smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1ncc(C=CC(=O)N2CCc3c2cccc3-c2nnn[n-]2)s1 ZINC001573885823 950840350 /nfs/dbraw/zinc/84/03/50/950840350.db2.gz VEXWYRIXLQNVGF-BQYQJAHWSA-N -1 3 380.477 3.223 20 10 GGCDHM CC(C)(C)c1ncc(C=CC(=O)N2CCc3c2cccc3-c2nn[n-]n2)s1 ZINC001573885823 950840371 /nfs/dbraw/zinc/84/03/71/950840371.db2.gz VEXWYRIXLQNVGF-BQYQJAHWSA-N -1 3 380.477 3.223 20 10 GGCDHM CN(C)c1ccc([C@@H](CNC(=O)Nc2cccc(CCC(=O)[O-])c2)N(C)C)cc1 ZINC001593708781 954167442 /nfs/dbraw/zinc/16/74/42/954167442.db2.gz AEWCENABVZFQMV-HXUWFJFHSA-N -1 3 398.507 3.194 20 10 GGCDHM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000911552115 957081015 /nfs/dbraw/zinc/08/10/15/957081015.db2.gz CBUNOACYLWHDDO-UHFFFAOYSA-N -1 3 381.476 3.476 20 10 GGCDHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC001604064072 974599804 /nfs/dbraw/zinc/59/98/04/974599804.db2.gz JDBJYFPKLQAWBD-UHFFFAOYSA-N -1 3 397.479 3.256 20 10 GGCDHM CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)N(C)C)cc1 ZINC001598313079 991286760 /nfs/dbraw/zinc/28/67/60/991286760.db2.gz BKHHTPDSAYFAQB-SFHVURJKSA-N -1 3 388.443 3.014 20 10 GGCDHM COc1ccc(N2CCN(Cc3c4ccccc4[nH]c3C(=O)[O-])CC2)cc1F ZINC001599585689 993609862 /nfs/dbraw/zinc/60/98/62/993609862.db2.gz GHHJPMRAJFQHPA-UHFFFAOYSA-N -1 3 383.423 3.336 20 10 GGCDHM C[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC001593204374 994200501 /nfs/dbraw/zinc/20/05/01/994200501.db2.gz QMHOTCGFNSMKMF-SJORKVTESA-N -1 3 384.476 3.398 20 10 GGCDHM C[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593217602 994274474 /nfs/dbraw/zinc/27/44/74/994274474.db2.gz ARIFZPQEDZWOHC-MRXNPFEDSA-N -1 3 396.487 3.365 20 10 GGCDHM C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245687 994438277 /nfs/dbraw/zinc/43/82/77/994438277.db2.gz AMBYDZPRHMIZDY-SMDDNHRTSA-N -1 3 399.365 3.200 20 10 GGCDHM C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246414 994451232 /nfs/dbraw/zinc/45/12/32/994451232.db2.gz LALMVYMPWKHTSQ-HWPZZCPQSA-N -1 3 385.338 3.373 20 10 GGCDHM C[C@@H](Oc1ccccc1CNCc1ccc(N2CCSCC2)cc1)C(=O)[O-] ZINC001593647787 995992819 /nfs/dbraw/zinc/99/28/19/995992819.db2.gz AUMQHWOQVLCFPA-MRXNPFEDSA-N -1 3 386.517 3.382 20 10 GGCDHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1 ZINC000007908432 564243121 /nfs/dbraw/zinc/24/31/21/564243121.db2.gz HMOLWQQEBSPNTI-UHFFFAOYSA-N -1 3 399.310 3.002 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1C ZINC000055668582 564628852 /nfs/dbraw/zinc/62/88/52/564628852.db2.gz LWDVDYFXTDTNRS-UHFFFAOYSA-N -1 3 382.507 3.174 20 10 GGCDHM CS(=O)(=O)C[C@H](NCc1cc(Br)ccc1[O-])c1ccccc1 ZINC000154998844 565059047 /nfs/dbraw/zinc/05/90/47/565059047.db2.gz TVZYFIVYGMNGQM-HNNXBMFYSA-N -1 3 384.295 3.030 20 10 GGCDHM CC[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000156613706 565097605 /nfs/dbraw/zinc/09/76/05/565097605.db2.gz KFDYIKCTMOZUMB-UONOGXRCSA-N -1 3 383.279 3.279 20 10 GGCDHM Cc1nc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cs1 ZINC000158064592 565154450 /nfs/dbraw/zinc/15/44/50/565154450.db2.gz UZOIXLPRRLIRPP-OAHLLOKOSA-N -1 3 379.913 3.134 20 10 GGCDHM C[C@@H](NCc1cccnc1N1CCOCC1)c1ccc(Br)cc1[O-] ZINC000184986553 565169118 /nfs/dbraw/zinc/16/91/18/565169118.db2.gz YJEFKWZHMDLXJI-CYBMUJFWSA-N -1 3 392.297 3.237 20 10 GGCDHM C[C@H](NCc1cccnc1N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000184986038 565169425 /nfs/dbraw/zinc/16/94/25/565169425.db2.gz VYJLEJUTIOIGPU-ZDUSSCGKSA-N -1 3 392.297 3.237 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000269023253 565175608 /nfs/dbraw/zinc/17/56/08/565175608.db2.gz JDMQXZWKGGGAOC-AWEZNQCLSA-N -1 3 393.285 3.487 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000270310151 565214514 /nfs/dbraw/zinc/21/45/14/565214514.db2.gz PSSQRJQMBJCIHS-LLVKDONJSA-N -1 3 378.270 3.031 20 10 GGCDHM COc1cc(Br)cc(CN2CCC[C@H](N3CCCCC3=O)C2)c1[O-] ZINC000372413365 565236712 /nfs/dbraw/zinc/23/67/12/565236712.db2.gz KQKUTCIVQKIOBC-HNNXBMFYSA-N -1 3 397.313 3.140 20 10 GGCDHM Cc1cc(N2CC[C@H](N[C@@H](C)c3ccc(Cl)c(Cl)c3[O-])C2=O)n(C)n1 ZINC000186083662 565238436 /nfs/dbraw/zinc/23/84/36/565238436.db2.gz VCODXTAQFUWDHU-GWCFXTLKSA-N -1 3 383.279 3.197 20 10 GGCDHM C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186082554 565238543 /nfs/dbraw/zinc/23/85/43/565238543.db2.gz OARXYDFCKJUCDY-GWCFXTLKSA-N -1 3 383.279 3.279 20 10 GGCDHM Cc1cc(Br)cc(CN[C@@H](c2nccn2C)C(C)(C)CO)c1[O-] ZINC000295015583 565240883 /nfs/dbraw/zinc/24/08/83/565240883.db2.gz JZYDCYSOFSZNOE-HNNXBMFYSA-N -1 3 382.302 3.046 20 10 GGCDHM COC[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000271731533 565265934 /nfs/dbraw/zinc/26/59/34/565265934.db2.gz NCLOGCXLLQIOKL-SECBINFHSA-N -1 3 379.092 3.386 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC(C)(C)CCCO ZINC000271825699 565269568 /nfs/dbraw/zinc/26/95/68/565269568.db2.gz RDQRFZAQTHMCIZ-UHFFFAOYSA-N -1 3 387.318 3.485 20 10 GGCDHM COCCOc1ncccc1CN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000273305037 565316813 /nfs/dbraw/zinc/31/68/13/565316813.db2.gz CNYFSMYHIKLCQM-LBPRGKRZSA-N -1 3 381.270 3.426 20 10 GGCDHM CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000273444085 565320965 /nfs/dbraw/zinc/32/09/65/565320965.db2.gz ZKFZAIGJZYKXEO-JGVFFNPUSA-N -1 3 394.107 3.092 20 10 GGCDHM CCNC(=O)[C@@H](C)N[C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000273444080 565321245 /nfs/dbraw/zinc/32/12/45/565321245.db2.gz ZKFZAIGJZYKXEO-HTQZYQBOSA-N -1 3 394.107 3.092 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCc1nccnc1C ZINC000297485978 565374121 /nfs/dbraw/zinc/37/41/21/565374121.db2.gz MWBQDMKVUQQKHD-UHFFFAOYSA-N -1 3 393.285 3.027 20 10 GGCDHM C[C@H](N[C@@H](C)c1cc(Br)cc(Br)c1[O-])C(=O)N(C)C ZINC000189013123 565437988 /nfs/dbraw/zinc/43/79/88/565437988.db2.gz ZDWBHTNEXVNXDK-YUMQZZPRSA-N -1 3 394.107 3.045 20 10 GGCDHM Cc1nc(CCN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)sc1C ZINC000277423534 565495811 /nfs/dbraw/zinc/49/58/11/565495811.db2.gz PPCYTOFRQAIKHV-UHFFFAOYSA-N -1 3 379.869 3.126 20 10 GGCDHM O=C(CCc1cscn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000378176618 565515184 /nfs/dbraw/zinc/51/51/84/565515184.db2.gz YZSCXBCFZUMZBB-OAHLLOKOSA-N -1 3 379.913 3.216 20 10 GGCDHM Cc1cnc([C@H](C)CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000277746500 565517823 /nfs/dbraw/zinc/51/78/23/565517823.db2.gz UZMJQKBAKIEOCK-SNVBAGLBSA-N -1 3 379.869 3.378 20 10 GGCDHM COCOc1ccc(OC)cc1CNCc1cccc(Br)c1[O-] ZINC000278414452 565557980 /nfs/dbraw/zinc/55/79/80/565557980.db2.gz QNPDKPLHNGBNHT-UHFFFAOYSA-N -1 3 382.254 3.436 20 10 GGCDHM CC[N@H+](Cc1nc(=O)c2sccc2[n-]1)Cc1cc(Br)ccc1[O-] ZINC000173992693 565605478 /nfs/dbraw/zinc/60/54/78/565605478.db2.gz RACRNSAEWLDFMP-UHFFFAOYSA-N -1 3 394.294 3.475 20 10 GGCDHM CC[N@@H+](Cc1nc(=O)c2sccc2[n-]1)Cc1cc(Br)ccc1[O-] ZINC000173992693 565605482 /nfs/dbraw/zinc/60/54/82/565605482.db2.gz RACRNSAEWLDFMP-UHFFFAOYSA-N -1 3 394.294 3.475 20 10 GGCDHM CCN(Cc1cc(=O)n2ccsc2n1)Cc1cc(Br)ccc1[O-] ZINC000173992620 565605611 /nfs/dbraw/zinc/60/56/11/565605611.db2.gz JZMWBYIEVUXYBL-UHFFFAOYSA-N -1 3 394.294 3.246 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1cnn(CCOC)c1 ZINC000174038318 565609444 /nfs/dbraw/zinc/60/94/44/565609444.db2.gz PZSJZJYLTZMKTN-UHFFFAOYSA-N -1 3 397.273 3.052 20 10 GGCDHM COc1cc(Br)cc(CN2CCSC[C@@H]2c2cnn(C)c2)c1[O-] ZINC000191737977 565628025 /nfs/dbraw/zinc/62/80/25/565628025.db2.gz ZUHKXYAARBLANI-CQSZACIVSA-N -1 3 398.326 3.187 20 10 GGCDHM Cc1nn(C)c(CNCc2cccc(Br)c2[O-])c1Br ZINC000279693453 565628158 /nfs/dbraw/zinc/62/81/58/565628158.db2.gz BXJRWPSJGWTLAI-UHFFFAOYSA-N -1 3 389.091 3.249 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1cccc(CO)c1 ZINC000174757214 565656233 /nfs/dbraw/zinc/65/62/33/565656233.db2.gz LZVFTGIAXDXYGL-UHFFFAOYSA-N -1 3 393.281 3.379 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1csc(NC(C)=O)n1 ZINC000175847406 565726762 /nfs/dbraw/zinc/72/67/62/565726762.db2.gz CHSRDPJWBHGVEO-UHFFFAOYSA-N -1 3 398.282 3.232 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCn1c(C)csc1=O ZINC000175846790 565727416 /nfs/dbraw/zinc/72/74/16/565727416.db2.gz SUWXCGJHBDVZGT-UHFFFAOYSA-N -1 3 399.310 3.125 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnc([C@@H](C)O)s1 ZINC000283598968 565823528 /nfs/dbraw/zinc/82/35/28/565823528.db2.gz YEXDACJDXAGTAJ-SECBINFHSA-N -1 3 385.283 3.327 20 10 GGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1c1nc2c(s1)CCCC2 ZINC000285903439 565932386 /nfs/dbraw/zinc/93/23/86/565932386.db2.gz HSGHZYHZKXYGQN-UHFFFAOYSA-N -1 3 377.853 3.350 20 10 GGCDHM CC[C@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287265549 566007860 /nfs/dbraw/zinc/00/78/60/566007860.db2.gz AQTCZWUFIULSRU-WFASDCNBSA-N -1 3 377.794 3.270 20 10 GGCDHM CC[C@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287265542 566007991 /nfs/dbraw/zinc/00/79/91/566007991.db2.gz AQTCZWUFIULSRU-SWLSCSKDSA-N -1 3 377.794 3.270 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@H]1CCOC[C@H]1C ZINC000287709204 566036228 /nfs/dbraw/zinc/03/62/28/566036228.db2.gz BOXIFHVLNRYEBP-CHWSQXEVSA-N -1 3 385.302 3.359 20 10 GGCDHM CC(=O)c1cc(Cl)cc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1[O-] ZINC000181784626 566166145 /nfs/dbraw/zinc/16/61/45/566166145.db2.gz JOQUEDLCKVIAPG-QGZVFWFLSA-N -1 3 381.881 3.124 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCCc2nn(C)cc21 ZINC000366965633 566179900 /nfs/dbraw/zinc/17/99/00/566179900.db2.gz GXLYCTBGICVGOZ-AWEZNQCLSA-N -1 3 392.297 3.357 20 10 GGCDHM Cc1cc(Br)cc(CN[C@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000290654411 566182833 /nfs/dbraw/zinc/18/28/33/566182833.db2.gz ZGEUJXNEJGPHGO-AWEZNQCLSA-N -1 3 382.279 3.081 20 10 GGCDHM Cc1cc(Br)cc(CN[C@@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000290654413 566182997 /nfs/dbraw/zinc/18/29/97/566182997.db2.gz ZGEUJXNEJGPHGO-CQSZACIVSA-N -1 3 382.279 3.081 20 10 GGCDHM COc1cc(Br)cc(CN2CCc3nc(C4CC4)ncc3C2)c1[O-] ZINC000529664881 567537138 /nfs/dbraw/zinc/53/71/38/567537138.db2.gz GRGPPULDAUUSRH-UHFFFAOYSA-N -1 3 390.281 3.389 20 10 GGCDHM O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1[O-] ZINC000046405414 570852068 /nfs/dbraw/zinc/85/20/68/570852068.db2.gz NWKGDJRKZPJSHM-UHFFFAOYSA-N -1 3 380.366 3.178 20 10 GGCDHM CCO[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C12CCC2 ZINC000170614012 570871473 /nfs/dbraw/zinc/87/14/73/570871473.db2.gz QUFCUBPKBKKAEJ-JKSUJKDBSA-N -1 3 378.856 3.158 20 10 GGCDHM CCO[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C12CCC2 ZINC000170614016 570871494 /nfs/dbraw/zinc/87/14/94/570871494.db2.gz QUFCUBPKBKKAEJ-CVEARBPZSA-N -1 3 378.856 3.158 20 10 GGCDHM Cc1cc(-c2nc(-c3ccncc3)no2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737221341 598859872 /nfs/dbraw/zinc/85/98/72/598859872.db2.gz JCMYFPPXMADZNF-UHFFFAOYSA-N -1 3 384.403 3.386 20 10 GGCDHM O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738103555 599020233 /nfs/dbraw/zinc/02/02/33/599020233.db2.gz LSVIUFQYCMQHME-UHFFFAOYSA-N -1 3 395.854 3.218 20 10 GGCDHM O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738103555 599020235 /nfs/dbraw/zinc/02/02/35/599020235.db2.gz LSVIUFQYCMQHME-UHFFFAOYSA-N -1 3 395.854 3.218 20 10 GGCDHM Cc1ccc(C)n1-c1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822231883 599173825 /nfs/dbraw/zinc/17/38/25/599173825.db2.gz KYFPNDYEURNLJH-UHFFFAOYSA-N -1 3 390.422 3.343 20 10 GGCDHM Cc1ccc(C)n1-c1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822231883 599173827 /nfs/dbraw/zinc/17/38/27/599173827.db2.gz KYFPNDYEURNLJH-UHFFFAOYSA-N -1 3 390.422 3.343 20 10 GGCDHM Fc1ccc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000737655687 598317998 /nfs/dbraw/zinc/31/79/98/598317998.db2.gz CHPURRXDAUJNSF-UHFFFAOYSA-N -1 3 381.799 3.112 20 10 GGCDHM Fc1ccc(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC000737655687 598318000 /nfs/dbraw/zinc/31/80/00/598318000.db2.gz CHPURRXDAUJNSF-UHFFFAOYSA-N -1 3 381.799 3.112 20 10 GGCDHM Cc1cc(C(=O)NCCOCCC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236118 598611896 /nfs/dbraw/zinc/61/18/96/598611896.db2.gz BLOAMZRUTYIFOU-UHFFFAOYSA-N -1 3 396.495 3.067 20 10 GGCDHM CSCCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737182993 599391888 /nfs/dbraw/zinc/39/18/88/599391888.db2.gz STSIQNFOCJAZCL-UHFFFAOYSA-N -1 3 384.509 3.147 20 10 GGCDHM CSCC[C@H](C)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737178104 599391970 /nfs/dbraw/zinc/39/19/70/599391970.db2.gz XDVAZURBOHOCNN-ZDUSSCGKSA-N -1 3 398.536 3.488 20 10 GGCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC(=S)N1Cc1ccccc1 ZINC000823504315 607462667 /nfs/dbraw/zinc/46/26/67/607462667.db2.gz OXRUSRRONMVJFV-DHDCSXOGSA-N -1 3 397.460 3.407 20 10 GGCDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC(=S)N1Cc1ccccc1 ZINC000823504315 607462669 /nfs/dbraw/zinc/46/26/69/607462669.db2.gz OXRUSRRONMVJFV-DHDCSXOGSA-N -1 3 397.460 3.407 20 10 GGCDHM C[C@@H](Oc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000833537573 604519644 /nfs/dbraw/zinc/51/96/44/604519644.db2.gz LSGOSSHBSACMGP-OXQOHEQNSA-N -1 3 385.460 3.425 20 10 GGCDHM C[C@@H](Oc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000833537573 604519645 /nfs/dbraw/zinc/51/96/45/604519645.db2.gz LSGOSSHBSACMGP-OXQOHEQNSA-N -1 3 385.460 3.425 20 10 GGCDHM COc1cc(Br)cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1[O-] ZINC000831861363 604680950 /nfs/dbraw/zinc/68/09/50/604680950.db2.gz WXOPBPLWKBTIDC-SWHYSGLUSA-N -1 3 384.270 3.381 20 10 GGCDHM COc1cc(Br)cc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1[O-] ZINC000831861363 604680954 /nfs/dbraw/zinc/68/09/54/604680954.db2.gz WXOPBPLWKBTIDC-SWHYSGLUSA-N -1 3 384.270 3.381 20 10 GGCDHM COc1cc(O)c(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1OC ZINC000833729794 605247298 /nfs/dbraw/zinc/24/72/98/605247298.db2.gz OYKMOWVGUPZVQA-KRWDZBQOSA-N -1 3 385.338 3.084 20 10 GGCDHM Cc1cc(C(=O)OCC[C@@H]2CCCC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822183898 606227781 /nfs/dbraw/zinc/22/77/81/606227781.db2.gz LCFJRZZMZHPPBS-HNNXBMFYSA-N -1 3 393.447 3.190 20 10 GGCDHM COc1ccc(N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1Cl ZINC000821828604 606882278 /nfs/dbraw/zinc/88/22/78/606882278.db2.gz ZSPYRWVERGEXKP-UHFFFAOYSA-N -1 3 397.826 3.215 20 10 GGCDHM COc1ccc(N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1Cl ZINC000821828604 606882280 /nfs/dbraw/zinc/88/22/80/606882280.db2.gz ZSPYRWVERGEXKP-UHFFFAOYSA-N -1 3 397.826 3.215 20 10 GGCDHM CSC[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821962775 