFAOYSA-N -2 1 375.431 3.013 20 0 GGADML Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000130423609 564680412 /nfs/dbraw/zinc/68/04/12/564680412.db2.gz NNYLXODLLMCFNB-UHFFFAOYSA-N -2 1 384.251 3.185 20 0 GGADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)ccc1F ZINC000058356631 564681994 /nfs/dbraw/zinc/68/19/94/564681994.db2.gz OXOXUVOAMMELCZ-UHFFFAOYSA-N -2 1 381.278 3.483 20 0 GGADML O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000060367184 564697581 /nfs/dbraw/zinc/69/75/81/564697581.db2.gz WBPFDTXVWWQUDK-UHFFFAOYSA-N -2 1 392.177 3.226 20 0 GGADML Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1Br ZINC000131154367 564702247 /nfs/dbraw/zinc/70/22/47/564702247.db2.gz GTICROMEMGRMRF-UHFFFAOYSA-N -2 1 376.253 3.318 20 0 GGADML Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000060949575 564703092 /nfs/dbraw/zinc/70/30/92/564703092.db2.gz XNVTVAOWZCURMU-UHFFFAOYSA-N -2 1 388.760 3.195 20 0 GGADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1 ZINC000131620054 564718484 /nfs/dbraw/zinc/71/84/84/564718484.db2.gz OHSUJTMCQQYDOG-UHFFFAOYSA-N -2 1 388.214 3.016 20 0 GGADML CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000067124864 564785295 /nfs/dbraw/zinc/78/52/95/564785295.db2.gz ZBZSXORZKDLXDP-UHFFFAOYSA-N -2 1 384.797 3.310 20 0 GGADML CCSc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c1 ZINC000071091837 564856205 /nfs/dbraw/zinc/85/62/05/564856205.db2.gz HAORMVZFOOPKSC-UHFFFAOYSA-N -2 1 385.438 3.202 20 0 GGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1Cl ZINC000072304019 564862102 /nfs/dbraw/zinc/86/21/02/564862102.db2.gz ZVJZTAZZLHHLNU-UHFFFAOYSA-N -2 1 377.752 3.440 20 0 GGADML O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000078432537 564863111 /nfs/dbraw/zinc/86/31/11/564863111.db2.gz NXIACAFMMBDXPM-UHFFFAOYSA-N -2 1 392.177 3.226 20 0 GGADML O=C(N[C@@H]1C=CCCC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000137809899 564864207 /nfs/dbraw/zinc/86/42/07/564864207.db2.gz MRQOTYXCQHOUGN-GFCCVEGCSA-N -2 1 378.475 3.093 20 0 GGADML O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000096747899 564903121 /nfs/dbraw/zinc/90/31/21/564903121.db2.gz IYIJMXUQCCNGIS-BAQGIRSFSA-N -2 1 382.781 3.147 20 0 GGADML Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000097150727 564906254 /nfs/dbraw/zinc/90/62/54/564906254.db2.gz PPNXHKFTNULOPU-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML O=C(NCc1cccs1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000097255231 564906503 /nfs/dbraw/zinc/90/65/03/564906503.db2.gz KQWHPEJTXOMRQN-UHFFFAOYSA-N -2 1 394.499 3.246 20 0 GGADML C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-])C1CCC1 ZINC000152510226 564962240 /nfs/dbraw/zinc/96/22/40/564962240.db2.gz ODYAMYSPMQVJOD-NSHDSACASA-N -2 1 380.491 3.173 20 0 GGADML C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-])C1CCC1 ZINC000152510315 564962828 /nfs/dbraw/zinc/96/28/28/564962828.db2.gz ODYAMYSPMQVJOD-LLVKDONJSA-N -2 1 380.491 3.173 20 0 GGADML C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1)C(=O)[O-] ZINC000184650655 565150323 /nfs/dbraw/zinc/15/03/23/565150323.db2.gz POGAIRVAABRILW-NSHDSACASA-N -2 1 378.837 3.276 20 0 GGADML Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000188330456 565395835 /nfs/dbraw/zinc/39/58/35/565395835.db2.gz PCPNACLOOLLEGQ-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189269365 565455716 /nfs/dbraw/zinc/45/57/16/565455716.db2.gz FMEJWVLHIKRKMU-UHFFFAOYSA-N -2 1 377.315 3.430 20 0 GGADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1F ZINC000189316753 565458756 /nfs/dbraw/zinc/45/87/56/565458756.db2.gz KBXWDXZXEIPTSJ-UHFFFAOYSA-N -2 1 377.315 3.430 20 0 GGADML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000190070932 565505141 /nfs/dbraw/zinc/50/51/41/565505141.db2.gz ZASKIVIESVWAPK-UHFFFAOYSA-N -2 1 396.165 3.128 20 0 GGADML Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000387727734 565549580 /nfs/dbraw/zinc/54/95/80/565549580.db2.gz NIBCFVNVBDBWIO-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1Br ZINC000389784009 565555194 /nfs/dbraw/zinc/55/51/94/565555194.db2.gz FUDQTGWATPEMEU-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)cc1 ZINC000391413242 565561927 /nfs/dbraw/zinc/56/19/27/565561927.db2.gz WOQNSALLGDASCJ-UHFFFAOYSA-N -2 1 398.234 3.151 20 0 GGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccn2)cc1 ZINC000190840479 565562886 /nfs/dbraw/zinc/56/28/86/565562886.db2.gz GYJJSVHKUWPQRX-UHFFFAOYSA-N -2 1 377.809 3.025 20 0 GGADML CCn1cc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000392704429 565566215 /nfs/dbraw/zinc/56/62/15/565566215.db2.gz HGTGCUVYUWSATM-UHFFFAOYSA-N -2 1 376.356 3.334 20 0 GGADML Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c(Br)c1 ZINC000316304651 565591556 /nfs/dbraw/zinc/59/15/56/565591556.db2.gz DKDLUIIVXUCDKQ-UHFFFAOYSA-N -2 1 384.251 3.185 20 0 GGADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000316689761 565592556 /nfs/dbraw/zinc/59/25/56/565592556.db2.gz DAORXFFKUWNBFW-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(Br)c1 ZINC000317541258 565593995 /nfs/dbraw/zinc/59/39/95/565593995.db2.gz WNWQHPJPTWOTNC-UHFFFAOYSA-N -2 1 388.214 3.396 20 0 GGADML O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)cc1 ZINC000326081179 565623714 /nfs/dbraw/zinc/62/37/14/565623714.db2.gz KQVISNQDMVXDAA-UHFFFAOYSA-N -2 1 394.207 3.397 20 0 GGADML O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc(Br)cc(Cl)c1[O-] ZINC000174247114 565623989 /nfs/dbraw/zinc/62/39/89/565623989.db2.gz AQVGTFITRSZMFR-UHFFFAOYSA-N -2 1 394.616 3.241 20 0 GGADML O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccccc1 ZINC000326285062 565624022 /nfs/dbraw/zinc/62/40/22/565624022.db2.gz MIQNPRZVVJOZQO-JTQLQIEISA-N -2 1 392.235 3.279 20 0 GGADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl ZINC000326806616 565626136 /nfs/dbraw/zinc/62/61/36/565626136.db2.gz ULYUIEVDYCWKOL-UHFFFAOYSA-N -2 1 383.809 3.000 20 0 GGADML O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000326761386 565626343 /nfs/dbraw/zinc/62/63/43/565626343.db2.gz OLNGYXASVRGUNV-UHFFFAOYSA-N -2 1 379.287 3.223 20 0 GGADML CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000326788647 565626351 /nfs/dbraw/zinc/62/63/51/565626351.db2.gz PMRALCAWNADMBU-UHFFFAOYSA-N -2 1 383.809 3.016 20 0 GGADML CCn1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1C(=O)[O-] ZINC000326882225 565626461 /nfs/dbraw/zinc/62/64/61/565626461.db2.gz CLWMIPPATBRJTQ-UHFFFAOYSA-N -2 1 394.783 3.262 20 0 GGADML CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1 ZINC000327000951 565627310 /nfs/dbraw/zinc/62/73/10/565627310.db2.gz APJXMZKFOCJYBH-UHFFFAOYSA-N -2 1 382.825 3.106 20 0 GGADML CCn1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1C(=O)[O-] ZINC000326978930 565627456 /nfs/dbraw/zinc/62/74/56/565627456.db2.gz JGXUKZWSLXHBPJ-UHFFFAOYSA-N -2 1 386.857 3.448 20 0 GGADML CCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1C(=O)[O-] ZINC000327383531 565630504 /nfs/dbraw/zinc/63/05/04/565630504.db2.gz WCAOJUOUJBGJJN-UHFFFAOYSA-N -2 1 375.324 3.002 20 0 GGADML CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1OCC ZINC000327456307 565630922 /nfs/dbraw/zinc/63/09/22/565630922.db2.gz VMNBJHSYKFKKNN-UHFFFAOYSA-N -2 1 385.463 3.353 20 0 GGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c(F)c1 ZINC000327558597 565631895 /nfs/dbraw/zinc/63/18/95/565631895.db2.gz KWSVWHODGFEJIZ-UHFFFAOYSA-N -2 1 381.278 3.483 20 0 GGADML CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1C ZINC000327687241 565632176 /nfs/dbraw/zinc/63/21/76/565632176.db2.gz QHJLFMMOJGNPQH-UHFFFAOYSA-N -2 1 382.825 3.106 20 0 GGADML CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1Cl ZINC000327647425 565632291 /nfs/dbraw/zinc/63/22/91/565632291.db2.gz UVCBHRTZSNLZTM-UHFFFAOYSA-N -2 1 382.825 3.106 20 0 GGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1Cl ZINC000327662813 565632416 