607166692 /nfs/dbraw/zinc/16/66/92/607166692.db2.gz WNUNDVVFVYFTDG-QGZVFWFLSA-N -1 3 396.520 3.242 20 10 GGCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821839528 607196724 /nfs/dbraw/zinc/19/67/24/607196724.db2.gz VYFKDKZYVCGMTG-VIFPVBQESA-N -1 3 388.815 3.117 20 10 GGCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821839528 607196725 /nfs/dbraw/zinc/19/67/25/607196725.db2.gz VYFKDKZYVCGMTG-VIFPVBQESA-N -1 3 388.815 3.117 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000055668579 1407049215 /nfs/dbraw/zinc/04/92/15/1407049215.db2.gz VERRHRKOZRXILY-UHFFFAOYSA-N -1 3 388.898 3.211 20 10 GGCDHM COC(=O)c1sc2[n-]c(CN3CCCc4cc(OC)ccc43)nc(=O)c2c1C ZINC000027579456 1400061727 /nfs/dbraw/zinc/06/17/27/1400061727.db2.gz QDLYRXNNYBRSQM-UHFFFAOYSA-N -1 3 399.472 3.041 20 10 GGCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000063849025 1408427071 /nfs/dbraw/zinc/42/70/71/1408427071.db2.gz XXRPKLNIYBEBQS-UHFFFAOYSA-N -1 3 386.470 3.087 20 10 GGCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000063849077 1408427463 /nfs/dbraw/zinc/42/74/63/1408427463.db2.gz HXIZDRZWBAKSKY-UHFFFAOYSA-N -1 3 382.507 3.256 20 10 GGCDHM CCc1cccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CC)c(C)c2)c1 ZINC000176458320 1428326379 /nfs/dbraw/zinc/32/63/79/1428326379.db2.gz YIQVTQKJZMXUSN-UHFFFAOYSA-N -1 3 382.507 3.120 20 10 GGCDHM [O-]c1ccccc1C[N@H+](CCOc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000738400792 1428375102 /nfs/dbraw/zinc/37/51/02/1428375102.db2.gz JPFJAMCYACASAI-UHFFFAOYSA-N -1 3 379.464 3.396 20 10 GGCDHM [O-]c1ccccc1C[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000738400792 1428375103 /nfs/dbraw/zinc/37/51/03/1428375103.db2.gz JPFJAMCYACASAI-UHFFFAOYSA-N -1 3 379.464 3.396 20 10 GGCDHM Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000091743881 1410079252 /nfs/dbraw/zinc/07/92/52/1410079252.db2.gz WGYVELWWXORNFU-SFHVURJKSA-N -1 3 388.489 3.440 20 10 GGCDHM Cn1cc(C(=O)NCC2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)cn1 ZINC000092759508 1410198419 /nfs/dbraw/zinc/19/84/19/1410198419.db2.gz SJACUNFDXDXHJT-UHFFFAOYSA-N -1 3 397.306 3.075 20 10 GGCDHM CCCn1nc(C)c(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])c1C ZINC000093277013 1410228114 /nfs/dbraw/zinc/22/81/14/1410228114.db2.gz CSBKATSARAVEQJ-UHFFFAOYSA-N -1 3 379.888 3.444 20 10 GGCDHM C[C@H](c1cccnc1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093413079 1410243427 /nfs/dbraw/zinc/24/34/27/1410243427.db2.gz DPOKLRCESLFORI-CQSZACIVSA-N -1 3 376.298 3.429 20 10 GGCDHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093923174 1410285574 /nfs/dbraw/zinc/28/55/74/1410285574.db2.gz OEUSRQNMHZTDPG-GFCCVEGCSA-N -1 3 388.445 3.343 20 10 GGCDHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093929432 1410286254 /nfs/dbraw/zinc/28/62/54/1410286254.db2.gz AMKKNZZQNMXJDQ-NSHDSACASA-N -1 3 382.869 3.250 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000094018709 1410293726 /nfs/dbraw/zinc/29/37/26/1410293726.db2.gz PYASWCYOCXERHM-INIZCTEOSA-N -1 3 394.880 3.394 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(c3ccc(F)cc3)CCCC2)c1 ZINC000094100369 1410303686 /nfs/dbraw/zinc/30/36/86/1410303686.db2.gz UZSZUDWWUQSANX-UHFFFAOYSA-N -1 3 392.452 3.102 20 10 GGCDHM CC(C)(Cc1ccccc1Cl)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094106412 1410305029 /nfs/dbraw/zinc/30/50/29/1410305029.db2.gz RCJYGKCVDXBGHB-UHFFFAOYSA-N -1 3 396.896 3.168 20 10 GGCDHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000097377205 1410368153 /nfs/dbraw/zinc/36/81/53/1410368153.db2.gz CTXFFZXSFHCMHO-GFCCVEGCSA-N -1 3 388.445 3.309 20 10 GGCDHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1Cl ZINC000102792050 1410757547 /nfs/dbraw/zinc/75/75/47/1410757547.db2.gz GRZOXQOCBBPEDN-UHFFFAOYSA-N -1 3 396.896 3.125 20 10 GGCDHM CCOCCCNC(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177025970 1428559379 /nfs/dbraw/zinc/55/93/79/1428559379.db2.gz MYUXXESGQMGULC-UHFFFAOYSA-N -1 3 396.915 3.003 20 10 GGCDHM CC1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cc2)CC1 ZINC000108431396 1411499605 /nfs/dbraw/zinc/49/96/05/1411499605.db2.gz ZQLOCESTUMBKDO-UHFFFAOYSA-N -1 3 392.459 3.128 20 10 GGCDHM COC(=O)CN(CC(=O)Nc1cccc(C)c1C)Cc1cc(Cl)ccc1[O-] ZINC000109779750 1411809475 /nfs/dbraw/zinc/80/94/75/1411809475.db2.gz YORNQIGNMVLAGC-UHFFFAOYSA-N -1 3 390.867 3.276 20 10 GGCDHM COC(=O)CN(CCC(=O)Nc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000109779637 1411809630 /nfs/dbraw/zinc/80/96/30/1411809630.db2.gz MBUJYDGZCHHXFG-UHFFFAOYSA-N -1 3 376.840 3.049 20 10 GGCDHM COC(=O)CN(CCC(=O)Nc1ccccc1F)Cc1cc(Cl)ccc1[O-] ZINC000109779640 1411809641 /nfs/dbraw/zinc/80/96/41/1411809641.db2.gz DOZYHIZBKRQEOS-UHFFFAOYSA-N -1 3 394.830 3.189 20 10 GGCDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000109934989 1411819757 /nfs/dbraw/zinc/81/97/57/1411819757.db2.gz GXHJWBXHUQNBFT-UHFFFAOYSA-N -1 3 376.460 3.186 20 10 GGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1[O-] ZINC000177199295 1428627316 /nfs/dbraw/zinc/62/73/16/1428627316.db2.gz IUGQWTNSNWTNEZ-AWEZNQCLSA-N -1 3 390.827 3.238 20 10 GGCDHM O=C1[C@H](NCc2cc([N+](=O)[O-])ccc2[O-])CCN1c1ccc(C(F)(F)F)cc1 ZINC000113960560 1412359721 /nfs/dbraw/zinc/35/97/21/1412359721.db2.gz PNIZZWAFGBPZFN-OAHLLOKOSA-N -1 3 395.337 3.214 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCC(NC(=O)NC3CCCCC3)CC2)c1[O-] ZINC000177264642 1428661015 /nfs/dbraw/zinc/66/10/15/1428661015.db2.gz VUZCKVIWQPTOIB-UHFFFAOYSA-N -1 3 391.487 3.330 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1[O-] ZINC000177273523 1428665863 /nfs/dbraw/zinc/66/58/63/1428665863.db2.gz NEHAQSZHHZHIFL-UHFFFAOYSA-N -1 3 395.434 3.173 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCCN(C(=O)CCc3ccccc3)CC2)c1[O-] ZINC000177289062 1428673014 /nfs/dbraw/zinc/67/30/14/1428673014.db2.gz QQBVXQCENCLIHD-UHFFFAOYSA-N -1 3 398.478 3.401 20 10 GGCDHM CC(=O)c1cc(CN(C)Cc2ccc(C)cc2)c([O-])c(CN2CCOCC2)c1 ZINC000119540057 1413480300 /nfs/dbraw/zinc/48/03/00/1413480300.db2.gz IOLVDCZCSWLNGV-UHFFFAOYSA-N -1 3 382.504 3.367 20 10 GGCDHM CSCC[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1nnc2ccccn21 ZINC000119968698 1413636064 /nfs/dbraw/zinc/63/60/64/1413636064.db2.gz FDOSBXKYSZJQMC-MRXNPFEDSA-N -1 3 388.468 3.361 20 10 GGCDHM COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c([O-])c1 ZINC000120347878 1413798094 /nfs/dbraw/zinc/79/80/94/1413798094.db2.gz FRQYQRBZFPEKHP-IBGZPJMESA-N -1 3 384.476 3.288 20 10 GGCDHM COc1ccc(OC)c2c1CN(Cc1cc(Br)ccc1[O-])C[C@H]2O ZINC000121074436 1413997521 /nfs/dbraw/zinc/99/75/21/1413997521.db2.gz BFKMRPJIFKJZMH-OAHLLOKOSA-N -1 3 394.265 3.221 20 10 GGCDHM COc1ccc(OC)c2c1CN(Cc1cc(Br)ccc1[O-])C[C@@H]2O ZINC000121074292 1413997576 /nfs/dbraw/zinc/99/75/76/1413997576.db2.gz BFKMRPJIFKJZMH-HNNXBMFYSA-N -1 3 394.265 3.221 20 10 GGCDHM O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000121699028 1414228168 /nfs/dbraw/zinc/22/81/68/1414228168.db2.gz ZPAVDXZSJINBDZ-UHFFFAOYSA-N -1 3 398.887 3.081 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000121746859 1414244058 /nfs/dbraw/zinc/24/40/58/1414244058.db2.gz USZPPRYQVLNSCM-RDJZCZTQSA-N -1 3 379.453 3.120 20 10 GGCDHM COc1ccc(N2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])CC2)cc1F ZINC000122051176 1414349613 /nfs/dbraw/zinc/34/96/13/1414349613.db2.gz FXYSCDXDJZSHHZ-UHFFFAOYSA-N -1 3 376.403 3.204 20 10 GGCDHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000122477313 1414474403 /nfs/dbraw/zinc/47/44/03/1414474403.db2.gz PZEHFHFSDFBMEE-VXGBXAGGSA-N -1 3 398.322 3.315 20 10 GGCDHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000122476886 1414474638 /nfs/dbraw/zinc/47/46/38/1414474638.db2.gz PZEHFHFSDFBMEE-NEPJUHHUSA-N -1 3 398.322 3.315 20 10 GGCDHM COC(=O)CN(Cc1csc([C@H](C)OC)n1)Cc1cc(Cl)ccc1[O-] ZINC000177677027 1428831154 /nfs/dbraw/zinc/83/11/54/1428831154.db2.gz FDCJJVMWYLEGAC-NSHDSACASA-N -1 3 384.885 3.385 20 10 GGCDHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1 ZINC000123882621 1414841913 /nfs/dbraw/zinc/84/19/13/1414841913.db2.gz FKNXIYCXNFOFIU-UHFFFAOYSA-N -1 3 390.505 3.303 20 10 GGCDHM [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826511264 1428919482 /nfs/dbraw/zinc/91/94/82/1428919482.db2.gz IUFLDMZDDXUWME-NRFANRHFSA-N -1 3 387.443 3.299 20 10 GGCDHM [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826511264 1428919484 /nfs/dbraw/zinc/91/94/84/1428919484.db2.gz IUFLDMZDDXUWME-NRFANRHFSA-N -1 3 387.443 3.299 20 10 GGCDHM CC(C)N1CCN(c2cccc([N-]S(=O)(=O)c3ccccc3F)c2)CC1 ZINC000126940533 1415614351 /nfs/dbraw/zinc/61/43/51/1415614351.db2.gz AEVFDIPIYMOEPH-UHFFFAOYSA-N -1 3 377.485 3.157 20 10 GGCDHM CC(C)N1CCN(c2cccc([N-]S(=O)(=O)c3ccc(Cl)nc3)c2)CC1 ZINC000126956080 1415617641 /nfs/dbraw/zinc/61/76/41/1415617641.db2.gz BVORBXOSOFKGJT-UHFFFAOYSA-N -1 3 394.928 3.066 20 10 GGCDHM COc1ccccc1S(=O)(=O)[N-]c1cccc(N2CCN(C(C)C)CC2)c1 ZINC000126973354 1415621878 /nfs/dbraw/zinc/62/18/78/1415621878.db2.gz AAYZPGASEXYIKA-UHFFFAOYSA-N -1 3 389.521 3.026 20 10 GGCDHM O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000128134224 1415921628 /nfs/dbraw/zinc/92/16/28/1415921628.db2.gz DJIINDWXJIJZET-HNNXBMFYSA-N -1 3 379.254 3.029 20 10 GGCDHM CCN(CC)C(=O)CN1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000129240267 1416177569 /nfs/dbraw/zinc/17/75/69/1416177569.db2.gz LVXVKRJSVMCOIF-UHFFFAOYSA-N -1 3 388.339 3.075 20 10 GGCDHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000131754548 1416612871 /nfs/dbraw/zinc/61/28/71/1416612871.db2.gz IIAASNSIGFQZOJ-LSDHHAIUSA-N -1 3 388.489 3.090 20 10 GGCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccncc1Cl ZINC000134263965 1417046215 /nfs/dbraw/zinc/04/62/15/1417046215.db2.gz SVFVPGVPESHUDW-AWEZNQCLSA-N -1 3 380.275 3.488 20 10 GGCDHM Cc1cc(C=CC(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)n1-c1ccc(C)cc1 ZINC000179047562 1429249756 /nfs/dbraw/zinc/24/97/56/1429249756.db2.gz DCPDDRGWUVPXMY-RMKNXTFCSA-N -1 3 388.471 3.084 20 10 GGCDHM Cc1ccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c([O-])c1O ZINC000179540639 1429418384 /nfs/dbraw/zinc/41/83/84/1429418384.db2.gz PTKZASJUDGGXJV-HNNXBMFYSA-N -1 3 380.444 3.163 20 10 GGCDHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000179622611 1429475149 /nfs/dbraw/zinc/47/51/49/1429475149.db2.gz KRZOXKZJCPNPPH-SJCJKPOMSA-N -1 3 392.452 3.126 20 10 GGCDHM Cc1cc(Br)cc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[O-] ZINC000826256544 1429543034 /nfs/dbraw/zinc/54/30/34/1429543034.db2.gz ORVSPSLMWURWML-NSHDSACASA-N -1 3 388.269 3.494 20 10 GGCDHM CCOCCCNC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000153198425 1422389480 /nfs/dbraw/zinc/38/94/80/1422389480.db2.gz XMAWJJHGMVJFSO-UHFFFAOYSA-N -1 3 389.323 3.454 20 10 GGCDHM CC[N@H+](CCC[N-]C(=O)C(F)(F)F)Cc1cc(Br)ccc1[O-] ZINC000180697992 1429984109 /nfs/dbraw/zinc/98/41/09/1429984109.db2.gz XGPGTRQLPBAMEV-UHFFFAOYSA-N -1 3 383.208 3.045 20 10 GGCDHM CC[N@@H+](CCC[N-]C(=O)C(F)(F)F)Cc1cc(Br)ccc1[O-] ZINC000180697992 1429984112 /nfs/dbraw/zinc/98/41/12/1429984112.db2.gz XGPGTRQLPBAMEV-UHFFFAOYSA-N -1 3 383.208 3.045 20 10 GGCDHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000179805697 1429579483 /nfs/dbraw/zinc/57/94/83/1429579483.db2.gz YPBYFOASGDKELU-QGZVFWFLSA-N -1 3 390.505 3.247 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2CC(=O)c2cccs2)c1[O-] ZINC000154451575 1422890417 /nfs/dbraw/zinc/89/04/17/1422890417.db2.gz HRQUYZZYDYOYDJ-OAHLLOKOSA-N -1 3 377.437 3.269 20 10 GGCDHM O=S(=O)([N-]CCCSc1nccs1)c1ccc(Cl)nc1Cl ZINC000172076874 1425890186 /nfs/dbraw/zinc/89/01/86/1425890186.db2.gz MMRJLSAQXZALMH-UHFFFAOYSA-N -1 3 384.335 3.306 20 10 GGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2nc([C@H](C)OCC(C)C)no2)c1[O-] ZINC000175785129 1427891997 /nfs/dbraw/zinc/89/19/97/1427891997.db2.gz IHMWKBQLPMOWCH-ZDUSSCGKSA-N -1 3 379.432 3.483 20 10 GGCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1c(F)cccc1Cl ZINC000175860731 1427938264 /nfs/dbraw/zinc/93/82/64/1427938264.db2.gz KANSZTCJLLPPFN-SECBINFHSA-N -1 3 386.832 3.047 20 10 GGCDHM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c([O-])cccc1O ZINC000180857185 1430072634 /nfs/dbraw/zinc/07/26/34/1430072634.db2.gz TZYVBYQAFMMGTM-GFCCVEGCSA-N -1 3 378.375 3.098 20 10 GGCDHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000184618197 1430920913 /nfs/dbraw/zinc/92/09/13/1430920913.db2.gz JFNZWIMWRSJIGD-UHFFFAOYSA-N -1 3 380.441 3.204 20 10 GGCDHM C[C@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185146295 1431072172 /nfs/dbraw/zinc/07/21/72/1431072172.db2.gz WUKAGCBTRUSTTD-ZDUSSCGKSA-N -1 3 380.485 3.459 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000186784189 1431515987 /nfs/dbraw/zinc/51/59/87/1431515987.db2.gz VWJDLFOQVPBUMY-UHFFFAOYSA-N -1 3 380.366 3.075 20 10 GGCDHM CC[C@H](C(=O)N1CCC(NC(=O)c2cccc(O)c2[O-])CC1)c1ccccc1 ZINC000187053935 1431600479 /nfs/dbraw/zinc/60/04/79/1431600479.db2.gz ZBQIWTRXMFQPCX-KRWDZBQOSA-N -1 3 382.460 3.012 20 10 GGCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC)cc1 ZINC000187338386 1431701698 /nfs/dbraw/zinc/70/16/98/1431701698.db2.gz BCLMMRXCESEMQJ-UHFFFAOYSA-N -1 3 382.507 3.202 20 10 GGCDHM CCCN(C(=O)c1cccc(O)c1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000188356717 1431876436 /nfs/dbraw/zinc/87/64/36/1431876436.db2.gz IZAGFOZBXGJFFB-UHFFFAOYSA-N -1 3 382.460 3.255 20 10 GGCDHM CC(C)C[C@H](NCc1c([O-])ccc(Cl)c1F)c1nc(-c2nc[nH]n2)no1 ZINC000191514445 1432676941 /nfs/dbraw/zinc/67/69/41/1432676941.db2.gz UVTZNAGKVRWJLP-NSHDSACASA-N -1 3 380.811 3.230 20 10 GGCDHM O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193069338 1432931430 /nfs/dbraw/zinc/93/14/30/1432931430.db2.gz ZHTQNUUWJZINSY-UHFFFAOYSA-N -1 3 392.814 3.381 20 10 GGCDHM CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193098731 1432935595 /nfs/dbraw/zinc/93/55/95/1432935595.db2.gz TXNIOWSBKBQGPR-KRWDZBQOSA-N -1 3 376.403 3.285 20 10 GGCDHM CCS(=O)(=O)C1CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000194354888 1433166241 /nfs/dbraw/zinc/16/62/41/1433166241.db2.gz MCEHMBLIEPMCRB-UHFFFAOYSA-N -1 3 377.506 3.416 20 10 GGCDHM CCS[C@H](C)c1noc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])n1 ZINC000268885849 1434567924 /nfs/dbraw/zinc/56/79/24/1434567924.db2.gz GJWUXGGTMUYAEK-LLVKDONJSA-N -1 3 399.900 3.418 20 10 GGCDHM Cc1ccc([C@@H](C)N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1 ZINC000271174309 1434806347 /nfs/dbraw/zinc/80/63/47/1434806347.db2.gz ARVAMLRRGPNUSB-CQSZACIVSA-N -1 3 376.478 3.214 20 10 GGCDHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271290836 1434813659 /nfs/dbraw/zinc/81/36/59/1434813659.db2.gz PGZSUERRZDYEGQ-KRWDZBQOSA-N -1 3 376.478 3.377 20 10 GGCDHM C[C@H](NCc1cc(F)ccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273562317 1434996999 /nfs/dbraw/zinc/99/69/99/1434996999.db2.gz ILMKVEKBEATXPJ-ZDUSSCGKSA-N -1 3 375.400 3.127 20 10 GGCDHM CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000276604891 1435220319 /nfs/dbraw/zinc/22/03/19/1435220319.db2.gz DCCRAUXPUZBARC-UHFFFAOYSA-N -1 3 390.480 3.351 20 10 GGCDHM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc([O-])ccc1Cl ZINC000277796810 1435331372 /nfs/dbraw/zinc/33/13/72/1435331372.db2.gz VJEHJWRLOAQOFV-UHFFFAOYSA-N -1 3 378.831 3.076 20 10 GGCDHM COc1c([O-])c(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278314543 1435379010 /nfs/dbraw/zinc/37/90/10/1435379010.db2.gz XELPRHIYBLYVGF-GWQKEKGPSA-N -1 3 378.450 3.239 20 10 GGCDHM COc1cc(F)c([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000278463907 1435392765 /nfs/dbraw/zinc/39/27/65/1435392765.db2.gz FTGLUZVJXHLMJW-SNVBAGLBSA-N -1 3 380.372 3.316 20 10 GGCDHM COc1cc(F)c([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000278463906 1435392889 /nfs/dbraw/zinc/39/28/89/1435392889.db2.gz FTGLUZVJXHLMJW-JTQLQIEISA-N -1 3 380.372 3.316 20 10 GGCDHM COC(=O)N(C)Cc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278558028 1435399919 /nfs/dbraw/zinc/39/99/19/1435399919.db2.gz AVMFTIOXFFKVMW-UHFFFAOYSA-N -1 3 375.381 3.119 20 10 GGCDHM CCCS(=O)(=O)Nc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278573652 1435401469 /nfs/dbraw/zinc/40/14/69/1435401469.db2.gz DEIYMFWRIHBKAX-UHFFFAOYSA-N -1 3 395.437 3.073 20 10 GGCDHM COc1c([O-])c(CNc2cccc([C@@H](C)N3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000278837950 1435429404 /nfs/dbraw/zinc/42/94/04/1435429404.db2.gz JLNAJYIYIQNSPZ-CQSZACIVSA-N -1 3 387.436 3.314 20 10 GGCDHM COc1c([O-])c(CNc2ccc(CN(C(C)=O)C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000278935099 1435441742 /nfs/dbraw/zinc/44/17/42/1435441742.db2.gz WUZIXGVXZXGZBP-UHFFFAOYSA-N -1 3 385.420 3.432 20 10 GGCDHM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)cc1 ZINC000278959741 1435445745 /nfs/dbraw/zinc/44/57/45/1435445745.db2.gz NRLXIDZHNXVIIT-ZBFHGGJFSA-N -1 3 388.489 3.090 20 10 GGCDHM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)cc1 ZINC000278959735 1435445769 /nfs/dbraw/zinc/44/57/69/1435445769.db2.gz NRLXIDZHNXVIIT-GOEBONIOSA-N -1 3 388.489 3.090 20 10 GGCDHM CCN(CC1CCN(C(=O)c2cccc(O)c2[O-])CC1)C(=O)OC(C)(C)C ZINC000279273177 1435480250 /nfs/dbraw/zinc/48/02/50/1435480250.db2.gz KPKAOVURPPKJDA-UHFFFAOYSA-N -1 3 378.469 3.207 20 10 GGCDHM CCCN(C(=O)c1cccc(O)c1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000280030461 1435579743 /nfs/dbraw/zinc/57/97/43/1435579743.db2.gz YBPFBUHBUVHKRC-UHFFFAOYSA-N -1 3 378.469 3.350 20 10 GGCDHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000824530175 1442429864 /nfs/dbraw/zinc/42/98/64/1442429864.db2.gz JPUTYRNDZFUGGJ-CABCVRRESA-N -1 3 396.470 3.254 20 10 GGCDHM Cc1cc(Br)c(O)c(CNc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826256699 947741713 /nfs/dbraw/zinc/74/17/13/947741713.db2.gz WQXBBTSQTZYEME-UHFFFAOYSA-N -1 3 378.205 3.394 20 10 GGCDHM [O-]c1c(F)cc(Cl)cc1C[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000826510681 948432551 /nfs/dbraw/zinc/43/25/51/948432551.db2.gz FGALZTTYNXOLFY-UHFFFAOYSA-N -1 3 393.875 3.388 20 10 GGCDHM [O-]c1c(F)cc(Cl)cc1C[NH2+]CCSCc1ccccc1-c1nn[n-]n1 ZINC000826510681 948432555 /nfs/dbraw/zinc/43/25/55/948432555.db2.gz FGALZTTYNXOLFY-UHFFFAOYSA-N -1 3 393.875 3.388 20 10 GGCDHM C[C@H](Cc1ccc(O)c(O)c1)Nc1c(Br)cccc1-c1nnn[n-]1 ZINC001575187505 952441766 /nfs/dbraw/zinc/44/17/66/952441766.db2.gz CLSGNSQTPPIYSD-SECBINFHSA-N -1 3 390.241 3.084 20 10 GGCDHM C[C@H](Cc1ccc(O)c(O)c1)Nc1c(Br)cccc1-c1nn[n-]n1 ZINC001575187505 952441767 /nfs/dbraw/zinc/44/17/67/952441767.db2.gz CLSGNSQTPPIYSD-SECBINFHSA-N -1 3 390.241 3.084 20 10 GGCDHM CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001588674329 960528895 /nfs/dbraw/zinc/52/88/95/960528895.db2.gz BEAZXYZJNHPLPH-CQSZACIVSA-N -1 3 396.459 3.065 20 10 GGCDHM CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001588674329 960528912 /nfs/dbraw/zinc/52/89/12/960528912.db2.gz BEAZXYZJNHPLPH-CQSZACIVSA-N -1 3 396.459 3.065 20 10 GGCDHM O=C([O-])/C=C\c1ccc(N2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000796548097 978833374 /nfs/dbraw/zinc/83/33/74/978833374.db2.gz AGPLOZLIUWCAPY-NTMALXAHSA-N -1 3 381.432 3.405 20 10 GGCDHM COc1ccc([C@@H](NCc2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1Cl ZINC000901849259 980574424 /nfs/dbraw/zinc/57/44/24/980574424.db2.gz QGDLIQPSMPAJMS-LJQANCHMSA-N -1 3 390.867 3.101 20 10 GGCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001595747258 982413495 /nfs/dbraw/zinc/41/34/95/982413495.db2.gz DLBHARDRBLCEOZ-MRXNPFEDSA-N -1 3 384.476 3.397 20 10 GGCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001595747258 982413500 /nfs/dbraw/zinc/41/35/00/982413500.db2.gz DLBHARDRBLCEOZ-MRXNPFEDSA-N -1 3 384.476 3.397 20 10 GGCDHM CCCCN(Cc1c(O)c(C(=O)[O-])cc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC001595749252 982421717 /nfs/dbraw/zinc/42/17/17/982421717.db2.gz UPWZPPBEPOMLBY-HNNXBMFYSA-N -1 3 391.489 3.033 20 10 GGCDHM CN(C)c1ccc(/C=C/CN[C@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)cc1 ZINC001598314417 991296915 /nfs/dbraw/zinc/29/69/15/991296915.db2.gz RQPYKKKUHIZVCO-YADGQWAMSA-N -1 3 379.460 3.007 20 10 GGCDHM C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265794 994576452 /nfs/dbraw/zinc/57/64/52/994576452.db2.gz XJZHZPJWIDFYMP-UONOGXRCSA-N -1 3 378.469 3.388 20 10 GGCDHM C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593285364 994635489 /nfs/dbraw/zinc/63/54/89/994635489.db2.gz CTGWGHRKXZYAFH-QLJPJBMISA-N -1 3 380.238 3.237 20 10 GGCDHM C[C@H](Oc1ccccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)[O-] ZINC001593645190 995972021 /nfs/dbraw/zinc/97/20/21/995972021.db2.gz QDRHNOLWWJBUFB-LPHOPBHVSA-N -1 3 385.460 3.425 20 10 GGCDHM C[C@H](Oc1ccccc1CNCc1ccc(N2CCSCC2)cc1)C(=O)[O-] ZINC001593647786 995992711 /nfs/dbraw/zinc/99/27/11/995992711.db2.gz AUMQHWOQVLCFPA-INIZCTEOSA-N -1 3 386.517 3.382 20 10 GGCDHM COc1cc(C)c(C[N@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001599391369 997043022 /nfs/dbraw/zinc/04/30/22/997043022.db2.gz TWELYKYBCQYWRD-DLBZAZTESA-N -1 3 377.387 3.288 20 10 GGCDHM COc1cc(C)c(C[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001599391369 997043030 /nfs/dbraw/zinc/04/30/30/997043030.db2.gz TWELYKYBCQYWRD-DLBZAZTESA-N -1 3 377.387 3.288 20 10 GGCDHM COc1cc(Br)cc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1O ZINC001599346562 998016438 /nfs/dbraw/zinc/01/64/38/998016438.db2.gz ISJPIQURIDDPDY-CQSZACIVSA-N -1 3 384.201 3.218 20 10 GGCDHM O=S(=O)([N-]c1ccc(F)cc1Br)c1cccc2nsnc21 ZINC000036961545 564419470 /nfs/dbraw/zinc/41/94/70/564419470.db2.gz GFVMBCUHGBFYAD-UHFFFAOYSA-N -1 3 388.243 3.394 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCCC(C)(C)CO ZINC000122711506 564424642 /nfs/dbraw/zinc/42/46/42/564424642.db2.gz CTJDQCQJSIKBQL-UHFFFAOYSA-N -1 3 387.318 3.485 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1c(C)cc(C)[nH]c1=O ZINC000137252751 564860410 /nfs/dbraw/zinc/86/04/10/564860410.db2.gz QQQAELYDKBZVPX-UHFFFAOYSA-N -1 3 379.254 3.122 20 10 GGCDHM COc1cc(Br)cc(CN2CCC(N3CCCCC3=O)CC2)c1[O-] ZINC000093741491 564889635 /nfs/dbraw/zinc/88/96/35/564889635.db2.gz KFGXRSIJMXSBDN-UHFFFAOYSA-N -1 3 397.313 3.140 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1c(C)ccn(C)c1=O ZINC000155208696 565064226 /nfs/dbraw/zinc/06/42/26/565064226.db2.gz HSWWIGUYMQNNCN-UHFFFAOYSA-N -1 3 394.269 3.216 20 10 GGCDHM CC(C)N(C)S(=O)(=O)c1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000113327956 565069264 /nfs/dbraw/zinc/06/92/64/565069264.db2.gz SBWNVKUYVUNLFS-UHFFFAOYSA-N -1 3 382.913 3.364 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000266516395 565082529 /nfs/dbraw/zinc/08/25/29/565082529.db2.gz IYXVCVATUJRNJS-LLVKDONJSA-N -1 3 378.270 3.031 20 10 GGCDHM CCN(Cc1nnc2n1CCCCC2)Cc1cc(Br)ccc1[O-] ZINC000266652054 565087451 /nfs/dbraw/zinc/08/74/51/565087451.db2.gz YSGQLWQKMWETDC-UHFFFAOYSA-N -1 3 379.302 3.495 20 10 GGCDHM CC[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000156613834 565097631 /nfs/dbraw/zinc/09/76/31/565097631.db2.gz KFDYIKCTMOZUMB-ZIAGYGMSSA-N -1 3 383.279 3.279 20 10 GGCDHM CC[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000156614099 565098352 /nfs/dbraw/zinc/09/83/52/565098352.db2.gz KFDYIKCTMOZUMB-KGLIPLIRSA-N -1 3 383.279 3.279 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCc1nnc(C)s1 ZINC000292294229 565108885 /nfs/dbraw/zinc/10/88/85/565108885.db2.gz KSTWLKMEJISEEU-UHFFFAOYSA-N -1 3 399.314 3.089 20 10 GGCDHM Cn1cc(Br)c(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000292990720 565144909 /nfs/dbraw/zinc/14/49/09/565144909.db2.gz RWUVKLUJMDWONG-AWEZNQCLSA-N -1 3 380.286 3.069 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnc2n1CCCC2 ZINC000371017140 565173270 /nfs/dbraw/zinc/17/32/70/565173270.db2.gz HUWZNGMZMOOGQA-UHFFFAOYSA-N -1 3 378.270 3.350 20 10 GGCDHM O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[N-]OCC1CC1 ZINC000293727346 565181245 /nfs/dbraw/zinc/18/12/45/565181245.db2.gz HILNQCIAGRILMK-LCYFTJDESA-N -1 3 382.532 3.187 20 10 GGCDHM CC(C)CO[N-]C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000269701329 565198128 /nfs/dbraw/zinc/19/81/28/565198128.db2.gz KHDZJMAVSBGKGK-LCYFTJDESA-N -1 3 384.548 3.433 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000270310154 565214773 /nfs/dbraw/zinc/21/47/73/565214773.db2.gz PSSQRJQMBJCIHS-NSHDSACASA-N -1 3 378.270 3.031 20 10 GGCDHM COc1cc(Br)cc(CN2CCC[C@@H](N3CCCCC3=O)C2)c1[O-] ZINC000372413368 565236612 /nfs/dbraw/zinc/23/66/12/565236612.db2.gz KQKUTCIVQKIOBC-OAHLLOKOSA-N -1 3 397.313 3.140 20 10 GGCDHM Cc1cc(N2CC[C@H](N[C@H](C)c3ccc(Cl)c(Cl)c3[O-])C2=O)n(C)n1 ZINC000186083704 565238306 /nfs/dbraw/zinc/23/83/06/565238306.db2.gz VCODXTAQFUWDHU-MFKMUULPSA-N -1 3 383.279 3.197 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CC1CC(F)(F)C1 ZINC000295164050 565249674 /nfs/dbraw/zinc/24/96/74/565249674.db2.gz FRHPIMGFYDQDBS-UHFFFAOYSA-N -1 3 398.269 3.352 20 10 GGCDHM CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2[O-])c1 ZINC000273401614 565320401 /nfs/dbraw/zinc/32/04/01/565320401.db2.gz NEITWGLZIVVESJ-SNVBAGLBSA-N -1 3 389.304 3.458 20 10 GGCDHM CNS(=O)(=O)c1cccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2[O-])c1 ZINC000273401608 565320417 /nfs/dbraw/zinc/32/04/17/565320417.db2.gz NEITWGLZIVVESJ-JTQLQIEISA-N -1 3 389.304 3.458 20 10 GGCDHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(NS(=O)(=O)CC)c(C)c1 ZINC000187318225 565322654 /nfs/dbraw/zinc/32/26/54/565322654.db2.gz AJKSKUOSRZSJTB-UHFFFAOYSA-N -1 3 382.507 3.120 20 10 GGCDHM COc1cc(Br)cc(CN2CCC(C)(c3nc(C)no3)CC2)c1[O-] ZINC000374745610 565353400 /nfs/dbraw/zinc/35/34/00/565353400.db2.gz YAEDSEFVYYEJKU-UHFFFAOYSA-N -1 3 396.285 3.408 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000188520599 565406937 /nfs/dbraw/zinc/40/69/37/565406937.db2.gz JWXVRDCFULOANZ-DOMZBBRYSA-N -1 3 385.302 3.237 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1occ2c1CCOC2 ZINC000376122800 565422372 /nfs/dbraw/zinc/42/23/72/565422372.db2.gz LYQWGVJNYVSEGH-UHFFFAOYSA-N -1 3 380.238 3.483 20 10 GGCDHM COc1cc(Br)cc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1[O-] ZINC000377626172 565490342 /nfs/dbraw/zinc/49/03/42/565490342.db2.gz LSLULNGTMUSLPL-AWEZNQCLSA-N -1 3 398.219 3.443 20 10 GGCDHM CN(C)Cc1cccc(CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000278472504 565561212 /nfs/dbraw/zinc/56/12/12/565561212.db2.gz WYXTXWONWGKUHP-UHFFFAOYSA-N -1 3 392.297 3.216 20 10 GGCDHM CCN(CC(=O)N(C)c1nccs1)Cc1cc(Br)ccc1[O-] ZINC000174425622 565635080 /nfs/dbraw/zinc/63/50/80/565635080.db2.gz OKCLFHYTEGAYNI-UHFFFAOYSA-N -1 3 384.299 3.096 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)c1cn(C)nc1C ZINC000175108832 565680418 /nfs/dbraw/zinc/68/04/18/565680418.db2.gz IVAWJKCWOYDVCJ-LLVKDONJSA-N -1 3 395.301 3.489 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCOC1CCOCC1 ZINC000175552159 565708296 /nfs/dbraw/zinc/70/82/96/565708296.db2.gz JYZKGVWLDJFYGO-UHFFFAOYSA-N -1 3 386.286 3.089 20 10 GGCDHM Cc1cc(N2CC[C@H](N[C@@H](C)c3cc(Cl)c(Cl)cc3[O-])C2=O)n(C)n1 ZINC000193010690 565724502 /nfs/dbraw/zinc/72/45/02/565724502.db2.gz LVKZIUFXBUJCSL-HZMBPMFUSA-N -1 3 383.279 3.197 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccccc2Br)C1 ZINC000192999893 565724612 /nfs/dbraw/zinc/72/46/12/565724612.db2.gz AXOIAOVIIFLNAD-HNNXBMFYSA-N -1 3 378.222 3.074 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CC[C@H](C(=O)OC)CC1 ZINC000281371508 565727100 /nfs/dbraw/zinc/72/71/00/565727100.db2.gz TVXWOOVGGAPIFP-JOCQHMNTSA-N -1 3 398.297 3.483 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cn1c(C)c(C)sc1=O ZINC000175844688 565727189 /nfs/dbraw/zinc/72/71/89/565727189.db2.gz DEMQXHLMLZZLRU-UHFFFAOYSA-N -1 3 399.310 3.043 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCCc1nc(C)no1 ZINC000175841732 565727382 /nfs/dbraw/zinc/72/73/82/565727382.db2.gz BHMJGGIKACOMKN-UHFFFAOYSA-N -1 3 382.258 3.218 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCc1c(C)nn(C)c1C ZINC000175843277 565727400 /nfs/dbraw/zinc/72/74/00/565727400.db2.gz ZKHYHVQJGISHQC-UHFFFAOYSA-N -1 3 394.313 3.486 20 10 GGCDHM COc1ccc(NCc2cc(Cl)cc(OC)c2O)cc1[N-]S(C)(=O)=O ZINC000282870439 565800233 /nfs/dbraw/zinc/80/02/33/565800233.db2.gz VSGSGNXTDYQDHQ-UHFFFAOYSA-N -1 3 386.857 3.046 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ccoc1CC(=O)OC ZINC000283485118 565820671 /nfs/dbraw/zinc/82/06/71/565820671.db2.gz QEUJNRGPYYORKE-UHFFFAOYSA-N -1 3 396.237 3.126 20 10 GGCDHM CC[C@@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287265536 566007961 /nfs/dbraw/zinc/00/79/61/566007961.db2.gz AQTCZWUFIULSRU-IUODEOHRSA-N -1 3 377.794 3.270 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@H]1CCOC[C@@H]1C ZINC000287709217 566035950 /nfs/dbraw/zinc/03/59/50/566035950.db2.gz BOXIFHVLNRYEBP-QWHCGFSZSA-N -1 3 385.302 3.359 20 10 GGCDHM C[C@@H](O)[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180865269 566094147 /nfs/dbraw/zinc/09/41/47/566094147.db2.gz XNUPCBHEOQDSFG-BDAKNGLRSA-N -1 3 379.092 3.120 20 10 GGCDHM [O-]c1ccc(Br)cc1CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000288570930 566080022 /nfs/dbraw/zinc/08/00/22/566080022.db2.gz ZQLVXDFEJWMVSA-CYBMUJFWSA-N -1 3 393.281 3.255 20 10 GGCDHM Cc1cc(Br)cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000289786774 566140152 /nfs/dbraw/zinc/14/01/52/566140152.db2.gz RVTNLIRZZVBBSI-YPMHNXCESA-N -1 3 382.220 3.456 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC000368152507 566231477 /nfs/dbraw/zinc/23/14/77/566231477.db2.gz RWTAWTBPWULNTQ-ZDUSSCGKSA-N -1 3 392.297 3.271 20 10 GGCDHM C[C@@H](NC(c1nccn1C)c1nccn1C)c1cc(Br)ccc1[O-] ZINC000527949606 567386360 /nfs/dbraw/zinc/38/63/60/567386360.db2.gz WFCPQHLHROUGNF-LLVKDONJSA-N -1 3 390.285 3.062 20 10 GGCDHM C[C@@H](NC(c1nccn1C)c1nccn1C)c1ccc(Br)cc1[O-] ZINC000527944184 567386723 /nfs/dbraw/zinc/38/67/23/567386723.db2.gz HBLOZYZGCHITIV-LLVKDONJSA-N -1 3 390.285 3.062 20 10 GGCDHM CC(C)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Cc1ccccc1 ZINC000170605703 570863352 /nfs/dbraw/zinc/86/33/52/570863352.db2.gz CAKQPIYRXBZGOF-INIZCTEOSA-N -1 3 390.505 3.008 20 10 GGCDHM CCO[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C12CCC2 ZINC000170614014 570871465 /nfs/dbraw/zinc/87/14/65/570871465.db2.gz QUFCUBPKBKKAEJ-HZPDHXFCSA-N -1 3 378.856 3.158 20 10 GGCDHM COc1ccc(CN2CCN(Cc3c([O-])ccc4ccncc43)CC2)cc1F ZINC000032888176 570885008 /nfs/dbraw/zinc/88/50/08/570885008.db2.gz LPIACWZKMUSPGK-UHFFFAOYSA-N -1 3 381.451 3.406 20 10 GGCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)SC(=S)N1C(C1CC1)C1CC1 ZINC000738288592 599184827 /nfs/dbraw/zinc/18/48/27/599184827.db2.gz CCVDBKHDJPICPF-ZROIWOOFSA-N -1 3 383.502 3.257 20 10 GGCDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)SC(=S)N1C(C1CC1)C1CC1 ZINC000738288592 599184829 /nfs/dbraw/zinc/18/48/29/599184829.db2.gz CCVDBKHDJPICPF-ZROIWOOFSA-N -1 3 383.502 3.257 20 10 GGCDHM CCCN(Cc1ccccc1O)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821110283 607305449 /nfs/dbraw/zinc/30/54/49/607305449.db2.gz ZDPOKVXNYKUKMQ-UHFFFAOYSA-N -1 3 378.358 3.403 20 10 GGCDHM CCCN(Cc1ccccc1O)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821110283 607305450 /nfs/dbraw/zinc/30/54/50/607305450.db2.gz ZDPOKVXNYKUKMQ-UHFFFAOYSA-N -1 3 378.358 3.403 20 10 GGCDHM CN(C)c1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736774637 598318904 /nfs/dbraw/zinc/31/89/04/598318904.db2.gz WAZMXKUXHYJDAK-UHFFFAOYSA-N -1 3 387.900 3.073 20 10 GGCDHM CN(C)c1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736774637 598318906 /nfs/dbraw/zinc/31/89/06/598318906.db2.gz WAZMXKUXHYJDAK-UHFFFAOYSA-N -1 3 387.900 3.073 20 10 GGCDHM CC1CCN(c2ccc(CNC(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000736280939 598511344 /nfs/dbraw/zinc/51/13/44/598511344.db2.gz RPXDASPTGOMQRV-UHFFFAOYSA-N -1 3 391.479 3.425 20 10 GGCDHM CC1CCN(c2ccc(CNC(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000736280939 598511346 /nfs/dbraw/zinc/51/13/46/598511346.db2.gz RPXDASPTGOMQRV-UHFFFAOYSA-N -1 3 391.479 3.425 20 10 GGCDHM CCN(CC)c1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1F ZINC000736531927 598556775 /nfs/dbraw/zinc/55/67/75/598556775.db2.gz MSNDNLLXHYCZIX-UHFFFAOYSA-N -1 3 385.403 3.372 20 10 GGCDHM CCN(CC)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1F ZINC000736531927 598556776 /nfs/dbraw/zinc/55/67/76/598556776.db2.gz MSNDNLLXHYCZIX-UHFFFAOYSA-N -1 3 385.403 3.372 20 10 GGCDHM CCN(CC)c1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000736532988 598561310 /nfs/dbraw/zinc/56/13/10/598561310.db2.gz WZGNTRGVQBRIAP-UHFFFAOYSA-N -1 3 383.431 3.174 20 10 GGCDHM CCN(CC)c1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736532988 598561311 /nfs/dbraw/zinc/56/13/11/598561311.db2.gz WZGNTRGVQBRIAP-UHFFFAOYSA-N -1 3 383.431 3.174 20 10 GGCDHM Cc1cc(C(=O)N[C@@H](C)Cc2ccco2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234278 598610592 /nfs/dbraw/zinc/61/05/92/598610592.db2.gz ODKUBKAJWMDUBZ-ZDUSSCGKSA-N -1 3 390.447 3.228 20 10 GGCDHM Cc1cc(C(=O)NCc2ccc(Cl)o2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236642 598611080 /nfs/dbraw/zinc/61/10/80/598611080.db2.gz PLXNSQBLJNSWQY-UHFFFAOYSA-N -1 3 396.838 3.451 20 10 GGCDHM OCC1CCN(c2ccc(CNc3cc(Cl)ccc3-c3nnn[n-]3)cc2)CC1 ZINC000738395795 598635739 /nfs/dbraw/zinc/63/57/39/598635739.db2.gz ZFXPGSSCXWUKRY-UHFFFAOYSA-N -1 3 398.898 3.341 20 10 GGCDHM OCC1CCN(c2ccc(CNc3cc(Cl)ccc3-c3nn[n-]n3)cc2)CC1 ZINC000738395795 598635741 /nfs/dbraw/zinc/63/57/41/598635741.db2.gz ZFXPGSSCXWUKRY-UHFFFAOYSA-N -1 3 398.898 3.341 20 10 GGCDHM CCc1cnc(COC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)o1 ZINC000821499555 599660149 /nfs/dbraw/zinc/66/01/49/599660149.db2.gz MRHNSRXWPVIXAX-UHFFFAOYSA-N -1 3 392.419 3.182 20 10 GGCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC(=S)N1c1ccccc1 ZINC000823504551 607457040 /nfs/dbraw/zinc/45/70/40/607457040.db2.gz RJJRPOULKISJOF-NTEUORMPSA-N -1 3 383.433 3.412 20 10 GGCDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC(=S)N1c1ccccc1 ZINC000823504551 607457044 /nfs/dbraw/zinc/45/70/44/607457044.db2.gz RJJRPOULKISJOF-NTEUORMPSA-N -1 3 383.433 3.412 20 10 GGCDHM [O-]c1c(Br)cccc1C[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826510791 607704981 /nfs/dbraw/zinc/70/49/81/607704981.db2.gz KQDHENIYSISNCH-UHFFFAOYSA-N -1 3 386.253 3.114 20 10 GGCDHM COc1cc(O)c(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1OC ZINC000833729796 605247726 /nfs/dbraw/zinc/24/77/26/605247726.db2.gz OYKMOWVGUPZVQA-QGZVFWFLSA-N -1 3 385.338 3.084 20 10 GGCDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1c1ccccc1F ZINC000823503924 606335305 /nfs/dbraw/zinc/33/53/05/606335305.db2.gz KRVSMVBBCNXIEV-SDQBBNPISA-N -1 3 389.462 3.473 20 10 GGCDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)SC(=S)N1c1ccccc1F ZINC000823503924 606335306 /nfs/dbraw/zinc/33/53/06/606335306.db2.gz KRVSMVBBCNXIEV-SDQBBNPISA-N -1 3 389.462 3.473 20 10 GGCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1c1ccc(F)cc1 ZINC000823504682 606390134 /nfs/dbraw/zinc/39/01/34/606390134.db2.gz STNGTVPHJHAZJS-GHXNOFRVSA-N -1 3 389.462 3.473 20 10 GGCDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821610910 606520125 /nfs/dbraw/zinc/52/01/25/606520125.db2.gz JZSNMMFFVKNKQT-UHFFFAOYSA-N -1 3 390.491 3.058 20 10 GGCDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821610910 606520126 /nfs/dbraw/zinc/52/01/26/606520126.db2.gz JZSNMMFFVKNKQT-UHFFFAOYSA-N -1 3 390.491 3.058 20 10 GGCDHM Cc1cc(C(=O)Nc2scnc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822482332 606768637 /nfs/dbraw/zinc/76/86/37/606768637.db2.gz PWRCZUYTMWUUOX-UHFFFAOYSA-N -1 3 379.449 3.291 20 10 GGCDHM Cc1cc(C(=O)N[C@@H]2CCC(F)(F)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168517 606953517 /nfs/dbraw/zinc/95/35/17/606953517.db2.gz PICQTMKQEBPJPQ-CQSZACIVSA-N -1 3 386.406 3.192 20 10 GGCDHM CN(C)c1ccc(CN(Cc2ccco2)c2ncccc2-c2nnn[n-]2)cc1 ZINC000821589413 607114800 /nfs/dbraw/zinc/11/48/00/607114800.db2.gz MMZWNVUITYLRKJ-UHFFFAOYSA-N -1 3 375.436 3.128 20 10 GGCDHM CN(C)c1ccc(CN(Cc2ccco2)c2ncccc2-c2nn[n-]n2)cc1 ZINC000821589413 607114801 /nfs/dbraw/zinc/11/48/01/607114801.db2.gz MMZWNVUITYLRKJ-UHFFFAOYSA-N -1 3 375.436 3.128 20 10 GGCDHM CCc1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)o1 ZINC000821481007 607145062 /nfs/dbraw/zinc/14/50/62/607145062.db2.gz HHCXJCJHNZAVLC-ZROIWOOFSA-N -1 3 383.458 3.428 20 10 GGCDHM CCc1ccc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)o1 ZINC000821481007 607145063 /nfs/dbraw/zinc/14/50/63/607145063.db2.gz HHCXJCJHNZAVLC-ZROIWOOFSA-N -1 3 383.458 3.428 20 10 GGCDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)SC(=S)N1c1ccc(F)cc1 ZINC000826476591 607884091 /nfs/dbraw/zinc/88/40/91/607884091.db2.gz KVUKGBQOFDBUPJ-NTEUORMPSA-N -1 3 383.433 3.412 20 10 GGCDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)SC(=S)N1c1ccc(F)cc1 ZINC000826476591 607884092 /nfs/dbraw/zinc/88/40/92/607884092.db2.gz KVUKGBQOFDBUPJ-NTEUORMPSA-N -1 3 383.433 3.412 20 10 GGCDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000824324572 609478964 /nfs/dbraw/zinc/47/89/64/609478964.db2.gz QAKCKSUMEOOGIU-UHFFFAOYSA-N -1 3 394.479 3.103 20 10 GGCDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000824324572 609478966 /nfs/dbraw/zinc/47/89/66/609478966.db2.gz QAKCKSUMEOOGIU-UHFFFAOYSA-N -1 3 394.479 3.103 20 10 GGCDHM CC(C)c1ccc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000055113599 1406887895 /nfs/dbraw/zinc/88/78/95/1406887895.db2.gz SLDZAKDMCJSKQO-UHFFFAOYSA-N -1 3 376.478 3.159 20 10 GGCDHM CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014253405 1399095206 /nfs/dbraw/zinc/09/52/06/1399095206.db2.gz UBBIHOUGZSVUMI-UHFFFAOYSA-N -1 3 382.507 3.338 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000055639187 1407035882 /nfs/dbraw/zinc/03/58/82/1407035882.db2.gz PJPATXYEUDZDGG-UHFFFAOYSA-N -1 3 392.861 3.042 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000055639173 1407036015 /nfs/dbraw/zinc/03/60/15/1407036015.db2.gz MVSIUJHIQSDRRS-UHFFFAOYSA-N -1 3 390.486 3.402 20 10 GGCDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CC)c(C)c2)cc1 ZINC000055668483 1407049181 /nfs/dbraw/zinc/04/91/81/1407049181.db2.gz WCUKRSKMEQHDEX-UHFFFAOYSA-N -1 3 382.507 3.120 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1C ZINC000055668577 1407049391 /nfs/dbraw/zinc/04/93/91/1407049391.db2.gz BDTPUSROEUCSOZ-UHFFFAOYSA-N -1 3 388.898 3.211 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1C ZINC000055668586 1407049724 /nfs/dbraw/zinc/04/97/24/1407049724.db2.gz VPYWHGAOIYTIGQ-UHFFFAOYSA-N -1 3 382.507 3.174 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000051418776 1405807838 /nfs/dbraw/zinc/80/78/38/1405807838.db2.gz CKRKMVUDEODJES-UHFFFAOYSA-N -1 3 394.880 3.226 20 10 GGCDHM Cc1nc(C)c(CCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c(=O)[n-]1 ZINC000067299733 1409067637 /nfs/dbraw/zinc/06/76/37/1409067637.db2.gz WRXPIBDREJLTRT-UHFFFAOYSA-N -1 3 396.535 3.405 20 10 GGCDHM C[C@@H]1CCCN(C(=O)C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000091949257 1410094662 /nfs/dbraw/zinc/09/46/62/1410094662.db2.gz XIJAWPOUPCGVMO-CYBMUJFWSA-N -1 3 395.887 3.424 20 10 GGCDHM O=C(CC1CCN(Cc2cccc(Br)c2[O-])CC1)N1CCCC1 ZINC000092056492 1410103003 /nfs/dbraw/zinc/10/30/03/1410103003.db2.gz PJOALOLJYIMOHI-UHFFFAOYSA-N -1 3 381.314 3.379 20 10 GGCDHM COC(=O)CN(Cc1ccc(NC(C)=O)cc1)Cc1cc(Cl)ccc1[O-] ZINC000093277098 1410228782 /nfs/dbraw/zinc/22/87/82/1410228782.db2.gz HRBAGIOTBGZPFS-UHFFFAOYSA-N -1 3 376.840 3.179 20 10 GGCDHM COc1ccc(CN(CCO)Cc2cccc(Br)c2[O-])c(OC)c1 ZINC000093363764 1410240318 /nfs/dbraw/zinc/24/03/18/1410240318.db2.gz PDKMYIFNXOHPJP-UHFFFAOYSA-N -1 3 396.281 3.166 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2CCc2ccccc2)c1 ZINC000094019544 1410294118 /nfs/dbraw/zinc/29/41/18/1410294118.db2.gz XZJIJILZBMAYDO-QGZVFWFLSA-N -1 3 388.489 3.001 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2CC2CCCCC2)c1 ZINC000094069536 1410301660 /nfs/dbraw/zinc/30/16/60/1410301660.db2.gz HSQVEUOMGOFNGP-INIZCTEOSA-N -1 3 380.510 3.339 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000094080660 1410302156 /nfs/dbraw/zinc/30/21/56/1410302156.db2.gz JJZIUOVPWWIHGC-QGZVFWFLSA-N -1 3 388.489 3.001 20 10 GGCDHM COC(=O)CN(Cc1nc(-c2cccs2)no1)Cc1cc(Cl)ccc1[O-] ZINC000109779547 1411809436 /nfs/dbraw/zinc/80/94/36/1411809436.db2.gz LNJZYCDXLXFTKF-UHFFFAOYSA-N -1 3 393.852 3.332 20 10 GGCDHM CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000177245988 1428649319 /nfs/dbraw/zinc/64/93/19/1428649319.db2.gz BKMYOYAFQGYRGC-UHFFFAOYSA-N -1 3 376.403 3.011 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3ccc(C)s3)CC2)c1[O-] ZINC000177263504 1428660477 /nfs/dbraw/zinc/66/04/77/1428660477.db2.gz FIHXKVZGQCUFAG-UHFFFAOYSA-N -1 3 376.453 3.062 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1[O-] ZINC000177263721 1428660498 /nfs/dbraw/zinc/66/04/98/1428660498.db2.gz UTOGGEKOSHOIHT-UHFFFAOYSA-N -1 3 385.439 3.288 20 10 GGCDHM CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1[O-] ZINC000177276870 1428667419 /nfs/dbraw/zinc/66/74/19/1428667419.db2.gz RZVUYXHOTJCIFP-LLVKDONJSA-N -1 3 396.896 3.089 20 10 GGCDHM CC(=O)c1cc(Cl)cc(CN2CCCN(c3nc(C)ns3)CC2)c1[O-] ZINC000177351801 1428702076 /nfs/dbraw/zinc/70/20/76/1428702076.db2.gz OPCLLRTWNKWAKC-UHFFFAOYSA-N -1 3 380.901 3.120 20 10 GGCDHM Cc1cccc(C)c1NC(=O)CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000119411920 1413438423 /nfs/dbraw/zinc/43/84/23/1413438423.db2.gz ZMXGQSIJTKEWNM-UHFFFAOYSA-N -1 3 387.911 3.419 20 10 GGCDHM CC(C)N1CCN(c2cccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)CC1 ZINC000119655322 1413517394 /nfs/dbraw/zinc/51/73/94/1413517394.db2.gz QRJAHSKVURPVND-UHFFFAOYSA-N -1 3 384.436 3.083 20 10 GGCDHM COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c([O-])c1 ZINC000120348026 1413798160 /nfs/dbraw/zinc/79/81/60/1413798160.db2.gz FRQYQRBZFPEKHP-LJQANCHMSA-N -1 3 384.476 3.288 20 10 GGCDHM COc1cccc(C(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)c1OC ZINC000120502661 1413831798 /nfs/dbraw/zinc/83/17/98/1413831798.db2.gz SFSQLUPFGIVYEJ-UHFFFAOYSA-N -1 3 390.867 3.021 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000121747034 1414244114 /nfs/dbraw/zinc/24/41/14/1414244114.db2.gz USZPPRYQVLNSCM-WBVHZDCISA-N -1 3 379.453 3.120 20 10 GGCDHM COc1ccc(N2CCC([N-]S(=O)(=O)c3cc(F)c(C)cc3F)CC2)cc1 ZINC000122125251 1414368893 /nfs/dbraw/zinc/36/88/93/1414368893.db2.gz NNEGKINHZOSUNA-UHFFFAOYSA-N -1 3 396.459 3.229 20 10 GGCDHM C[C@@H]1[C@H](C)N(Cc2c([O-])ccc3cc(Br)ccc32)CCS1(=O)=O ZINC000122477501 1414474477 /nfs/dbraw/zinc/47/44/77/1414474477.db2.gz PZEHFHFSDFBMEE-NWDGAFQWSA-N -1 3 398.322 3.315 20 10 GGCDHM COc1ccc(C(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)cc1OC ZINC000125474399 1415209859 /nfs/dbraw/zinc/20/98/59/1415209859.db2.gz ZZSQUJPRXJSRIC-UHFFFAOYSA-N -1 3 390.867 3.021 20 10 GGCDHM Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000130147183 1416326911 /nfs/dbraw/zinc/32/69/11/1416326911.db2.gz BRGKTBSAZBOZQE-CQSZACIVSA-N -1 3 397.306 3.135 20 10 GGCDHM COc1ccc2ccc([O-])c(CN3CCn4c(nnc4C(F)(F)F)C3)c2c1 ZINC000131432728 1416556904 /nfs/dbraw/zinc/55/69/04/1416556904.db2.gz ZIDCOJZRDBASSC-UHFFFAOYSA-N -1 3 378.354 3.180 20 10 GGCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc2ccccc21 ZINC000135277471 1417201503 /nfs/dbraw/zinc/20/15/03/1417201503.db2.gz XOYBXLPXKKRCTL-ZDUSSCGKSA-N -1 3 384.457 3.408 20 10 GGCDHM CCN(Cc1ccccc1Cl)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000135378283 1417212828 /nfs/dbraw/zinc/21/28/28/1417212828.db2.gz OFEISKKQFRFQMD-UHFFFAOYSA-N -1 3 382.869 3.079 20 10 GGCDHM CCOc1ccc(N(C)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)cc1 