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Cc1cccc([C@@H]2CCCCCN2C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000174979031 1427476456 /nfs/dbraw/zinc/47/64/56/1427476456.db2.gz UVOWWNAWZVPEAG-KRWDZBQOSA-N -2 1 392.459 3.398 20 0 GGADML Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1C(F)(F)F ZINC000737362948 1427512437 /nfs/dbraw/zinc/51/24/37/1427512437.db2.gz ZLEHZRMBNGSDMH-UHFFFAOYSA-N -2 1 397.382 3.303 20 0 GGADML Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC000175101497 1427547341 /nfs/dbraw/zinc/54/73/41/1427547341.db2.gz IOWUMATZVBTHLM-ACJLOTCBSA-N -2 1 392.459 3.254 20 0 GGADML O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)cccc1Cl ZINC000823583444 1427706687 /nfs/dbraw/zinc/70/66/87/1427706687.db2.gz QQSBHXJBYZBCAE-UHFFFAOYSA-N -2 1 388.211 3.113 20 0 GGADML O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1F)c1c(Cl)cccc1Cl ZINC000823583444 1427706689 /nfs/dbraw/zinc/70/66/89/1427706689.db2.gz QQSBHXJBYZBCAE-UHFFFAOYSA-N -2 1 388.211 3.113 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cccc(OCc2cccs2)c1 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XGHPEXDNPANTNV-BQYQJAHWSA-N -2 1 381.446 3.099 20 0 GGADML Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1Cl ZINC000826291513 1430219284 /nfs/dbraw/zinc/21/92/84/1430219284.db2.gz JPPUYKJKUYJMNM-UHFFFAOYSA-N -2 1 384.248 3.283 20 0 GGADML CCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2nccc2C)cc1C(=O)[O-] ZINC000181790239 1430360682 /nfs/dbraw/zinc/36/06/82/1430360682.db2.gz TYAJODQDVJWWFT-UHFFFAOYSA-N -2 1 385.445 3.242 20 0 GGADML CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)on1 ZINC000185070009 1431053954 /nfs/dbraw/zinc/05/39/54/1431053954.db2.gz PSRJISKVOWGMCO-UHFFFAOYSA-N -2 1 384.429 3.202 20 0 GGADML O=C([N-][N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)NC1CCCCC1 ZINC000187189420 1431641806 /nfs/dbraw/zinc/64/18/06/1431641806.db2.gz WSBNOFOKPMBFQW-UHFFFAOYSA-N -2 1 399.822 3.184 20 0 GGADML Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000190380483 1432370576 /nfs/dbraw/zinc/37/05/76/1432370576.db2.gz CFEHDQWHTMTFEM-UHFFFAOYSA-N -2 1 391.836 3.333 20 0 GGADML 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ZINC000267498911 1434441334 /nfs/dbraw/zinc/44/13/34/1434441334.db2.gz JJNVWIKUPCXZQP-UHFFFAOYSA-N -2 1 391.445 3.071 20 0 GGADML CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C[S@@](C)=O ZINC000273853084 1435021835 /nfs/dbraw/zinc/02/18/35/1435021835.db2.gz HTOLBABIOYQGBM-RUZDIDTESA-N -2 1 395.502 3.188 20 0 GGADML O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1Cl ZINC000823583132 1441442475 /nfs/dbraw/zinc/44/24/75/1441442475.db2.gz IJEOYJQHLWFCMA-UHFFFAOYSA-N -2 1 388.211 3.113 20 0 GGADML CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000825716928 1441449964 /nfs/dbraw/zinc/44/99/64/1441449964.db2.gz CYUNYRYDWFFADR-UHFFFAOYSA-N -2 1 381.820 3.022 20 0 GGADML Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000826280385 1441565459 /nfs/dbraw/zinc/56/54/59/1441565459.db2.gz ZVEYXLGAQBHAIR-UHFFFAOYSA-N -2 1 398.473 3.099 20 0 GGADML O=C([N-]c1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1)C1=CCCC1 ZINC000823382631 1441571830 /nfs/dbraw/zinc/57/18/30/1441571830.db2.gz 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O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cc(-c2ccccc2Cl)on1 ZINC000823294843 1442481569 /nfs/dbraw/zinc/48/15/69/1442481569.db2.gz UKKZPPSYNJSODK-UHFFFAOYSA-N -2 1 382.767 3.133 20 0 GGADML Cc1ccc(C(C)C)c(OCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c1 ZINC000826283104 1443256989 /nfs/dbraw/zinc/25/69/89/1443256989.db2.gz KKQJOZVPKTZYDW-UHFFFAOYSA-N -2 1 381.436 3.412 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cc2c(cccc2Br)[nH]1 ZINC000823294589 1443338248 /nfs/dbraw/zinc/33/82/48/1443338248.db2.gz ITUQKSVNECTOCM-UHFFFAOYSA-N -2 1 399.208 3.068 20 0 GGADML O=C(COCc1ccccc1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826416981 1443363365 /nfs/dbraw/zinc/36/33/65/1443363365.db2.gz YRRUSIFGLAWQOS-UHFFFAOYSA-N -2 1 392.444 3.146 20 0 GGADML O=C(COCc1ccccc1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826416981 1443363375 /nfs/dbraw/zinc/36/33/75/1443363375.db2.gz YRRUSIFGLAWQOS-UHFFFAOYSA-N -2 1 392.444 3.146 20 0 GGADML CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1 ZINC000819947010 1443500776 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O=C(c1ccc(Cl)cc1[O-])N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473138 1429331832 /nfs/dbraw/zinc/33/18/32/1429331832.db2.gz MGDDPQOPWXBZSN-UHFFFAOYSA-N -2 1 381.823 3.155 20 0 GGADML Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1-c1nn[n-]n1 ZINC000826271939 1429335551 /nfs/dbraw/zinc/33/55/51/1429335551.db2.gz NTXABOMWFZYZKE-UHFFFAOYSA-N -2 1 387.465 3.072 20 0 GGADML Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1-c1nnn[n-]1 ZINC000826271939 1429335553 /nfs/dbraw/zinc/33/55/53/1429335553.db2.gz NTXABOMWFZYZKE-UHFFFAOYSA-N -2 1 387.465 3.072 20 0 GGADML CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000820000979 1429484637 /nfs/dbraw/zinc/48/46/37/1429484637.db2.gz AQVQMUWETSTCOB-UHFFFAOYSA-N -2 1 398.492 3.388 20 0 GGADML CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000820000979 1429484640 /nfs/dbraw/zinc/48/46/40/1429484640.db2.gz AQVQMUWETSTCOB-UHFFFAOYSA-N -2 1 398.492 3.388 20 0 GGADML C[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])C[C@H]1C ZINC000153745882 1422734909 /nfs/dbraw/zinc/73/49/09/1422734909.db2.gz UKUGBYWNJSNNQA-QWHCGFSZSA-N -2 1 394.518 3.373 20 0 GGADML O=S(=O)([N-]c1ccccc1CCC(F)(F)F)c1ccccc1-c1nnn[n-]1 ZINC000823588989 1423345749 /nfs/dbraw/zinc/34/57/49/1423345749.db2.gz GYXIZAIFOJROJE-UHFFFAOYSA-N -2 1 397.382 3.162 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cc2c(s1)-c1ccccc1OC2 ZINC000823294668 1423834124 /nfs/dbraw/zinc/83/41/24/1423834124.db2.gz MHONWOOWRHBXPY-UHFFFAOYSA-N -2 1 391.412 3.446 20 0 GGADML Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000737390606 1424156780 /nfs/dbraw/zinc/15/67/80/1424156780.db2.gz RUECAUGQJFHRHQ-UHFFFAOYSA-N -2 1 397.382 3.303 20 0 GGADML O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)sc1Cl ZINC000823583528 1424296907 /nfs/dbraw/zinc/29/69/07/1424296907.db2.gz SFIXTABHGBYXCT-UHFFFAOYSA-N -2 1 394.240 3.175 20 0 GGADML O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)sc1Cl ZINC000823583528 1424296914 /nfs/dbraw/zinc/29/69/14/1424296914.db2.gz SFIXTABHGBYXCT-UHFFFAOYSA-N -2 1 394.240 3.175 20 0 GGADML Cc1c2nc([N-]C(=O)[C@H](C)Oc3ccc(-c4nnn[n-]4)cc3)sc2ccc1F ZINC000822034980 1425204034 /nfs/dbraw/zinc/20/40/34/1425204034.db2.gz NNPBVGJUMWURTR-JTQLQIEISA-N -2 1 398.423 3.330 20 0 GGADML Cc1c2nc([N-]C(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)sc2ccc1F ZINC000822034980 1425204038 /nfs/dbraw/zinc/20/40/38/1425204038.db2.gz NNPBVGJUMWURTR-JTQLQIEISA-N -2 1 398.423 3.330 20 0 GGADML Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000826292834 1425645081 /nfs/dbraw/zinc/64/50/81/1425645081.db2.gz NXSQRXFICYOBKC-UHFFFAOYSA-N -2 1 397.416 3.361 20 0 GGADML CCCSc1nsc([N-]C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821138888 1425943983 /nfs/dbraw/zinc/94/39/83/1425943983.db2.gz JITXBPMEDIQQDE-SECBINFHSA-N -2 1 390.498 3.103 20 0 GGADML Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)ccc1C ZINC000822221138 1425969785 /nfs/dbraw/zinc/96/97/85/1425969785.db2.gz BZPMGJGGXBRQSO-UHFFFAOYSA-N -2 1 387.396 3.170 20 0 GGADML Cc1ccc(-c2nsc([N-]C(=O)c3sccc3-c3nnn[n-]3)n2)s1 ZINC000737303699 1426056561 /nfs/dbraw/zinc/05/65/61/1426056561.db2.gz NEHHNGJOUMNTBK-UHFFFAOYSA-N -2 1 375.464 3.069 20 0 GGADML Cc1cc2nc([N-]C(=O)[C@H](C)Oc3ccc(-c4nnn[n-]4)cc3)oc2c(C)c1 ZINC000822196215 1426374947 /nfs/dbraw/zinc/37/49/47/1426374947.db2.gz AEKYPWIRQYBUSL-LBPRGKRZSA-N -2 1 378.392 3.031 20 0 GGADML Cc1cc2nc([N-]C(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)oc2c(C)c1 