ZINC000150730677 1417793628 /nfs/dbraw/zinc/79/36/28/1417793628.db2.gz XMLPCXRALISRBI-UHFFFAOYSA-N -1 3 387.461 3.115 20 10 GGCDHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000179622586 1429475190 /nfs/dbraw/zinc/47/51/90/1429475190.db2.gz KRZOXKZJCPNPPH-YVEFUNNKSA-N -1 3 392.452 3.126 20 10 GGCDHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000179622573 1429475264 /nfs/dbraw/zinc/47/52/64/1429475264.db2.gz KRZOXKZJCPNPPH-SJKOYZFVSA-N -1 3 392.452 3.126 20 10 GGCDHM CCCCCNC(=O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000152999319 1422321578 /nfs/dbraw/zinc/32/15/78/1422321578.db2.gz WMTPERZDYPTTCH-UHFFFAOYSA-N -1 3 383.876 3.472 20 10 GGCDHM CCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)cc1F ZINC000179801942 1429575441 /nfs/dbraw/zinc/57/54/41/1429575441.db2.gz CTYIIVYTHOJXLQ-INIZCTEOSA-N -1 3 398.431 3.313 20 10 GGCDHM [O-]c1ccc(Cl)cc1CN1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000179882185 1429622630 /nfs/dbraw/zinc/62/26/30/1429622630.db2.gz ZQGSYMCFIQECKN-UHFFFAOYSA-N -1 3 390.896 3.475 20 10 GGCDHM Cc1ccc(-c2noc(CN3CCN(Cc4cc(F)ccc4[O-])CC3)n2)cc1 ZINC000179901871 1429631973 /nfs/dbraw/zinc/63/19/73/1429631973.db2.gz ACYZJDVLEFIZEU-UHFFFAOYSA-N -1 3 382.439 3.208 20 10 GGCDHM O=C(c1cccc(F)c1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000179996932 1429680879 /nfs/dbraw/zinc/68/08/79/1429680879.db2.gz POSKUOWLKQOUGA-UHFFFAOYSA-N -1 3 393.256 3.252 20 10 GGCDHM CCN(CC(=O)NCc1ccc(F)cc1)Cc1cccc(Br)c1[O-] ZINC000160234249 1424588894 /nfs/dbraw/zinc/58/88/94/1424588894.db2.gz VXPXEKBTYZGFHZ-UHFFFAOYSA-N -1 3 395.272 3.432 20 10 GGCDHM CN1CCC[C@@H]2C[N@H+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])CC[C@@H]21 ZINC000164610774 1425128876 /nfs/dbraw/zinc/12/88/76/1425128876.db2.gz KZBHTNSXANZFDV-XLIONFOSSA-N -1 3 380.488 3.245 20 10 GGCDHM CN1CCC[C@@H]2C[N@@H+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])CC[C@@H]21 ZINC000164610774 1425128886 /nfs/dbraw/zinc/12/88/86/1425128886.db2.gz KZBHTNSXANZFDV-XLIONFOSSA-N -1 3 380.488 3.245 20 10 GGCDHM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCc3c(C)cccc3C2)c1 ZINC000170903691 1425386478 /nfs/dbraw/zinc/38/64/78/1425386478.db2.gz OMTDOQDCAFVCQB-UHFFFAOYSA-N -1 3 394.515 3.294 20 10 GGCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cc2ccccc2s1 ZINC000170968943 1425420450 /nfs/dbraw/zinc/42/04/50/1425420450.db2.gz XDWOFAFWZDXWLE-NSHDSACASA-N -1 3 390.486 3.469 20 10 GGCDHM Cc1ccccc1C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000171620086 1425760127 /nfs/dbraw/zinc/76/01/27/1425760127.db2.gz FAYGCYGFCCIOOM-UHFFFAOYSA-N -1 3 388.489 3.092 20 10 GGCDHM CCN(CC(=O)Nc1c(F)cccc1F)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000175523435 1427803051 /nfs/dbraw/zinc/80/30/51/1427803051.db2.gz HVQGLIPTWLWNNU-UHFFFAOYSA-N -1 3 380.366 3.473 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)c1[O-] ZINC000175577103 1427820300 /nfs/dbraw/zinc/82/03/00/1427820300.db2.gz WMJWBIASBZUOQQ-UHFFFAOYSA-N -1 3 388.414 3.221 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c1[O-] ZINC000175586251 1427823213 /nfs/dbraw/zinc/82/32/13/1427823213.db2.gz BRQXWNSMTVXTKW-UHFFFAOYSA-N -1 3 388.414 3.139 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)CCCc3ccccc3)CC2)c1[O-] ZINC000175614554 1427832850 /nfs/dbraw/zinc/83/28/50/1427832850.db2.gz GWBNZQIKZIKVKB-UHFFFAOYSA-N -1 3 398.478 3.401 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1[O-] ZINC000175628293 1427837203 /nfs/dbraw/zinc/83/72/03/1427837203.db2.gz FYPDFRMLMABWDM-KRWDZBQOSA-N -1 3 389.402 3.269 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1[O-] ZINC000175628320 1427837350 /nfs/dbraw/zinc/83/73/50/1427837350.db2.gz FYPDFRMLMABWDM-QGZVFWFLSA-N -1 3 389.402 3.269 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)Nc3cccc(C)c3)CC2)c1[O-] ZINC000175628940 1427837444 /nfs/dbraw/zinc/83/74/44/1427837444.db2.gz VYZREFRRRMTSDX-UHFFFAOYSA-N -1 3 385.439 3.392 20 10 GGCDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccc(O)c(O)c3)c2)n1 ZINC000180668252 1429965762 /nfs/dbraw/zinc/96/57/62/1429965762.db2.gz KPIRIMVYOKOTRX-VQHVLOKHSA-N -1 3 377.400 3.062 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1[O-] ZINC000183618901 1430756296 /nfs/dbraw/zinc/75/62/96/1430756296.db2.gz QZVLCNKQDOOQDY-UHFFFAOYSA-N -1 3 385.439 3.392 20 10 GGCDHM COc1ccc2ccc([O-])c(CN3CCS(=O)(=O)c4ccccc4C3)c2c1 ZINC000185205618 1431084636 /nfs/dbraw/zinc/08/46/36/1431084636.db2.gz RQLMCPZFJCDHTG-UHFFFAOYSA-N -1 3 383.469 3.344 20 10 GGCDHM CCN1CCN(c2cccc(NC(=O)c3cc(F)c(F)c([O-])c3F)c2)CC1 ZINC000187406920 1431721459 /nfs/dbraw/zinc/72/14/59/1431721459.db2.gz LOJIOWIULQPHGT-UHFFFAOYSA-N -1 3 379.382 3.204 20 10 GGCDHM Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193086993 1432934122 /nfs/dbraw/zinc/93/41/22/1432934122.db2.gz ZVZOQNDBRSIXHS-UHFFFAOYSA-N -1 3 396.468 3.219 20 10 GGCDHM CC1(C)CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCS1(=O)=O ZINC000193382027 1432988321 /nfs/dbraw/zinc/98/83/21/1432988321.db2.gz OYKJFHNSHRQVCC-UHFFFAOYSA-N -1 3 377.506 3.416 20 10 GGCDHM CN1CCO[C@H]([C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])c2ccc(Cl)cc2)C1 ZINC000245670336 1433497562 /nfs/dbraw/zinc/49/75/62/1433497562.db2.gz CPXQQCBQLDTYJR-OALUTQOASA-N -1 3 391.855 3.115 20 10 GGCDHM COc1ccc(NCc2c([O-])cccc2Cl)cc1OCC(=O)NC1CC1 ZINC000266238546 1434312589 /nfs/dbraw/zinc/31/25/89/1434312589.db2.gz WMROERVCAKQTSZ-UHFFFAOYSA-N -1 3 376.840 3.324 20 10 GGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000274312221 1435060519 /nfs/dbraw/zinc/06/05/19/1435060519.db2.gz GFCYNDCSYYAHJY-ZDUSSCGKSA-N -1 3 381.425 3.056 20 10 GGCDHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cc(C)c(O)c(C)c3C)cc2)CC1 ZINC000274759652 1435090256 /nfs/dbraw/zinc/09/02/56/1435090256.db2.gz GQFIGMBVRDERCG-UHFFFAOYSA-N -1 3 389.473 3.323 20 10 GGCDHM COCCN1C(=O)CCc2cc(N[C@H](C)c3cc(C(=O)OC)ccc3[O-])ccc21 ZINC000275143711 1435119006 /nfs/dbraw/zinc/11/90/06/1435119006.db2.gz SKMZWWRSYSVFEG-CQSZACIVSA-N -1 3 398.459 3.278 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1 ZINC000275685206 1435159556 /nfs/dbraw/zinc/15/95/56/1435159556.db2.gz IQJACAPFIIGWON-HNNXBMFYSA-N -1 3 397.475 3.020 20 10 GGCDHM COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1ccc([N+](=O)[O-])c(OC)c1[O-])N2 ZINC000277900915 1435340812 /nfs/dbraw/zinc/34/08/12/1435340812.db2.gz CVZUWIXJYPDJJJ-SFHVURJKSA-N -1 3 385.376 3.047 20 10 GGCDHM COc1c([O-])c(CN2CCC(O)(c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000278434161 1435390527 /nfs/dbraw/zinc/39/05/27/1435390527.db2.gz ULBLIXFOTJPWCO-UHFFFAOYSA-N -1 3 392.839 3.446 20 10 GGCDHM CCNC(=O)N1CCc2ccc(NCc3ccc([N+](=O)[O-])c(OC)c3[O-])cc21 ZINC000278521313 1435396954 /nfs/dbraw/zinc/39/69/54/1435396954.db2.gz SCXFVWDJPYYORD-UHFFFAOYSA-N -1 3 386.408 3.013 20 10 GGCDHM COc1c([O-])c(CNCc2nn(-c3ccccc3)c3c2CCC3)ccc1[N+](=O)[O-] ZINC000278939785 1435442575 /nfs/dbraw/zinc/44/25/75/1435442575.db2.gz XMQPSUJQRWIKGF-UHFFFAOYSA-N -1 3 394.431 3.273 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c1 ZINC000281495406 1435811136 /nfs/dbraw/zinc/81/11/36/1435811136.db2.gz GNCOVDVDSMNTPU-VLIAUNLRSA-N -1 3 398.459 3.270 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c1 ZINC000281495375 1435811210 /nfs/dbraw/zinc/81/12/10/1435811210.db2.gz GNCOVDVDSMNTPU-JLTOFOAXSA-N -1 3 398.459 3.270 20 10 GGCDHM O=[N+]([O-])c1cc(CNCc2cccc(-c3nn[n-]n3)c2)ccc1N1CCCCC1 ZINC000738358244 1443397720 /nfs/dbraw/zinc/39/77/20/1443397720.db2.gz CRURZWZFUIKVJE-UHFFFAOYSA-N -1 3 393.451 3.055 20 10 GGCDHM O=[N+]([O-])c1cc(CNCc2cccc(-c3nnn[n-]3)c2)ccc1N1CCCCC1 ZINC000738358244 1443397721 /nfs/dbraw/zinc/39/77/21/1443397721.db2.gz CRURZWZFUIKVJE-UHFFFAOYSA-N -1 3 393.451 3.055 20 10 GGCDHM Cc1cc(Br)cc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c1[O-] ZINC000826256497 1446532201 /nfs/dbraw/zinc/53/22/01/1446532201.db2.gz MFYVHTMALWYONK-UHFFFAOYSA-N -1 3 388.269 3.275 20 10 GGCDHM Cc1cc(Br)cc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c1[O-] ZINC000826256497 1446532204 /nfs/dbraw/zinc/53/22/04/1446532204.db2.gz MFYVHTMALWYONK-UHFFFAOYSA-N -1 3 388.269 3.275 20 10 GGCDHM O=C([O-])/C=C/c1ccc(N2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000013272667 957006865 /nfs/dbraw/zinc/00/68/65/957006865.db2.gz AGPLOZLIUWCAPY-CSKARUKUSA-N -1 3 381.432 3.405 20 10 GGCDHM Cc1ccc(C[N@@H+]2CCC[C@@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001594360150 958439882 /nfs/dbraw/zinc/43/98/82/958439882.db2.gz KRVIOGDTWVOQKV-MRXNPFEDSA-N -1 3 392.496 3.234 20 10 GGCDHM Cc1ccc(C[N@H+]2CCC[C@@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001594360150 958439892 /nfs/dbraw/zinc/43/98/92/958439892.db2.gz KRVIOGDTWVOQKV-MRXNPFEDSA-N -1 3 392.496 3.234 20 10 GGCDHM Cc1ccc(C[N@@H+]2CCC[C@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001594360149 958440234 /nfs/dbraw/zinc/44/02/34/958440234.db2.gz KRVIOGDTWVOQKV-INIZCTEOSA-N -1 3 392.496 3.234 20 10 GGCDHM Cc1ccc(C[N@H+]2CCC[C@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001594360149 958440241 /nfs/dbraw/zinc/44/02/41/958440241.db2.gz KRVIOGDTWVOQKV-INIZCTEOSA-N -1 3 392.496 3.234 20 10 GGCDHM CCN(Cc1ccccc1)c1ccc(CN[C@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000819162409 978924538 /nfs/dbraw/zinc/92/45/38/978924538.db2.gz ASDCPPIJBPJWSL-NRFANRHFSA-N -1 3 378.476 3.362 20 10 GGCDHM CC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001595278241 980309741 /nfs/dbraw/zinc/30/97/41/980309741.db2.gz CAULUIWTKHEJNW-QGCDCVKKSA-N -1 3 398.503 3.421 20 10 GGCDHM O=C([O-])CCN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000901680788 980444403 /nfs/dbraw/zinc/44/44/03/980444403.db2.gz GHCPWSSEDGIBCS-KRWDZBQOSA-N -1 3 391.468 3.041 20 10 GGCDHM CCN1CCN(c2cccc(NC(=O)c3ccccc3CCC(=O)[O-])c2)CC1 ZINC000911552079 982493226 /nfs/dbraw/zinc/49/32/26/982493226.db2.gz AWLXZVWHUFKGGV-UHFFFAOYSA-N -1 3 381.476 3.098 20 10 GGCDHM CCN1CCN(c2cccc(NC(=O)c3cc(C(=O)[O-])ccc3Cl)c2)CC1 ZINC000911553335 982495598 /nfs/dbraw/zinc/49/55/98/982495598.db2.gz VNQCSJWPWSKSNH-UHFFFAOYSA-N -1 3 387.867 3.432 20 10 GGCDHM Cc1[nH]c(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C(=O)[O-] ZINC001599962709 985821668 /nfs/dbraw/zinc/82/16/68/985821668.db2.gz CPFCXAWXJOWXRM-STQMWFEESA-N -1 3 375.444 3.064 20 10 GGCDHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Br)c(O)c1 ZINC001597101532 986718424 /nfs/dbraw/zinc/71/84/24/986718424.db2.gz XOJVRSVMPZRLOH-MRXNPFEDSA-N -1 3 380.238 3.469 20 10 GGCDHM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001597458810 987882189 /nfs/dbraw/zinc/88/21/89/987882189.db2.gz VHDPOAHSBKGTLH-FQEVSTJZSA-N -1 3 398.507 3.438 20 10 GGCDHM CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)N(C)C)cc1 ZINC001598313358 991288557 /nfs/dbraw/zinc/28/85/57/991288557.db2.gz JZSNVWWJJVHIHR-GOSISDBHSA-N -1 3 388.443 3.014 20 10 GGCDHM CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)N(C)C)cc1 ZINC001598313360 991288837 /nfs/dbraw/zinc/28/88/37/991288837.db2.gz JZSNVWWJJVHIHR-SFHVURJKSA-N -1 3 388.443 3.014 20 10 GGCDHM C[C@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593217600 994274705 /nfs/dbraw/zinc/27/47/05/994274705.db2.gz ARIFZPQEDZWOHC-INIZCTEOSA-N -1 3 396.487 3.365 20 10 GGCDHM C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593218371 994285103 /nfs/dbraw/zinc/28/51/03/994285103.db2.gz HWEDESWVHQLALD-XEZPLFJOSA-N -1 3 378.469 3.387 20 10 GGCDHM C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245684 994438161 /nfs/dbraw/zinc/43/81/61/994438161.db2.gz AMBYDZPRHMIZDY-BXUZGUMPSA-N -1 3 399.365 3.200 20 10 GGCDHM C[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245685 994438413 /nfs/dbraw/zinc/43/84/13/994438413.db2.gz AMBYDZPRHMIZDY-FZMZJTMJSA-N -1 3 399.365 3.200 20 10 GGCDHM C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246427 994451748 /nfs/dbraw/zinc/45/17/48/994451748.db2.gz LGNMTOASAOFHHX-MGPLVRAMSA-N -1 3 380.238 3.237 20 10 GGCDHM C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246426 994451848 /nfs/dbraw/zinc/45/18/48/994451848.db2.gz LGNMTOASAOFHHX-HWPZZCPQSA-N -1 3 380.238 3.237 20 10 GGCDHM C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257438 994528116 /nfs/dbraw/zinc/52/81/16/994528116.db2.gz NQLWSZLBJCLDEQ-ZIAGYGMSSA-N -1 3 378.469 3.388 20 10 GGCDHM C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257435 994528888 /nfs/dbraw/zinc/52/88/88/994528888.db2.gz NQLWSZLBJCLDEQ-KBPBESRZSA-N -1 3 378.469 3.388 20 10 GGCDHM C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593269102 994598218 /nfs/dbraw/zinc/59/82/18/994598218.db2.gz ZCPRVKHHFKHWSV-GFCCVEGCSA-N -1 3 397.880 3.258 20 10 GGCDHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)c(O)c(C(C)(C)C)c1 ZINC001599414708 997485396 /nfs/dbraw/zinc/48/53/96/997485396.db2.gz NLFXKSIELUTGQU-SFHVURJKSA-N -1 3 389.448 3.328 20 10 GGCDHM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001594179787 998696805 /nfs/dbraw/zinc/69/68/05/998696805.db2.gz QGYMWIHDKGQCGM-BODMPHMZSA-N -1 3 380.916 3.489 20 10 GGCDHM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001594179790 998697061 /nfs/dbraw/zinc/69/70/61/998697061.db2.gz QGYMWIHDKGQCGM-NONVJHHQSA-N -1 3 380.916 3.489 20 10 GGCDHM COc1cc(Br)cc(CN2CCC(c3nc(C)no3)CC2)c1[O-] ZINC000091834086 564872774 /nfs/dbraw/zinc/87/27/74/564872774.db2.gz AJNGLMHGDCPZKR-UHFFFAOYSA-N -1 3 382.258 3.234 20 10 GGCDHM [O-]c1ccc(Br)cc1CN1CCCN(Cc2cscn2)CC1 ZINC000093015732 564883195 /nfs/dbraw/zinc/88/31/95/564883195.db2.gz OHPKKPVJWJTNGE-UHFFFAOYSA-N -1 3 382.327 3.319 20 10 GGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093133792 564883992 /nfs/dbraw/zinc/88/39/92/564883992.db2.gz RXQZUHKVURSGER-GFCCVEGCSA-N -1 3 377.286 3.072 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCCn1ccnc1C ZINC000266702128 565089028 /nfs/dbraw/zinc/08/90/28/565089028.db2.gz GVSOILRGBZQJFN-UHFFFAOYSA-N -1 3 395.301 3.281 20 10 GGCDHM Cn1cc(Br)c(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000292990723 565144575 /nfs/dbraw/zinc/14/45/75/565144575.db2.gz RWUVKLUJMDWONG-CQSZACIVSA-N -1 3 380.286 3.069 20 10 GGCDHM Cc1nc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cs1 ZINC000158064744 565153966 /nfs/dbraw/zinc/15/39/66/565153966.db2.gz UZOIXLPRRLIRPP-HNNXBMFYSA-N -1 3 379.913 3.134 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCc1ccncc1 ZINC000268662756 565162196 /nfs/dbraw/zinc/16/21/96/565162196.db2.gz SLMSVZRMSBVSJW-UHFFFAOYSA-N -1 3 378.270 3.324 20 10 GGCDHM CC(C)NC(=O)CN[C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000184896004 565163919 /nfs/dbraw/zinc/16/39/19/565163919.db2.gz GJZKPCDGJJXRAJ-QMMMGPOBSA-N -1 3 394.107 3.092 20 10 GGCDHM C[C@H](NCc1cccnc1N1CCOCC1)c1ccc(Br)cc1[O-] ZINC000184986537 565168853 /nfs/dbraw/zinc/16/88/53/565168853.db2.gz YJEFKWZHMDLXJI-ZDUSSCGKSA-N -1 3 392.297 3.237 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000269023254 565174871 /nfs/dbraw/zinc/17/48/71/565174871.db2.gz JDMQXZWKGGGAOC-CQSZACIVSA-N -1 3 393.285 3.487 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)c1nc(N)nc(Cl)n1 ZINC000294875158 565233297 /nfs/dbraw/zinc/23/32/97/565233297.db2.gz FBTPQGDWZWLKFR-MRVPVSSYSA-N -1 3 386.681 3.158 20 10 GGCDHM C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186082574 565238010 /nfs/dbraw/zinc/23/80/10/565238010.db2.gz OARXYDFCKJUCDY-MFKMUULPSA-N -1 3 383.279 3.279 20 10 GGCDHM COCCOc1ncccc1CN[C@H](C)c1ccc(Br)cc1[O-] ZINC000273305035 565316339 /nfs/dbraw/zinc/31/63/39/565316339.db2.gz CNYFSMYHIKLCQM-GFCCVEGCSA-N -1 3 381.270 3.426 20 10 GGCDHM CCNC(=O)[C@H](C)N[C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000273444090 565320883 /nfs/dbraw/zinc/32/08/83/565320883.db2.gz ZKFZAIGJZYKXEO-SFYZADRCSA-N -1 3 394.107 3.092 20 10 GGCDHM O=S1(=O)CCCN1c1ccc(CNCc2cccc(Cl)c2[O-])cc1F ZINC000187606142 565345780 /nfs/dbraw/zinc/34/57/80/565345780.db2.gz GLLGKFMSVKUGCS-UHFFFAOYSA-N -1 3 384.860 3.014 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000188520625 565406595 /nfs/dbraw/zinc/40/65/95/565406595.db2.gz JWXVRDCFULOANZ-SWLSCSKDSA-N -1 3 385.302 3.237 20 10 GGCDHM C[C@@H](N[C@@H](C)C(=O)N(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000189013139 565437749 /nfs/dbraw/zinc/43/77/49/565437749.db2.gz ZDWBHTNEXVNXDK-SFYZADRCSA-N -1 3 394.107 3.045 20 10 GGCDHM C[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000277169635 565479754 /nfs/dbraw/zinc/47/97/54/565479754.db2.gz RTVDGPCLSSWKIR-JTQLQIEISA-N -1 3 384.841 3.208 20 10 GGCDHM COc1cc(Br)cc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1[O-] ZINC000377626173 565490031 /nfs/dbraw/zinc/49/00/31/565490031.db2.gz LSLULNGTMUSLPL-CQSZACIVSA-N -1 3 398.219 3.443 20 10 GGCDHM Cc1cnc([C@@H](C)CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000277746497 565517233 /nfs/dbraw/zinc/51/72/33/565517233.db2.gz UZMJQKBAKIEOCK-JTQLQIEISA-N -1 3 379.869 3.378 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1ccc(OC)cn1 ZINC000278395482 565555669 /nfs/dbraw/zinc/55/56/69/565555669.db2.gz NHBSJCIXKFFOKI-UHFFFAOYSA-N -1 3 394.269 3.290 20 10 GGCDHM COc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1Br ZINC000278629582 565569801 /nfs/dbraw/zinc/56/98/01/565569801.db2.gz GSUJXJQOLQCEDK-UHFFFAOYSA-N -1 3 397.225 3.370 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ccnn1CC(F)F ZINC000279609111 565622059 /nfs/dbraw/zinc/62/20/59/565622059.db2.gz YXZPJPGTBOMFEJ-UHFFFAOYSA-N -1 3 388.212 3.279 20 10 GGCDHM COC(=O)C[C@@](C)(NCc1cc(Br)ccc1[O-])c1ccncc1 ZINC000191902441 565641130 /nfs/dbraw/zinc/64/11/30/565641130.db2.gz OHKXSAHTSXWKTQ-QGZVFWFLSA-N -1 3 379.254 3.118 20 10 GGCDHM COC(=O)C[C@](C)(NCc1cc(Br)ccc1[O-])c1ccncc1 ZINC000191902449 565641763 /nfs/dbraw/zinc/64/17/63/565641763.db2.gz OHKXSAHTSXWKTQ-KRWDZBQOSA-N -1 3 379.254 3.118 20 10 GGCDHM CC[C@H](CO)NC(=O)c1ccc(NCc2cc(Br)ccc2[O-])cc1 ZINC000280580038 565682523 /nfs/dbraw/zinc/68/25/23/565682523.db2.gz AAYGTYZZBIDUEJ-OAHLLOKOSA-N -1 3 393.281 3.268 20 10 GGCDHM CC[C@@H](CO)NC(=O)c1ccc(NCc2cc(Br)ccc2[O-])cc1 ZINC000280580036 565682678 /nfs/dbraw/zinc/68/26/78/565682678.db2.gz AAYGTYZZBIDUEJ-HNNXBMFYSA-N -1 3 393.281 3.268 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnc([C@H](C)O)s1 ZINC000283598971 565823663 /nfs/dbraw/zinc/82/36/63/565823663.db2.gz YEXDACJDXAGTAJ-VIFPVBQESA-N -1 3 385.283 3.327 20 10 GGCDHM Cc1cc(CNCc2cc(Br)cc(Br)c2[O-])n(C)n1 ZINC000284494239 565856496 /nfs/dbraw/zinc/85/64/96/565856496.db2.gz XDZQWQRVEYVZCG-UHFFFAOYSA-N -1 3 389.091 3.249 20 10 GGCDHM C[C@@H](O)[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180865236 566094558 /nfs/dbraw/zinc/09/45/58/566094558.db2.gz XNUPCBHEOQDSFG-RKDXNWHRSA-N -1 3 379.092 3.120 20 10 GGCDHM CCN(CC)S(=O)(=O)c1ccc(CNCc2cccc(Cl)c2[O-])cc1 ZINC000181811911 566165999 /nfs/dbraw/zinc/16/59/99/566165999.db2.gz WDOVQBFZGSYPSY-UHFFFAOYSA-N -1 3 382.913 3.366 20 10 GGCDHM CC(C)NS(=O)(=O)Cc1ccccc1CNCc1cccc(Cl)c1[O-] ZINC000182193893 566189738 /nfs/dbraw/zinc/18/97/38/566189738.db2.gz TVZPNBHONYVUFD-UHFFFAOYSA-N -1 3 382.913 3.163 20 10 GGCDHM O=C([N-]C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1)C(F)(F)F ZINC000291451401 566220818 /nfs/dbraw/zinc/22/08/18/566220818.db2.gz CNEIGMOLJHCARQ-SNVBAGLBSA-N -1 3 395.219 3.045 20 10 GGCDHM O=C([N-]C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1)C(F)(F)F ZINC000291451401 566220826 /nfs/dbraw/zinc/22/08/26/566220826.db2.gz CNEIGMOLJHCARQ-SNVBAGLBSA-N -1 3 395.219 3.045 20 10 GGCDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1c1cccs1 ZINC000291814019 566235868 /nfs/dbraw/zinc/23/58/68/566235868.db2.gz YNSBUSFDOAYADE-OAHLLOKOSA-N -1 3 380.491 3.049 20 10 GGCDHM COCCn1c(C)c(C)c2cc(C(=O)N=c3[nH][n-]cc3Br)ccc21 ZINC000552287347 567572813 /nfs/dbraw/zinc/57/28/13/567572813.db2.gz PAWCFUQHEGNLRX-UHFFFAOYSA-N -1 3 391.269 3.064 20 10 GGCDHM COc1ccc(O)c([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737106614 599055146 /nfs/dbraw/zinc/05/51/46/599055146.db2.gz WBMJPWSNNLFNJD-MRVPVSSYSA-N -1 3 380.330 3.168 20 10 GGCDHM COc1ccc(O)c([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737106614 599055149 /nfs/dbraw/zinc/05/51/49/599055149.db2.gz WBMJPWSNNLFNJD-MRVPVSSYSA-N -1 3 380.330 3.168 20 10 GGCDHM CCN(CC)c1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821197219 607286259 /nfs/dbraw/zinc/28/62/59/607286259.db2.gz HRNJLSXIXFTGNX-UHFFFAOYSA-N -1 3 379.468 3.343 20 10 GGCDHM CCN(CC)c1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821197219 607286260 /nfs/dbraw/zinc/28/62/60/607286260.db2.gz HRNJLSXIXFTGNX-UHFFFAOYSA-N -1 3 379.468 3.343 20 10 GGCDHM C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820364416 599263184 /nfs/dbraw/zinc/26/31/84/599263184.db2.gz AKAVRUMZWWPXKG-CYBMUJFWSA-N -1 3 392.463 3.012 20 10 GGCDHM C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820364416 599263185 /nfs/dbraw/zinc/26/31/85/599263185.db2.gz AKAVRUMZWWPXKG-CYBMUJFWSA-N -1 3 392.463 3.012 20 10 GGCDHM Cc1cc(C(=O)Nc2cc(C(C)C)[nH]n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236637 598618904 /nfs/dbraw/zinc/61/89/04/598618904.db2.gz PKOUTSYAOPLBQJ-UHFFFAOYSA-N -1 3 390.451 3.373 20 10 GGCDHM OCC1CCN(c2ccc(CNc3c(Cl)cccc3-c3nnn[n-]3)cc2)CC1 ZINC000738394370 598635643 /nfs/dbraw/zinc/63/56/43/598635643.db2.gz QXBYUZLGCICSDC-UHFFFAOYSA-N -1 3 398.898 3.341 20 10 GGCDHM OCC1CCN(c2ccc(CNc3c(Cl)cccc3-c3nn[n-]n3)cc2)CC1 ZINC000738394370 598635645 /nfs/dbraw/zinc/63/56/45/598635645.db2.gz QXBYUZLGCICSDC-UHFFFAOYSA-N -1 3 398.898 3.341 20 10 GGCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737105267 598769392 /nfs/dbraw/zinc/76/93/92/598769392.db2.gz GBKVFXPZTACGTE-LLVKDONJSA-N -1 3 399.455 3.020 20 10 GGCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737105267 598769394 /nfs/dbraw/zinc/76/93/94/598769394.db2.gz GBKVFXPZTACGTE-LLVKDONJSA-N -1 3 399.455 3.020 20 10 GGCDHM CCCC[C@H](COC)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736439599 599390346 /nfs/dbraw/zinc/39/03/46/599390346.db2.gz XEYFBHISCHKJPS-QGZVFWFLSA-N -1 3 396.495 3.209 20 10 GGCDHM CSCC[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737178102 599391471 /nfs/dbraw/zinc/39/14/71/599391471.db2.gz XDVAZURBOHOCNN-CYBMUJFWSA-N -1 3 398.536 3.488 20 10 GGCDHM Cc1cc(C(=O)CN2CC[C@H](N3CCCC3)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738320316 600028383 /nfs/dbraw/zinc/02/83/83/600028383.db2.gz RJRQLOMRNDTBCH-FQEVSTJZSA-N -1 3 395.503 3.145 20 10 GGCDHM Cc1cc(C(=O)CN2CC[C@@H](N3CCCC3)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738320318 600028548 /nfs/dbraw/zinc/02/85/48/600028548.db2.gz RJRQLOMRNDTBCH-HXUWFJFHSA-N -1 3 395.503 3.145 20 10 GGCDHM Cc1cc(C(=O)CN2CCCN(C(C)C)CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859849 601594105 /nfs/dbraw/zinc/59/41/05/601594105.db2.gz STSRZRRKUPKCHI-UHFFFAOYSA-N -1 3 397.519 3.391 20 10 GGCDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCCSc1nccs1 ZINC000826305047 607520406 /nfs/dbraw/zinc/52/04/06/607520406.db2.gz IPIREKIRRKFQHA-UHFFFAOYSA-N -1 3 383.506 3.196 20 10 GGCDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCCSc1nccs1 ZINC000826305047 607520407 /nfs/dbraw/zinc/52/04/07/607520407.db2.gz IPIREKIRRKFQHA-UHFFFAOYSA-N -1 3 383.506 3.196 20 10 GGCDHM Cn1c(-c2ccccc2)cnc1SCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826354672 607657226 /nfs/dbraw/zinc/65/72/26/607657226.db2.gz PKJGYLUWHWVLNN-UHFFFAOYSA-N -1 3 376.445 3.242 20 10 GGCDHM Cn1c(-c2ccccc2)cnc1SCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826354672 607657227 /nfs/dbraw/zinc/65/72/27/607657227.db2.gz PKJGYLUWHWVLNN-UHFFFAOYSA-N -1 3 376.445 3.242 20 10 GGCDHM C[C@@H](Oc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000833537574 604519549 /nfs/dbraw/zinc/51/95/49/604519549.db2.gz LSGOSSHBSACMGP-UZLBHIALSA-N -1 3 385.460 3.425 20 10 GGCDHM C[C@@H](Oc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000833537574 604519552 /nfs/dbraw/zinc/51/95/52/604519552.db2.gz LSGOSSHBSACMGP-UZLBHIALSA-N -1 3 385.460 3.425 20 10 GGCDHM COc1cc(Br)cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000831861357 604680682 /nfs/dbraw/zinc/68/06/82/604680682.db2.gz WXOPBPLWKBTIDC-BPNCWPANSA-N -1 3 384.270 3.381 20 10 GGCDHM COc1cc(Br)cc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000831861357 604680686 /nfs/dbraw/zinc/68/06/86/604680686.db2.gz WXOPBPLWKBTIDC-BPNCWPANSA-N -1 3 384.270 3.381 20 10 GGCDHM COc1ccc(O)c([C@H](C)NCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC000833733618 605126897 /nfs/dbraw/zinc/12/68/97/605126897.db2.gz LJTYESUZKGGXOG-JTQLQIEISA-N -1 3 378.450 3.067 20 10 GGCDHM Cc1cc(C(=O)N(C)Cc2nccs2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167718 606036056 /nfs/dbraw/zinc/03/60/56/606036056.db2.gz GOOFZMJZOGMZIW-UHFFFAOYSA-N -1 3 393.476 3.003 20 10 GGCDHM Cc1cc(C(=O)N2CCSC(C)(C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168756 606295841 /nfs/dbraw/zinc/29/58/41/606295841.db2.gz QWAZZFOYBMKGIK-UHFFFAOYSA-N -1 3 396.520 3.242 20 10 GGCDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1C(C1CC1)C1CC1 ZINC000823503493 606337145 /nfs/dbraw/zinc/33/71/45/606337145.db2.gz FSASQQVGODFHGA-WUXMJOGZSA-N -1 3 389.531 3.318 20 10 GGCDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)SC(=S)N1C(C1CC1)C1CC1 ZINC000823503493 606337147 /nfs/dbraw/zinc/33/71/47/606337147.db2.gz FSASQQVGODFHGA-WUXMJOGZSA-N -1 3 389.531 3.318 20 10 GGCDHM O=C(c1sccc1-c1nnn[n-]1)N(Cc1ccco1)Cc1ccccc1O ZINC000823497920 606776580 /nfs/dbraw/zinc/77/65/80/606776580.db2.gz ASPAPSPNWYILGX-UHFFFAOYSA-N -1 3 381.417 3.069 20 10 GGCDHM O=C(c1sccc1-c1nn[n-]n1)N(Cc1ccco1)Cc1ccccc1O ZINC000823497920 606776583 /nfs/dbraw/zinc/77/65/83/606776583.db2.gz ASPAPSPNWYILGX-UHFFFAOYSA-N -1 3 381.417 3.069 20 10 GGCDHM Cc1cc(C(=O)NC[C@]2(C)CCCS2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176868 606954934 /nfs/dbraw/zinc/95/49/34/606954934.db2.gz PRKHUQOOCRMGCK-FQEVSTJZSA-N -1 3 396.520 3.290 20 10 GGCDHM CC(C)(C)c1cnc(SCC(=O)Nc2sccc2-c2nnn[n-]2)s1 ZINC000819965294 607119837 /nfs/dbraw/zinc/11/98/37/607119837.db2.gz AFYCAMUNBZOHJS-UHFFFAOYSA-N -1 3 380.524 3.413 20 10 GGCDHM CC(C)(C)c1cnc(SCC(=O)Nc2sccc2-c2nn[n-]n2)s1 ZINC000819965294 607119839 /nfs/dbraw/zinc/11/98/39/607119839.db2.gz AFYCAMUNBZOHJS-UHFFFAOYSA-N -1 3 380.524 3.413 20 10 GGCDHM CC(C)(C)c1cnc(SCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819965671 607119935 /nfs/dbraw/zinc/11/99/35/607119935.db2.gz MGXSYWVEIVEERE-UHFFFAOYSA-N -1 3 388.522 3.029 20 10 GGCDHM CC(C)(C)c1cnc(SCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819965671 607119937 /nfs/dbraw/zinc/11/99/37/607119937.db2.gz MGXSYWVEIVEERE-UHFFFAOYSA-N -1 3 388.522 3.029 20 10 GGCDHM O=C(NCCCSc1nccs1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823197344 607204709 /nfs/dbraw/zinc/20/47/09/607204709.db2.gz RLWROOVPJYYINV-UHFFFAOYSA-N -1 3 395.901 3.281 20 10 GGCDHM O=C(NCCCSc1nccs1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823197344 607204710 /nfs/dbraw/zinc/20/47/10/607204710.db2.gz RLWROOVPJYYINV-UHFFFAOYSA-N -1 3 395.901 3.281 20 10 GGCDHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(Br)cc(C)c1O ZINC000826186434 609481017 /nfs/dbraw/zinc/48/10/17/609481017.db2.gz SBIOEAMBZOPTGV-UHFFFAOYSA-N -1 3 390.241 3.264 20 10 GGCDHM CN(Cc1cccc2ccccc21)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055217350 1406905560 /nfs/dbraw/zinc/90/55/60/1406905560.db2.gz QMKSXAHPGSOOJC-UHFFFAOYSA-N -1 3 384.457 3.189 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000055639196 1407036425 /nfs/dbraw/zinc/03/64/25/1407036425.db2.gz WQXTXWYBVOITGK-UHFFFAOYSA-N -1 3 382.507 3.372 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000055639062 1407036162 /nfs/dbraw/zinc/03/61/62/1407036162.db2.gz HAFFSQHOWGLLGC-UHFFFAOYSA-N -1 3 388.898 3.211 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000055639033 1407036203 /nfs/dbraw/zinc/03/62/03/1407036203.db2.gz LIHJTWODTNDHRI-UHFFFAOYSA-N -1 3 396.534 3.448 20 10 GGCDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000028257363 1400144036 /nfs/dbraw/zinc/14/40/36/1400144036.db2.gz OQFXLXGVXHJDOF-UHFFFAOYSA-N -1 3 388.898 3.075 20 10 GGCDHM O=S(=O)([N-]Cc1ccc(N2CCSCC2)cc1)c1ccc(Cl)s1 ZINC000056102032 1407203815 /nfs/dbraw/zinc/20/38/15/1407203815.db2.gz XKBMBGHHLACHLQ-UHFFFAOYSA-N -1 3 388.967 3.433 20 10 GGCDHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000060127830 1407940957 /nfs/dbraw/zinc/94/09/57/1407940957.db2.gz KZOOWMHJNBFJSV-CQSZACIVSA-N -1 3 390.505 3.250 20 10 GGCDHM COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3ccc(Cl)s3)C2)cc1 ZINC000062575192 1408279923 /nfs/dbraw/zinc/27/99/23/1408279923.db2.gz YEGXLKKIRAKCAU-GFCCVEGCSA-N -1 3 386.926 3.215 20 10 GGCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000063849074 1408427296 /nfs/dbraw/zinc/42/72/96/1408427296.db2.gz YMSFHXGDJPEZEU-UHFFFAOYSA-N -1 3 382.507 3.256 20 10 GGCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000063849070 1408427404 /nfs/dbraw/zinc/42/74/04/1408427404.db2.gz FXOREJSMLGYBFN-UHFFFAOYSA-N -1 3 388.898 3.293 20 10 GGCDHM CCc1nc(CN2CCN(Cc3cc(Br)ccc3[O-])CC2)cs1 ZINC000092504675 1410162034 /nfs/dbraw/zinc/16/20/34/1410162034.db2.gz DBYIPXCBMAGVSH-UHFFFAOYSA-N -1 3 396.354 3.491 20 10 GGCDHM [O-]c1c(Br)cccc1CN1CCN(Cc2cccc(O)c2)CC1 ZINC000092789591 1410202041 /nfs/dbraw/zinc/20/20/41/1410202041.db2.gz ATUNHZLEGYHZEZ-UHFFFAOYSA-N -1 3 377.282 3.178 20 10 GGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ccccc1NC(C)=O ZINC000093277149 1410228815 /nfs/dbraw/zinc/22/88/15/1410228815.db2.gz LEYHDMZQNMAPHW-UHFFFAOYSA-N -1 3 376.840 3.179 20 10 GGCDHM CCc1nn(C)c(CC)c1CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000093277201 1410228940 /nfs/dbraw/zinc/22/89/40/1410228940.db2.gz HDLPSNGEMMPRMA-UHFFFAOYSA-N -1 3 379.888 3.079 20 10 GGCDHM C[C@@H](c1cccnc1)N1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093413413 1410243789 /nfs/dbraw/zinc/24/37/89/1410243789.db2.gz UPMZVQPCJIWNJJ-AWEZNQCLSA-N -1 3 376.298 3.429 20 10 GGCDHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094158775 1410308535 /nfs/dbraw/zinc/30/85/35/1410308535.db2.gz SAKHCPQOOWXRTR-GFCCVEGCSA-N -1 3 396.896 3.120 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC000094158947 1410308761 /nfs/dbraw/zinc/30/87/61/1410308761.db2.gz PEHXHYWYSFRGPW-OAHLLOKOSA-N -1 3 378.450 3.114 20 10 GGCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000105591406 1411088315 /nfs/dbraw/zinc/08/83/15/1411088315.db2.gz HIEJGSGVDCTAQL-UHFFFAOYSA-N -1 3 386.470 3.087 20 10 GGCDHM O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(O)cc1[O-] ZINC000108175254 1411448291 /nfs/dbraw/zinc/44/82/91/1411448291.db2.gz DIOBWAJZGQLGIA-UHFFFAOYSA-N -1 3 378.375 3.098 20 10 GGCDHM COC(=O)CN(Cc1cccc(NC(C)=O)c1)Cc1cc(Cl)ccc1[O-] ZINC000109779571 1411809609 /nfs/dbraw/zinc/80/96/09/1411809609.db2.gz CXWZQUZDBQBSTB-UHFFFAOYSA-N -1 3 376.840 3.179 20 10 GGCDHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1[O-] ZINC000177276856 1428667321 /nfs/dbraw/zinc/66/73/21/1428667321.db2.gz RZVUYXHOTJCIFP-NSHDSACASA-N -1 3 396.896 3.089 20 10 GGCDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCSc2nccs2)c(Cl)c1 ZINC000117365228 1413031842 /nfs/dbraw/zinc/03/18/42/1413031842.db2.gz HVBYOPIMPMEDAH-UHFFFAOYSA-N -1 3 393.899 3.165 20 10 GGCDHM COC(=O)Cc1nnc(NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)[n-]1 ZINC000118662013 1413202660 /nfs/dbraw/zinc/20/26/60/1413202660.db2.gz HLXVLIBGVGOWTO-UHFFFAOYSA-N -1 3 395.463 3.303 20 10 GGCDHM COC(=O)Cc1nc(NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)n[n-]1 ZINC000118662013 1413202666 /nfs/dbraw/zinc/20/26/66/1413202666.db2.gz HLXVLIBGVGOWTO-UHFFFAOYSA-N -1 3 395.463 3.303 20 10 GGCDHM O=C(CN1CCN(Cc2c([O-])cccc2Cl)CC1)Nc1ccccc1Cl ZINC000119561771 1413486441 /nfs/dbraw/zinc/48/64/41/1413486441.db2.gz SZPAQGFTNZTLAW-UHFFFAOYSA-N -1 3 394.302 3.455 20 10 GGCDHM CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1c([O-])cccc1Cl ZINC000120289234 1413769662 /nfs/dbraw/zinc/76/96/62/1413769662.db2.gz UHDOQCPTESRZKQ-UHFFFAOYSA-N -1 3 383.897 3.350 20 10 GGCDHM CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000120396712 1413809271 /nfs/dbraw/zinc/80/92/71/1413809271.db2.gz COSXOPBDPMSOAY-UHFFFAOYSA-N -1 3 386.470 3.168 20 10 GGCDHM CCc1ncsc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000124187941 1414903996 /nfs/dbraw/zinc/90/39/96/1414903996.db2.gz VLEDSVKPIGIXRK-CQSZACIVSA-N -1 3 379.913 3.459 20 10 GGCDHM COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000124307243 1414934867 /nfs/dbraw/zinc/93/48/67/1414934867.db2.gz YFUZGEPSJJXGAV-QGZVFWFLSA-N -1 3 399.340 3.497 20 10 GGCDHM Cc1nn(C)c(Cl)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000130147392 1416327188 /nfs/dbraw/zinc/32/71/88/1416327188.db2.gz BRGKTBSAZBOZQE-AWEZNQCLSA-N -1 3 397.306 3.135 20 10 GGCDHM CN(CC(=O)Nc1ccc(Br)cn1)Cc1c([O-])cccc1Cl ZINC000130808969 1416455811 /nfs/dbraw/zinc/45/58/11/1416455811.db2.gz JYIQHCBUYXGQPB-UHFFFAOYSA-N -1 3 384.661 3.274 20 10 GGCDHM O=C(CSC(F)(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134259837 1417045727 /nfs/dbraw/zinc/04/57/27/1417045727.db2.gz WRAAXEGCKHZDOS-GFCCVEGCSA-N -1 3 382.835 3.379 20 10 GGCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc([N+](=O)[O-])s1 ZINC000134264254 1417046271 /nfs/dbraw/zinc/04/62/71/1417046271.db2.gz SRKFUURWPDRLAC-ZDUSSCGKSA-N -1 3 395.868 3.410 20 10 GGCDHM CC(C)c1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1C ZINC000134267091 1417047138 /nfs/dbraw/zinc/04/71/38/1417047138.db2.gz ZUBNJYFARWDQKU-INIZCTEOSA-N -1 3 390.915 3.297 20 10 GGCDHM CN(Cc1cc(Cl)ccc1[O-])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000136964206 1417358419 /nfs/dbraw/zinc/35/84/19/1417358419.db2.gz BBQLRTCIIODIRE-OAHLLOKOSA-N -1 3 383.673 3.467 20 10 GGCDHM CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000150865729 1417823852 /nfs/dbraw/zinc/82/38/52/1417823852.db2.gz YRCZYFBSODNNMI-UHFFFAOYSA-N -1 3 382.507 3.338 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000179387153 1429354035 /nfs/dbraw/zinc/35/40/35/1429354035.db2.gz YIUHZBNBSQVIID-MRXNPFEDSA-N -1 3 394.880 3.394 20 10 GGCDHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000179623932 1429476084 /nfs/dbraw/zinc/47/60/84/1429476084.db2.gz UUAZYMVXMPBEFZ-KRWDZBQOSA-N -1 3 390.505 3.165 20 10 GGCDHM CN(C)c1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000153769653 1422747011 /nfs/dbraw/zinc/74/70/11/1422747011.db2.gz DYNDPKMLMNYOPV-UHFFFAOYSA-N -1 3 378.270 3.220 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C(=O)OC)c1cccnc1 ZINC000154169668 1422849929 /nfs/dbraw/zinc/84/99/29/1422849929.db2.gz FNUDPNBBCWZZJE-INIZCTEOSA-N -1 3 379.254 3.286 20 10 GGCDHM CC(=O)c1cc(F)cc(CN(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1[O-] ZINC000155638205 1423462037 /nfs/dbraw/zinc/46/20/37/1423462037.db2.gz CVSXANCKUUWHGY-INIZCTEOSA-N -1 3 397.855 3.348 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000157081107 1423921012 /nfs/dbraw/zinc/92/10/12/1423921012.db2.gz ZSQZOFQKRAECDG-MRXNPFEDSA-N -1 3 381.245 3.342 20 10 GGCDHM O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000160331273 1424596247 /nfs/dbraw/zinc/59/62/47/1424596247.db2.gz AMHBGRDWQNPIAW-UHFFFAOYSA-N -1 3 383.879 3.414 20 10 GGCDHM CCN(CC)c1ccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1F ZINC000163152101 1424949634 /nfs/dbraw/zinc/94/96/34/1424949634.db2.gz KUBPMMXARWYJLO-UHFFFAOYSA-N -1 3 376.428 3.325 20 10 GGCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cc2ccccc2s1 ZINC000170968946 1425420527 /nfs/dbraw/zinc/42/05/27/1425420527.db2.gz XDWOFAFWZDXWLE-LLVKDONJSA-N -1 3 390.486 3.469 20 10 GGCDHM COC(=O)CN(Cc1nnc(-c2ccccc2)o1)Cc1cc(Cl)ccc1[O-] ZINC000171927420 1425854501 /nfs/dbraw/zinc/85/45/01/1425854501.db2.gz XTEXFPXNQVHZOQ-UHFFFAOYSA-N -1 3 387.823 3.271 20 10 GGCDHM CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000172592266 1426103288 /nfs/dbraw/zinc/10/32/88/1426103288.db2.gz XSEUDUKQFQCAHD-UHFFFAOYSA-N -1 3 382.507 3.338 20 10 GGCDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC[C@@H]1c1ccccc1 ZINC000174231972 1427061879 /nfs/dbraw/zinc/06/18/79/1427061879.db2.gz MFDXMQKPBOIMMP-PBHICJAKSA-N -1 3 388.489 3.030 20 10 GGCDHM CCN(Cc1nnnn1-c1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000174422731 1427150825 /nfs/dbraw/zinc/15/08/25/1427150825.db2.gz BDPIZFWFXSHLHV-UHFFFAOYSA-N -1 3 388.269 3.153 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC3(C2)CCCCCC3)c1 ZINC000174731773 1427336713 /nfs/dbraw/zinc/33/67/13/1427336713.db2.gz MCWULSSPUSPQBN-UHFFFAOYSA-N -1 3 380.510 3.340 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCC(NC(=O)c3ccsc3)CC2)c1[O-] ZINC000175597072 1427826774 /nfs/dbraw/zinc/82/67/74/1427826774.db2.gz KGBVEFFMJAEBQA-UHFFFAOYSA-N -1 3 376.453 3.190 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCCN(C(=O)Oc3ccccc3)CC2)c1[O-] ZINC000175627639 1427837410 /nfs/dbraw/zinc/83/74/10/1427837410.db2.gz QTWKNFCYERWUBR-UHFFFAOYSA-N -1 3 386.423 3.441 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ncnc4ccsc43)CC2)c1[O-] ZINC000175733194 1427873001 /nfs/dbraw/zinc/87/30/01/1427873001.db2.gz RBLGDPRIRVAPJX-UHFFFAOYSA-N -1 3 386.452 3.061 20 10 GGCDHM CC(=O)c1cc(F)cc(CN[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000175812701 1427904679 /nfs/dbraw/zinc/90/46/79/1427904679.db2.gz MGPXIKHFKOEDNW-SFHVURJKSA-N -1 3 398.356 3.243 20 10 GGCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000180711070 1429992751 /nfs/dbraw/zinc/99/27/51/1429992751.db2.gz MYNHVKHGPOIZEC-MJGOQNOKSA-N -1 3 392.293 3.479 20 10 GGCDHM Cc1cccc(C2=CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC2)c1 ZINC000181262462 1430258363 /nfs/dbraw/zinc/25/83/63/1430258363.db2.gz NPCDSZFOZWEAQK-UHFFFAOYSA-N -1 3 386.473 3.002 20 10 GGCDHM O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1cccc(O)c1[O-] ZINC000185857692 1431253468 /nfs/dbraw/zinc/25/34/68/1431253468.db2.gz PQFBIMKYISCNID-UHFFFAOYSA-N -1 3 380.375 3.419 20 10 GGCDHM CC[C@@H](C(=O)N1CCC(NC(=O)c2cccc(O)c2[O-])CC1)c1ccccc1 ZINC000187053959 1431600279 /nfs/dbraw/zinc/60/02/79/1431600279.db2.gz ZBQIWTRXMFQPCX-QGZVFWFLSA-N -1 3 382.460 3.012 20 10 GGCDHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C)c(O)c(C)c3C)cc2C[C@@H]1C ZINC000187062199 1431602842 /nfs/dbraw/zinc/60/28/42/1431602842.db2.gz GMAUXXLCYUDPKW-LBPRGKRZSA-N -1 3 388.489 3.416 20 10 GGCDHM CC[C@@H](CN(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000187412630 1431722911 /nfs/dbraw/zinc/72/29/11/1431722911.db2.gz SLHARBNYTULELX-HNNXBMFYSA-N -1 3 390.505 3.420 20 10 GGCDHM CC(C)c1cccc2c1CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2 ZINC000188113685 1431848091 /nfs/dbraw/zinc/84/80/91/1431848091.db2.gz CJPJAZTWJPVITE-UHFFFAOYSA-N -1 3 388.489 3.086 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000193000139 1432919904 /nfs/dbraw/zinc/91/99/04/1432919904.db2.gz BRXKOQFXHGHKNZ-ZDUSSCGKSA-N -1 3 383.379 3.307 20 10 GGCDHM O=C(c1ccccn1)N1CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000193379097 1432987972 /nfs/dbraw/zinc/98/79/72/1432987972.db2.gz INJUXRKQTNNWII-UHFFFAOYSA-N -1 3 391.471 3.370 20 10 GGCDHM Cc1cc(C(=O)N(CCN(C)C)CC(=O)[O-])c(C)n1-c1cccc(C(C)C)c1 ZINC000236806568 1433379487 /nfs/dbraw/zinc/37/94/87/1433379487.db2.gz YQHKXTGISGYYTL-UHFFFAOYSA-N -1 3 385.508 3.306 20 10 GGCDHM O=[N+]([O-])c1cc(Cl)cc(CNCc2ccnc(OC3CCOCC3)c2)c1[O-] ZINC000264930215 1434165388 /nfs/dbraw/zinc/16/53/88/1434165388.db2.gz AKEOOPSKOONFIQ-UHFFFAOYSA-N -1 3 393.827 3.196 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000273421888 1434987814 /nfs/dbraw/zinc/98/78/14/1434987814.db2.gz SFHAKJXHKSFIMI-JTQLQIEISA-N -1 3 394.353 3.091 20 10 GGCDHM CCNC(=O)N1CCc2ccc(N[C@@H](C)c3cc(C(=O)OC)ccc3[O-])cc21 ZINC000273448064 1434989481 /nfs/dbraw/zinc/98/94/81/1434989481.db2.gz OFALVTHDODEJJP-ZDUSSCGKSA-N -1 3 383.448 3.444 20 10 GGCDHM CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000276632506 1435221659 /nfs/dbraw/zinc/22/16/59/1435221659.db2.gz WIQYQGZKCZDMOO-UHFFFAOYSA-N -1 3 390.480 3.350 20 10 GGCDHM COc1c([O-])c(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278314551 1435379101 /nfs/dbraw/zinc/37/91/01/1435379101.db2.gz XELPRHIYBLYVGF-RYZVSIALSA-N -1 3 378.450 3.239 20 10 GGCDHM COc1c([O-])c(CNc2ccc(NC(=O)[C@H]3CCCO3)cc2)ccc1[N+](=O)[O-] ZINC000278570071 1435401348 /nfs/dbraw/zinc/40/13/48/1435401348.db2.gz CPOFIFVSYGWUKS-MRXNPFEDSA-N -1 3 387.392 3.039 20 10 GGCDHM COCCOC(=O)Nc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278857276 1435432031 /nfs/dbraw/zinc/43/20/31/1435432031.db2.gz LQSZKRAYHKYHHG-UHFFFAOYSA-N -1 3 391.380 3.116 20 10 GGCDHM COc1c([O-])c(CNc2ccc(N3CCSCC3)cc2)ccc1[N+](=O)[O-] ZINC000278876391 1435434478 /nfs/dbraw/zinc/43/44/78/1435434478.db2.gz NMPNIONGZWSFLX-UHFFFAOYSA-N -1 3 375.450 3.474 20 10 GGCDHM COc1c([O-])c(CNc2ccc(N3CCCC3=O)c(F)c2)ccc1[N+](=O)[O-] ZINC000278886285 1435435519 /nfs/dbraw/zinc/43/55/19/1435435519.db2.gz OUAJINUSUQQYFM-UHFFFAOYSA-N -1 3 375.356 3.187 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccncc2OCC(F)(F)F)c1 ZINC000281458619 1435809752 /nfs/dbraw/zinc/80/97/52/1435809752.db2.gz DSIHEGSTVCVVCT-LLVKDONJSA-N -1 3 384.354 3.366 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(N3C(=O)CCNC3=O)c2C)c1 ZINC000282747904 1435858875 /nfs/dbraw/zinc/85/88/75/1435858875.db2.gz NNXJCJZQXRSWJL-ZDUSSCGKSA-N -1 3 397.431 3.107 20 10 GGCDHM COc1ccc(O)c([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000826210585 1441904782 /nfs/dbraw/zinc/90/47/82/1441904782.db2.gz XEPPLAIKSOHIOF-SNVBAGLBSA-N -1 3 391.378 3.033 20 10 GGCDHM COc1ccc(O)c([C@@H](C)NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000826210585 1441904784 /nfs/dbraw/zinc/90/47/84/1441904784.db2.gz XEPPLAIKSOHIOF-SNVBAGLBSA-N -1 3 391.378 3.033 20 10 GGCDHM O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1sccc1-c1nn[n-]n1 ZINC000737865307 1443810163 /nfs/dbraw/zinc/81/01/63/1443810163.db2.gz QCJYFCHMXQNQRG-UHFFFAOYSA-N -1 3 398.492 3.017 20 10 GGCDHM CCOCc1cc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1OC ZINC000825605120 1446864254 /nfs/dbraw/zinc/86/42/54/1446864254.db2.gz QKPKYOQSMKUOSJ-UHFFFAOYSA-N -1 3 379.464 3.191 20 10 GGCDHM CCOCc1cc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1OC ZINC000825605120 1446864256 /nfs/dbraw/zinc/86/42/56/1446864256.db2.gz QKPKYOQSMKUOSJ-UHFFFAOYSA-N -1 3 379.464 3.191 20 10 GGCDHM Cc1cc(N(C)C)ccc1CNc1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000822206171 945993819 /nfs/dbraw/zinc/99/38/19/945993819.db2.gz WVMOWGZNDKDUFU-UHFFFAOYSA-N -1 3 391.454 3.271 20 10 GGCDHM Cc1cc(N(C)C)ccc1CNc1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000822206171 945993824 /nfs/dbraw/zinc/99/38/24/945993824.db2.gz WVMOWGZNDKDUFU-UHFFFAOYSA-N -1 3 391.454 3.271 20 10 GGCDHM Cc1ccnc(N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c1-c1nnn[n-]1 ZINC000826309680 947890832 /nfs/dbraw/zinc/89/08/32/947890832.db2.gz XVXOBYXJCKSSQS-UHFFFAOYSA-N -1 3 389.463 3.436 20 10 GGCDHM Cc1ccnc(N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c1-c1nn[n-]n1 ZINC000826309680 947890835 /nfs/dbraw/zinc/89/08/35/947890835.db2.gz XVXOBYXJCKSSQS-UHFFFAOYSA-N -1 3 389.463 3.436 20 10 GGCDHM C[C@@H](Cc1ccc(O)c(O)c1)Nc1c(Br)cccc1-c1nnn[n-]1 ZINC001575187511 952441508 /nfs/dbraw/zinc/44/15/08/952441508.db2.gz CLSGNSQTPPIYSD-VIFPVBQESA-N -1 3 390.241 3.084 20 10 GGCDHM C[C@@H](Cc1ccc(O)c(O)c1)Nc1c(Br)cccc1-c1nn[n-]n1 ZINC001575187511 952441512 /nfs/dbraw/zinc/44/15/12/952441512.db2.gz CLSGNSQTPPIYSD-VIFPVBQESA-N -1 3 390.241 3.084 20 10 GGCDHM CN(C)c1ccc([C@H](CNC(=O)Nc2cccc(CCC(=O)[O-])c2)N(C)C)cc1 ZINC001593708780 954167872 /nfs/dbraw/zinc/16/78/72/954167872.db2.gz AEWCENABVZFQMV-FQEVSTJZSA-N -1 3 398.507 3.194 20 10 GGCDHM Cc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccc1C(=O)[O-] ZINC001594319509 