ZINC000822196215 1426374951 /nfs/dbraw/zinc/37/49/51/1426374951.db2.gz AEKYPWIRQYBUSL-LBPRGKRZSA-N -2 1 378.392 3.031 20 0 GGADML CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736490278 1426520193 /nfs/dbraw/zinc/52/01/93/1426520193.db2.gz JYTCOVSMYYYLQN-UHFFFAOYSA-N -2 1 387.465 3.073 20 0 GGADML CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000173342754 1426521753 /nfs/dbraw/zinc/52/17/53/1426521753.db2.gz MFOFDVNENCNBBI-INIZCTEOSA-N -2 1 394.475 3.124 20 0 GGADML Cc1cccc([C@@H]2CCCCN2C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1C ZINC000173420721 1426603939 /nfs/dbraw/zinc/60/39/39/1426603939.db2.gz WDVXMPGVBOBFPM-KRWDZBQOSA-N -2 1 392.459 3.316 20 0 GGADML Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000410341321 1426642077 /nfs/dbraw/zinc/64/20/77/1426642077.db2.gz VQRKIHYNQMNZGX-UHFFFAOYSA-N -2 1 398.473 3.099 20 0 GGADML Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000410341321 1426642082 /nfs/dbraw/zinc/64/20/82/1426642082.db2.gz VQRKIHYNQMNZGX-UHFFFAOYSA-N -2 1 398.473 3.099 20 0 GGADML O=C([N-]c1nc2ccsc2s1)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738210300 1426646996 /nfs/dbraw/zinc/64/69/96/1426646996.db2.gz MJXVPHXMGGPULZ-CYBMUJFWSA-N -2 1 397.489 3.145 20 0 GGADML O=C([N-]c1nc2ccsc2s1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738210300 1426647002 /nfs/dbraw/zinc/64/70/02/1426647002.db2.gz MJXVPHXMGGPULZ-CYBMUJFWSA-N -2 1 397.489 3.145 20 0 GGADML Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000737223733 1426731362 /nfs/dbraw/zinc/73/13/62/1426731362.db2.gz DLNGVLWRAWUULN-UHFFFAOYSA-N -2 1 384.248 3.283 20 0 GGADML Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000737223733 1426731373 /nfs/dbraw/zinc/73/13/73/1426731373.db2.gz DLNGVLWRAWUULN-UHFFFAOYSA-N -2 1 384.248 3.283 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])[C@@H](OC1CCCC1)c1ccccc1 ZINC000826451168 1426873195 /nfs/dbraw/zinc/87/31/95/1426873195.db2.gz SYMYGCGEJDPHJF-SFHVURJKSA-N -2 1 379.420 3.211 20 0 GGADML Cc1cc(C(=O)N2CCCCC[C@@H]2c2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174068646 1426985091 /nfs/dbraw/zinc/98/50/91/1426985091.db2.gz BLDAHBVFOMVPDZ-MRXNPFEDSA-N -2 1 378.432 3.090 20 0 GGADML Cc1cc(C(=O)N([C@H](C)c2ccc(Cl)cc2)C2CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174089764 1426995873 /nfs/dbraw/zinc/99/58/73/1426995873.db2.gz GOXDHAIVBJPVSU-LLVKDONJSA-N -2 1 398.850 3.351 20 0 GGADML O=C(COc1ccccc1-c1nnn[n-]1)[N-]c1nc(-c2cccc(F)c2)cs1 ZINC000737932314 1427032510 /nfs/dbraw/zinc/03/25/10/1427032510.db2.gz XHAHPRIOBOPXHZ-UHFFFAOYSA-N -2 1 396.407 3.147 20 0 GGADML O=C(COc1ccccc1-c1nn[n-]n1)[N-]c1nc(-c2cccc(F)c2)cs1 ZINC000737932314 1427032515 /nfs/dbraw/zinc/03/25/15/1427032515.db2.gz XHAHPRIOBOPXHZ-UHFFFAOYSA-N -2 1 396.407 3.147 20 0 GGADML C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000824753607 1427073441 /nfs/dbraw/zinc/07/34/41/1427073441.db2.gz FMPFPYOPERDPDQ-MRVPVSSYSA-N -2 1 394.218 3.285 20 0 GGADML Cc1cc(C(=O)N[C@@H](C)c2cc3ccccc3s2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174691654 1427312075 /nfs/dbraw/zinc/31/20/75/1427312075.db2.gz AVAPQNNKAAPFKF-JTQLQIEISA-N -2 1 380.429 3.038 20 0 GGADML Cc1cc(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174979762 1427476478 /nfs/dbraw/zinc/47/64/78/1427476478.db2.gz MPQSGNOKKXTMAM-MRVPVSSYSA-N -2 1 393.230 3.130 20 0 GGADML Cc1cc(C(=O)N(C)C2c3ccccc3-c3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000175070586 1427531092 /nfs/dbraw/zinc/53/10/92/1427531092.db2.gz VYDJULKJBDPFGL-UHFFFAOYSA-N -2 1 398.422 3.174 20 0 GGADML Cc1ccsc1-c1nnc([N-]C(=O)CSc2ccccc2-c2nnn[n-]2)o1 ZINC000822378988 1427583750 /nfs/dbraw/zinc/58/37/50/1427583750.db2.gz IRODVLIYYIZLHL-UHFFFAOYSA-N -2 1 399.461 3.017 20 0 GGADML CC(C)(C)c1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000819965846 1427604954 /nfs/dbraw/zinc/60/49/54/1427604954.db2.gz PFSGHCSYFSMRED-UHFFFAOYSA-N -2 1 398.901 3.075 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1csc(Cc2cccc(F)c2)n1 ZINC000826451285 1427615679 /nfs/dbraw/zinc/61/56/79/1427615679.db2.gz ZCFZRWGYOXESNB-UHFFFAOYSA-N -2 1 396.407 3.011 20 0 GGADML C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824516682 1427775041 /nfs/dbraw/zinc/77/50/41/1427775041.db2.gz YJJCWPQOGHNOFW-VIFPVBQESA-N -2 1 377.326 3.082 20 0 GGADML C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824516682 1427775045 /nfs/dbraw/zinc/77/50/45/1427775045.db2.gz YJJCWPQOGHNOFW-VIFPVBQESA-N -2 1 377.326 3.082 20 0 GGADML C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824516682 1427775047 /nfs/dbraw/zinc/77/50/47/1427775047.db2.gz YJJCWPQOGHNOFW-VIFPVBQESA-N -2 1 377.326 3.082 20 0 GGADML O=S(=O)([N-]c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccccc1 ZINC000738340985 1429845451 /nfs/dbraw/zinc/84/54/51/1429845451.db2.gz AVCWTVOWTVZNJB-UHFFFAOYSA-N -2 1 393.428 3.460 20 0 GGADML O=S(=O)([N-]c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccc1 ZINC000738340985 1429845458 /nfs/dbraw/zinc/84/54/58/1429845458.db2.gz AVCWTVOWTVZNJB-UHFFFAOYSA-N -2 1 393.428 3.460 20 0 GGADML CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000736328890 1429955901 /nfs/dbraw/zinc/95/59/01/1429955901.db2.gz QUWGFLXEFKCPFE-CYBMUJFWSA-N -2 1 387.465 3.153 20 0 GGADML CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000736328890 1429955902 /nfs/dbraw/zinc/95/59/02/1429955902.db2.gz QUWGFLXEFKCPFE-CYBMUJFWSA-N -2 1 387.465 3.153 20 0 GGADML O=C([N-]c1nc2ccccc2s1)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738211516 1429998311 /nfs/dbraw/zinc/99/83/11/1429998311.db2.gz NZMVMEGKFXLAPF-HNNXBMFYSA-N -2 1 391.460 3.084 20 0 GGADML O=C([N-]c1nc2ccccc2s1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738211516 1429998314 /nfs/dbraw/zinc/99/83/14/1429998314.db2.gz NZMVMEGKFXLAPF-HNNXBMFYSA-N -2 1 391.460 3.084 20 0 GGADML Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000181788481 1430360516 /nfs/dbraw/zinc/36/05/16/1430360516.db2.gz YTKTYBAHKRFUNY-UHFFFAOYSA-N -2 1 385.445 3.297 20 0 GGADML Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000181790267 1430360784 /nfs/dbraw/zinc/36/07/84/1430360784.db2.gz YHYGNPJICSLMHS-UHFFFAOYSA-N -2 1 385.445 3.297 20 0 GGADML CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)on1 ZINC000185069587 1431053292 /nfs/dbraw/zinc/05/32/92/1431053292.db2.gz IVSRUUVWFWVFBX-UHFFFAOYSA-N -2 1 388.392 3.033 20 0 GGADML O=C([O-])COc1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)cc1Br ZINC000187230724 1431657578 /nfs/dbraw/zinc/65/75/78/1431657578.db2.gz IVSAPEHHINYLHH-XGICHPGQSA-N -2 1 389.201 3.441 20 0 GGADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccn1 ZINC000190840289 1432503026 /nfs/dbraw/zinc/50/30/26/1432503026.db2.gz REXKAVYSKKVSHP-UHFFFAOYSA-N -2 1 391.836 3.333 20 0 GGADML CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1 ZINC000265234292 1434204312 /nfs/dbraw/zinc/20/43/12/1434204312.db2.gz HZGXFXSVVOIQOL-VWLOTQADSA-N -2 1 395.502 3.188 20 0 GGADML CCCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@@H](C)c1ccccc1OC ZINC000266850698 1434381817 /nfs/dbraw/zinc/38/18/17/1434381817.db2.gz PHQNJCDEMGMLLD-ZDUSSCGKSA-N -2 1 396.447 3.366 20 0 GGADML CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2 ZINC000278064411 1435355675 /nfs/dbraw/zinc/35/56/75/1435355675.db2.gz KPYHAMMUNIRWET-UHFFFAOYSA-N -2 1 394.474 3.039 20 0 GGADML Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)C2)cc1 ZINC000278900083 1435437487 /nfs/dbraw/zinc/43/74/87/1435437487.db2.gz JRRYZRRIJGMMGB-DZGCQCFKSA-N -2 1 378.432 3.071 20 0 GGADML C[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820384903 1441420959 /nfs/dbraw/zinc/42/09/59/1441420959.db2.gz MTFDCYDKBLPITC-QMMMGPOBSA-N -2 1 378.219 3.370 20 0 GGADML CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000821123068 1441468178 /nfs/dbraw/zinc/46/81/78/1441468178.db2.gz JTYCRBTVTDUOFB-UHFFFAOYSA-N -2 1 395.448 3.371 20 0 GGADML O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822935801 1441540460 /nfs/dbraw/zinc/54/04/60/1441540460.db2.gz NSPCGNCGBIDAHJ-LBPRGKRZSA-N -2 1 377.326 3.247 20 0 GGADML C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000824737518 1441619309 /nfs/dbraw/zinc/61/93/09/1441619309.db2.gz HPVHAZQZELFHBL-NSHDSACASA-N -2 1 399.480 3.172 20 0 GGADML O=C([N-]c1nc(C2CC2)cs1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738208859 1441939942 /nfs/dbraw/zinc/93/99/42/1441939942.db2.gz HZNPLNSFTAIHHR-UHFFFAOYSA-N -2 1 381.465 3.397 20 0 GGADML O=C([N-]c1nc(C2CC2)cs1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738208859 1441939944 /nfs/dbraw/zinc/93/99/44/1441939944.db2.gz HZNPLNSFTAIHHR-UHFFFAOYSA-N -2 1 381.465 3.397 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1csc(Cc2ccccc2F)n1 ZINC000823294543 1442025021 /nfs/dbraw/zinc/02/50/21/1442025021.db2.gz GHDXDNSEVLVKAG-UHFFFAOYSA-N -2 1 396.407 3.011 20 0 GGADML O=C(Cc1cccc(-c2nn[n-]n2)c1)[N-]c1nc(Sc2ccccc2)ns1 ZINC000823107623 1442268506 /nfs/dbraw/zinc/26/85/06/1442268506.db2.gz BVCWKMPAMLOBMG-UHFFFAOYSA-N -2 1 395.473 3.051 20 0 GGADML CC(C)CCO[C@@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824248996 1443268964 /nfs/dbraw/zinc/26/89/64/1443268964.db2.gz GHTOVZVOTHLPFW-LBPRGKRZSA-N -2 1 386.481 3.380 20 0 GGADML CC(C)CCO[C@@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824248996 1443268966 /nfs/dbraw/zinc/26/89/66/1443268966.db2.gz GHTOVZVOTHLPFW-LBPRGKRZSA-N -2 1 386.481 3.380 20 0 GGADML O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823383120 1443335610 /nfs/dbraw/zinc/33/56/10/1443335610.db2.gz LYFOYFUPANVGEC-UHFFFAOYSA-N -2 1 389.853 3.352 20 0 GGADML CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnn[n-]2)c2ccccc12 ZINC000825643937 1443386848 /nfs/dbraw/zinc/38/68/48/1443386848.db2.gz XIOXHDIYMBVYPQ-UHFFFAOYSA-N -2 1 395.444 3.219 20 0 GGADML O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(-c2ccccc2)ns1 ZINC000823246646 1443387401 /nfs/dbraw/zinc/38/74/01/1443387401.db2.gz YRPMAHDZUMMPTR-UHFFFAOYSA-N -2 1 377.433 3.312 20 0 GGADML Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)c1 ZINC000822258790 1443573119 /nfs/dbraw/zinc/57/31/19/1443573119.db2.gz CTVOMRVPYFSEPJ-UHFFFAOYSA-N -2 1 397.382 3.303 20 0 GGADML Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)c1 ZINC000822258790 1443573122 /nfs/dbraw/zinc/57/31/22/1443573122.db2.gz CTVOMRVPYFSEPJ-UHFFFAOYSA-N -2 1 397.382 3.303 20 0 GGADML O=S(=O)(C=Cc1ccccc1Cl)[N-]c1ccc(F)cc1-c1nn[n-]n1 ZINC000826484038 1443632793 /nfs/dbraw/zinc/63/27/93/1443632793.db2.gz KUNOLLBFAXRKQV-FPLPWBNLSA-N -2 1 379.804 3.072 20 0 GGADML CC(C)(C)c1nnc([N-]C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000735655411 1443829211 /nfs/dbraw/zinc/82/92/11/1443829211.db2.gz OFEGNQYAOQEUBB-UHFFFAOYSA-N -2 1 398.496 3.212 20 0 GGADML CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821496465 1443921394 /nfs/dbraw/zinc/92/13/94/1443921394.db2.gz GPCXCDDHQCWMRE-UHFFFAOYSA-N -2 1 397.382 3.249 20 0 GGADML CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821496465 1443921399 /nfs/dbraw/zinc/92/13/99/1443921399.db2.gz GPCXCDDHQCWMRE-UHFFFAOYSA-N -2 1 397.382 3.249 20 0 GGADML O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)cc(Cl)c1 ZINC000738341007 1446217739 /nfs/dbraw/zinc/21/77/39/1446217739.db2.gz BUZLCZUNEORQEI-UHFFFAOYSA-N -2 1 388.211 3.113 20 0 GGADML O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)cc(Cl)c1 ZINC000738341007 1446217742 /nfs/dbraw/zinc/21/77/42/1446217742.db2.gz BUZLCZUNEORQEI-UHFFFAOYSA-N -2 1 388.211 3.113 20 0 GGADML CCSc1cccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000736668137 1446384680 /nfs/dbraw/zinc/38/46/80/1446384680.db2.gz WLDYHKRNORVLCU-UHFFFAOYSA-N -2 1 375.479 3.088 20 0 GGADML CCSc1cccc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000736668137 1446384683 /nfs/dbraw/zinc/38/46/83/1446384683.db2.gz WLDYHKRNORVLCU-UHFFFAOYSA-N -2 1 375.479 3.088 20 0 GGADML O=C(Nc1cccc(O)c1F)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826456914 1446863680 /nfs/dbraw/zinc/86/36/80/1446863680.db2.gz DQGQIZIWRLNVJZ-UHFFFAOYSA-N -2 1 395.350 3.136 20 0 GGADML Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc(C)c1OC(F)F ZINC000822176983 1446944587 /nfs/dbraw/zinc/94/45/87/1446944587.db2.gz QVNHGDJCAOXMDK-UHFFFAOYSA-N -2 1 375.335 3.043 20 0 GGADML CCCNc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000736488904 1447160883 /nfs/dbraw/zinc/16/08/83/1447160883.db2.gz TWQHTSRCNRXBJY-UHFFFAOYSA-N -2 1 392.872 3.143 20 0 GGADML Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)cc2)cs1 ZINC000737463153 1447191862 /nfs/dbraw/zinc/19/18/62/1447191862.db2.gz KVFJCARMOUBOPS-UHFFFAOYSA-N -2 1 398.473 3.099 20 0 GGADML Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)cc2)cs1 ZINC000737463153 1447191867 /nfs/dbraw/zinc/19/18/67/1447191867.db2.gz KVFJCARMOUBOPS-UHFFFAOYSA-N -2 1 398.473 3.099 20 0 GGADML CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000735734268 1447293599 /nfs/dbraw/zinc/29/35/99/1447293599.db2.gz GGHNQTCYMIVEHN-MRXNPFEDSA-N -2 1 387.827 3.268 20 0 GGADML C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000820300589 1449354461 /nfs/dbraw/zinc/35/44/61/1449354461.db2.gz RCRSTDUWUGVSNA-SNVBAGLBSA-N -2 1 391.353 3.408 20 0 GGADML O=C([N-]c1nnc(CC2CCCCC2)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823382662 1449453345 /nfs/dbraw/zinc/45/33/45/1449453345.db2.gz CHEGZLKHDQOMDZ-UHFFFAOYSA-N -2 1 375.483 3.155 20 0 GGADML Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)c1Cl ZINC000826303974 1449474043 /nfs/dbraw/zinc/47/40/43/1449474043.db2.gz PNRMQLHWOWQKGK-UHFFFAOYSA-N -2 1 384.248 3.283 20 0 GGADML CC(C)(C)c1csc([N-]C(=O)[C@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735657188 1449523269 /nfs/dbraw/zinc/52/32/69/1449523269.db2.gz QHDGBTXDHXXCNM-CQSZACIVSA-N -2 1 397.508 3.228 20 0 GGADML CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000735904379 1449551344 /nfs/dbraw/zinc/55/13/44/1449551344.db2.gz NFTJLXDEFKCBEK-UHFFFAOYSA-N -2 1 393.856 3.108 20 0 GGADML CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824352819 1449586281 /nfs/dbraw/zinc/58/62/81/1449586281.db2.gz PCUTWGNZVACDJG-UHFFFAOYSA-N -2 1 377.857 3.444 20 0 GGADML CCCNc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1ccc(CC)s1 ZINC000736487527 1449644763 /nfs/dbraw/zinc/64/47/63/1449644763.db2.gz HHSTVNIUWPRBGA-UHFFFAOYSA-N -2 1 392.510 3.113 20 0 GGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ncoc1-c1ccccc1Cl ZINC000826451598 1449653501 /nfs/dbraw/zinc/65/35/01/1449653501.db2.gz NRCLTIMGNQYVJI-UHFFFAOYSA-N -2 1 382.767 3.133 20 0 GGADML CSc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1C ZINC000826230616 1449705727 /nfs/dbraw/zinc/70/57/27/1449705727.db2.gz BMJWVUCRGKDTNP-UHFFFAOYSA-N -2 1 375.479 3.006 20 0 GGADML Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000822230792 1449774644 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0 GGADML CCOc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)ccc1C ZINC000825616113 1450206385 /nfs/dbraw/zinc/20/63/85/1450206385.db2.gz WYRAVMOSBVKRHF-UHFFFAOYSA-N -2 1 393.856 3.028 20 0 GGADML Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000822230614 1450214231 /nfs/dbraw/zinc/21/42/31/1450214231.db2.gz LNMDODBHYCGLME-UHFFFAOYSA-N -2 1 397.382 3.303 20 0 GGADML Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000822230614 1450214235 /nfs/dbraw/zinc/21/42/35/1450214235.db2.gz LNMDODBHYCGLME-UHFFFAOYSA-N -2 1 397.382 3.303 20 0 GGADML CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]c1ncc(Cl)s1 ZINC000820031392 1450508024 /nfs/dbraw/zinc/50/80/24/1450508024.db2.gz DYLOYUUQWWOUBM-LBPRGKRZSA-N -2 1 378.845 3.019 20 0 GGADML CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]c1ncc(Cl)s1 ZINC000820031392 1450508026 /nfs/dbraw/zinc/50/80/26/1450508026.db2.gz DYLOYUUQWWOUBM-LBPRGKRZSA-N -2 1 378.845 3.019 20 0 GGADML