958111928 /nfs/dbraw/zinc/11/19/28/958111928.db2.gz GHQJEWOPPOVSSU-LJQANCHMSA-N -1 3 384.480 3.184 20 10 GGCDHM COc1cc(Br)cc(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)c1[O-] ZINC000844940710 979403929 /nfs/dbraw/zinc/40/39/29/979403929.db2.gz XXJVCHZAJGFOOB-GOSISDBHSA-N -1 3 394.265 3.295 20 10 GGCDHM O=C([O-])c1cnc(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)s1 ZINC000901931875 980636626 /nfs/dbraw/zinc/63/66/26/980636626.db2.gz QCNWSRJKDRLAHT-UHFFFAOYSA-N -1 3 387.505 3.058 20 10 GGCDHM CN(C)c1ccc([C@H](CNC(=O)c2cc(C(=O)[O-])ccc2Cl)N(C)C)cc1 ZINC000908352727 981306703 /nfs/dbraw/zinc/30/67/03/981306703.db2.gz SMLORYVQRQNHKZ-SFHVURJKSA-N -1 3 389.883 3.137 20 10 GGCDHM Cc1[nH]c(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C(=O)[O-] ZINC001599962708 985821450 /nfs/dbraw/zinc/82/14/50/985821450.db2.gz CPFCXAWXJOWXRM-CHWSQXEVSA-N -1 3 375.444 3.064 20 10 GGCDHM CN(C)c1ccc(/C=C\CN[C@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)cc1 ZINC001598314416 991297133 /nfs/dbraw/zinc/29/71/33/991297133.db2.gz RQPYKKKUHIZVCO-XQQSMPNESA-N -1 3 379.460 3.007 20 10 GGCDHM COc1ccc(N2CC[C@@H](NCc3oc(Br)cc3C(=O)[O-])C2)cc1 ZINC001599585610 993609344 /nfs/dbraw/zinc/60/93/44/993609344.db2.gz GRMCCKRATJWOPZ-LLVKDONJSA-N -1 3 395.253 3.117 20 10 GGCDHM C[C@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC001593204373 994200583 /nfs/dbraw/zinc/20/05/83/994200583.db2.gz QMHOTCGFNSMKMF-IRXDYDNUSA-N -1 3 384.476 3.398 20 10 GGCDHM C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593218368 994284342 /nfs/dbraw/zinc/28/43/42/994284342.db2.gz HWEDESWVHQLALD-HEHGZKQESA-N -1 3 378.469 3.387 20 10 GGCDHM C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247977 994467429 /nfs/dbraw/zinc/46/74/29/994467429.db2.gz IJAXQXCLLSCWLK-MRXNPFEDSA-N -1 3 376.497 3.024 20 10 GGCDHM C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265795 994575586 /nfs/dbraw/zinc/57/55/86/994575586.db2.gz XJZHZPJWIDFYMP-ZIAGYGMSSA-N -1 3 378.469 3.388 20 10 GGCDHM C[C@@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593271704 994606501 /nfs/dbraw/zinc/60/65/01/994606501.db2.gz LPCCECRUFNFUAR-LLVKDONJSA-N -1 3 396.365 3.190 20 10 GGCDHM C[C@H](Oc1ccccc1CN(Cc1ccccc1O)C[C@H]1CCCO1)C(=O)[O-] ZINC001593645191 995971645 /nfs/dbraw/zinc/97/16/45/995971645.db2.gz QDRHNOLWWJBUFB-QFBILLFUSA-N -1 3 385.460 3.425 20 10 GGCDHM COC(=O)c1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc(C(=O)[O-])c1 ZINC001598929532 997719994 /nfs/dbraw/zinc/71/99/94/997719994.db2.gz ONBWMZVHDOVQDF-LJQANCHMSA-N -1 3 399.443 3.058 20 10 GGCDHM COC1CCN(c2ccc(CN[C@](C)(CC(=O)[O-])c3cccnc3)cc2)CC1 ZINC001599126833 997867195 /nfs/dbraw/zinc/86/71/95/997867195.db2.gz NINGMOPPOUPXIL-JOCHJYFZSA-N -1 3 383.492 3.177 20 10 GGCDHM COC1CCN(c2ccc(CN3CCC(c4cc(C(=O)[O-])on4)CC3)cc2)CC1 ZINC001599127047 997871261 /nfs/dbraw/zinc/87/12/61/997871261.db2.gz POLHSOJRWJGXFR-UHFFFAOYSA-N -1 3 399.491 3.368 20 10 GGCDHM COc1cc(Br)cc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC001599346144 998009662 /nfs/dbraw/zinc/00/96/62/998009662.db2.gz GFRBTQBGUQTYGZ-HNNXBMFYSA-N -1 3 380.238 3.421 20 10 GGCDHM COc1cc(Br)cc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC001599346144 998009672 /nfs/dbraw/zinc/00/96/72/998009672.db2.gz GFRBTQBGUQTYGZ-HNNXBMFYSA-N -1 3 380.238 3.421 20 10 GGCDHM COc1cc(Br)cc(CN[C@H](C(=O)[O-])c2ccccc2F)c1O ZINC001599346561 998017077 /nfs/dbraw/zinc/01/70/77/998017077.db2.gz ISJPIQURIDDPDY-AWEZNQCLSA-N -1 3 384.201 3.218 20 10 GGCDHM C[C@H]1[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC[C@H]1CC(=O)[O-] ZINC001594179789 998696668 /nfs/dbraw/zinc/69/66/68/998696668.db2.gz QGYMWIHDKGQCGM-LTCOOKNTSA-N -1 3 380.916 3.489 20 10 GGCDHM C[C@H]1[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC[C@H]1CC(=O)[O-] ZINC001594179788 998696827 /nfs/dbraw/zinc/69/68/27/998696827.db2.gz QGYMWIHDKGQCGM-IDCJVQTKSA-N -1 3 380.916 3.489 20 10 GGCDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 ZINC000013000277 221255025 /nfs/dbraw/zinc/25/50/25/221255025.db2.gz AZCWMMMZIVPXOM-UHFFFAOYSA-N -1 3 388.898 3.129 20 10 GGCDHM C[C@H](C[S@](C)=O)N(C)Cc1cc(Br)cc(Br)c1[O-] ZINC000131037753 564699199 /nfs/dbraw/zinc/69/91/99/564699199.db2.gz AQELRGZKUSFZKO-NTCNTBNZSA-N -1 3 399.148 3.116 20 10 GGCDHM C[C@@H](C[S@](C)=O)N(C)Cc1cc(Br)cc(Br)c1[O-] ZINC000131037549 564699512 /nfs/dbraw/zinc/69/95/12/564699512.db2.gz AQELRGZKUSFZKO-DCXZOGHSSA-N -1 3 399.148 3.116 20 10 GGCDHM O=C(CC1CCN(Cc2cc(Br)ccc2[O-])CC1)N1CCCC1 ZINC000092055467 564873853 /nfs/dbraw/zinc/87/38/53/564873853.db2.gz NYPFDYUAVMZILQ-UHFFFAOYSA-N -1 3 381.314 3.379 20 10 GGCDHM CCN(Cc1ccc(C(=O)N(C)C)[nH]1)Cc1cc(Br)ccc1[O-] ZINC000093866944 564891632 /nfs/dbraw/zinc/89/16/32/564891632.db2.gz QASSTOAEZHSCKN-UHFFFAOYSA-N -1 3 380.286 3.207 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1C ZINC000105591166 564969651 /nfs/dbraw/zinc/96/96/51/564969651.db2.gz UEDQWICYDWVHIC-UHFFFAOYSA-N -1 3 386.470 3.005 20 10 GGCDHM CS(=O)(=O)C[C@@H](NCc1cc(Br)ccc1[O-])c1ccccc1 ZINC000154998957 565059085 /nfs/dbraw/zinc/05/90/85/565059085.db2.gz TVZYFIVYGMNGQM-OAHLLOKOSA-N -1 3 384.295 3.030 20 10 GGCDHM COc1cc(Cl)cc(CN2CCCN(C(=O)c3ccsc3)CC2)c1[O-] ZINC000184682536 565152793 /nfs/dbraw/zinc/15/27/93/565152793.db2.gz JRGLZCUQCJAHKH-UHFFFAOYSA-N -1 3 380.897 3.464 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000295320402 565258767 /nfs/dbraw/zinc/25/87/67/565258767.db2.gz ODCAPPPJPIWLET-UHFFFAOYSA-N -1 3 380.491 3.126 20 10 GGCDHM C[C@H](NCc1cc(Br)cc(Br)c1[O-])c1cn[nH]c1 ZINC000271773346 565267043 /nfs/dbraw/zinc/26/70/43/565267043.db2.gz CAGHKOZWBNXNCX-ZETCQYMHSA-N -1 3 375.064 3.491 20 10 GGCDHM CCn1cc(CNCc2cc(Br)cc(Br)c2[O-])cn1 ZINC000271775156 565267251 /nfs/dbraw/zinc/26/72/51/565267251.db2.gz CIVNYTSZCUFVHV-UHFFFAOYSA-N -1 3 389.091 3.423 20 10 GGCDHM Cc1cc(Br)cc(CN2CCn3c(nnc3C(F)(F)F)C2)c1[O-] ZINC000271894289 565271901 /nfs/dbraw/zinc/27/19/01/565271901.db2.gz XTEKQFJYXBZIBR-UHFFFAOYSA-N -1 3 391.191 3.089 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000187018606 565302622 /nfs/dbraw/zinc/30/26/22/565302622.db2.gz IUDQRCNIRFVLHO-OAHLLOKOSA-N -1 3 378.222 3.074 20 10 GGCDHM C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-] ZINC000273428968 565319625 /nfs/dbraw/zinc/31/96/25/565319625.db2.gz KTXZEVGYKVMWAY-LLVKDONJSA-N -1 3 384.841 3.078 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1nnc(C(C)C)[nH]1 ZINC000297617243 565378969 /nfs/dbraw/zinc/37/89/69/565378969.db2.gz AMMGJALVSIHSCM-UHFFFAOYSA-N -1 3 396.289 3.128 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCC[C@H]1CCO ZINC000188520645 565407031 /nfs/dbraw/zinc/40/70/31/565407031.db2.gz JWXVRDCFULOANZ-WFASDCNBSA-N -1 3 385.302 3.237 20 10 GGCDHM O=C(CCc1cscn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000378176617 565515022 /nfs/dbraw/zinc/51/50/22/565515022.db2.gz YZSCXBCFZUMZBB-HNNXBMFYSA-N -1 3 379.913 3.216 20 10 GGCDHM CCc1nc(CCN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cs1 ZINC000277738053 565517778 /nfs/dbraw/zinc/51/77/78/565517778.db2.gz IYBWWHJFFPNEBH-UHFFFAOYSA-N -1 3 379.869 3.071 20 10 GGCDHM CNS(=O)(=O)c1cccc(CN[C@H](C)c2cc(Cl)c(Cl)cc2[O-])c1 ZINC000278206754 565545221 /nfs/dbraw/zinc/54/52/21/565545221.db2.gz HEPXJUHCZIZWJK-SNVBAGLBSA-N -1 3 389.304 3.458 20 10 GGCDHM COc1cc(CNCc2cccc(Br)c2[O-])c([N+](=O)[O-])cc1OC ZINC000278327716 565552210 /nfs/dbraw/zinc/55/22/10/565552210.db2.gz GTWPMWSXKJHMTG-UHFFFAOYSA-N -1 3 397.225 3.370 20 10 GGCDHM COc1c([O-])c(CNc2ccc(Cl)c(C[S@@](C)=O)c2)ccc1[N+](=O)[O-] ZINC000278497115 565562492 /nfs/dbraw/zinc/56/24/92/565562492.db2.gz MSZKTKMKVOIGHX-RUZDIDTESA-N -1 3 384.841 3.453 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCc1ccc(=O)[nH]c1 ZINC000279765846 565633126 /nfs/dbraw/zinc/63/31/26/565633126.db2.gz FKWUOSQRDPBVOD-UHFFFAOYSA-N -1 3 379.254 3.237 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1C ZINC000174684516 565652516 /nfs/dbraw/zinc/65/25/16/565652516.db2.gz SSCABBFZBPZFHP-UHFFFAOYSA-N -1 3 386.470 3.005 20 10 GGCDHM CCS(=O)(=O)c1ccc(CNCc2cc(Br)ccc2[O-])s1 ZINC000280557450 565680444 /nfs/dbraw/zinc/68/04/44/565680444.db2.gz KOXGIUFYJJTDOD-UHFFFAOYSA-N -1 3 390.324 3.300 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC(C)(C)C[C@H](C)O ZINC000175567078 565709337 /nfs/dbraw/zinc/70/93/37/565709337.db2.gz LLIUKXUPLZAETD-LBPRGKRZSA-N -1 3 387.318 3.483 20 10 GGCDHM Cc1cc(N2CC[C@@H](N[C@@H](C)c3cc(Cl)c(Cl)cc3[O-])C2=O)n(C)n1 ZINC000193010704 565724363 /nfs/dbraw/zinc/72/43/63/565724363.db2.gz LVKZIUFXBUJCSL-IINYFYTJSA-N -1 3 383.279 3.197 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCc1c(C)n[nH]c1C ZINC000175850042 565727550 /nfs/dbraw/zinc/72/75/50/565727550.db2.gz SMDGHXBNMMAHJE-UHFFFAOYSA-N -1 3 380.286 3.476 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cc(C(C)=O)cn1C ZINC000176205346 565756877 /nfs/dbraw/zinc/75/68/77/565756877.db2.gz OJKVGEQRDMMTAE-UHFFFAOYSA-N -1 3 379.254 3.358 20 10 GGCDHM COc1ccc(NCc2c([O-])cccc2Cl)cc1S(=O)(=O)NC1CC1 ZINC000285641653 565919805 /nfs/dbraw/zinc/91/98/05/565919805.db2.gz RUNDQGHPNDNJAS-UHFFFAOYSA-N -1 3 382.869 3.107 20 10 GGCDHM CC(C)(C)c1nsc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000285902819 565932562 /nfs/dbraw/zinc/93/25/62/565932562.db2.gz CRIREBRIXKVPKO-UHFFFAOYSA-N -1 3 380.857 3.163 20 10 GGCDHM CN(C)S(=O)(=O)c1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000237108502 565951632 /nfs/dbraw/zinc/95/16/32/565951632.db2.gz WKWHFRCXFNTHNF-UHFFFAOYSA-N -1 3 389.304 3.239 20 10 GGCDHM O=S(=O)(NC1CCN(Cc2cccc(Cl)c2[O-])CC1)c1cccs1 ZINC000179647966 565996040 /nfs/dbraw/zinc/99/60/40/565996040.db2.gz RSEXEEAYVNCXAR-UHFFFAOYSA-N -1 3 386.926 3.050 20 10 GGCDHM C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(F)c1[O-] ZINC000363858986 566024407 /nfs/dbraw/zinc/02/44/07/566024407.db2.gz RXDBHCUOWJCNNT-ZUZCIYMTSA-N -1 3 398.276 3.211 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnc(C2CC2)nc1N ZINC000287811333 566041262 /nfs/dbraw/zinc/04/12/62/566041262.db2.gz AMHNVPJCMQKPAM-UHFFFAOYSA-N -1 3 391.269 3.067 20 10 GGCDHM C[C@H](O)[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180865218 566093763 /nfs/dbraw/zinc/09/37/63/566093763.db2.gz XNUPCBHEOQDSFG-DTWKUNHWSA-N -1 3 379.092 3.120 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1ccnnc1OC ZINC000288907224 566096821 /nfs/dbraw/zinc/09/68/21/566096821.db2.gz MVXINCLSMRRILV-UHFFFAOYSA-N -1 3 381.230 3.007 20 10 GGCDHM O=S(=O)(c1ccc(CNCc2cccc(Cl)c2[O-])cc1)N1CCCC1 ZINC000181374901 566137042 /nfs/dbraw/zinc/13/70/42/566137042.db2.gz MESQPZSHRHGMJP-UHFFFAOYSA-N -1 3 380.897 3.120 20 10 GGCDHM Cc1cc(Br)cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000289786770 566140431 /nfs/dbraw/zinc/14/04/31/566140431.db2.gz RVTNLIRZZVBBSI-WCQYABFASA-N -1 3 382.220 3.456 20 10 GGCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c1[O-] ZINC000181784605 566165479 /nfs/dbraw/zinc/16/54/79/566165479.db2.gz JOQUEDLCKVIAPG-KRWDZBQOSA-N -1 3 381.881 3.124 20 10 GGCDHM CC(C)NS(=O)(=O)Cc1ccccc1CNCc1c([O-])cccc1Cl ZINC000264938865 566228514 /nfs/dbraw/zinc/22/85/14/566228514.db2.gz FDIURVZNZOJMMP-UHFFFAOYSA-N -1 3 382.913 3.163 20 10 GGCDHM C[C@H](NC(c1nccn1C)c1nccn1C)c1ccc(Br)cc1[O-] ZINC000527944187 567386256 /nfs/dbraw/zinc/38/62/56/567386256.db2.gz HBLOZYZGCHITIV-NSHDSACASA-N -1 3 390.285 3.062 20 10 GGCDHM CS[C@@H]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000821951304 599185720 /nfs/dbraw/zinc/18/57/20/599185720.db2.gz WEELXYZOELQSAJ-DOTOQJQBSA-N -1 3 396.520 3.288 20 10 GGCDHM CCN(CC)c1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000736532964 598561322 /nfs/dbraw/zinc/56/13/22/598561322.db2.gz WJCASWOSFNFYDP-UHFFFAOYSA-N -1 3 383.431 3.174 20 10 GGCDHM CCN(CC)c1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000736532964 598561323 /nfs/dbraw/zinc/56/13/23/598561323.db2.gz WJCASWOSFNFYDP-UHFFFAOYSA-N -1 3 383.431 3.174 20 10 GGCDHM Cc1cc(C(=O)N[C@H](C)Cc2ccco2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234277 598610568 /nfs/dbraw/zinc/61/05/68/598610568.db2.gz ODKUBKAJWMDUBZ-CYBMUJFWSA-N -1 3 390.447 3.228 20 10 GGCDHM Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238121 598610887 /nfs/dbraw/zinc/61/08/87/598610887.db2.gz IWGCVVUDKGUXDK-UHFFFAOYSA-N -1 3 398.430 3.403 20 10 GGCDHM Cc1cc(C(=O)Nc2ccc3c[nH]nc3c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238815 598610978 /nfs/dbraw/zinc/61/09/78/598610978.db2.gz UQWSVEWKBXDREN-UHFFFAOYSA-N -1 3 398.430 3.403 20 10 GGCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737106632 598780679 /nfs/dbraw/zinc/78/06/79/598780679.db2.gz WLJMIQHRJRACKN-VIFPVBQESA-N -1 3 388.815 3.117 20 10 GGCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737106632 598780680 /nfs/dbraw/zinc/78/06/80/598780680.db2.gz WLJMIQHRJRACKN-VIFPVBQESA-N -1 3 388.815 3.117 20 10 GGCDHM CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821610734 599320251 /nfs/dbraw/zinc/32/02/51/599320251.db2.gz CBICHBYHYQLFES-UHFFFAOYSA-N -1 3 393.451 3.402 20 10 GGCDHM CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821610734 599320254 /nfs/dbraw/zinc/32/02/54/599320254.db2.gz CBICHBYHYQLFES-UHFFFAOYSA-N -1 3 393.451 3.402 20 10 GGCDHM Cc1cc(C(=O)N(C)c2cccc(C)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737396756 599386169 /nfs/dbraw/zinc/38/61/69/599386169.db2.gz NIJBDAOSWMTFAK-UHFFFAOYSA-N -1 3 387.447 3.254 20 10 GGCDHM CCCC[C@@H](COC)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736439598 599390819 /nfs/dbraw/zinc/39/08/19/599390819.db2.gz XEYFBHISCHKJPS-KRWDZBQOSA-N -1 3 396.495 3.209 20 10 GGCDHM CO[C@@H](CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(C)(C)C ZINC000821677118 599654716 /nfs/dbraw/zinc/65/47/16/599654716.db2.gz OYBSKFXIAWTLCJ-SFHVURJKSA-N -1 3 396.495 3.065 20 10 GGCDHM Cc1cncc(C=CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c1 ZINC000822399433 607394579 /nfs/dbraw/zinc/39/45/79/607394579.db2.gz HVWUARANGYIMAY-HJWRWDBZSA-N -1 3 386.415 3.410 20 10 GGCDHM Cc1cncc(C=CC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c1 ZINC000822399433 607394581 /nfs/dbraw/zinc/39/45/81/607394581.db2.gz HVWUARANGYIMAY-HJWRWDBZSA-N -1 3 386.415 3.410 20 10 GGCDHM O=C([O-])c1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000740160246 600148839 /nfs/dbraw/zinc/14/88/39/600148839.db2.gz HQDMKYAVDQOCBF-LJQANCHMSA-N -1 3 385.460 3.275 20 10 GGCDHM O=C([O-])c1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000740160246 600148840 /nfs/dbraw/zinc/14/88/40/600148840.db2.gz HQDMKYAVDQOCBF-LJQANCHMSA-N -1 3 385.460 3.275 20 10 GGCDHM C[C@@](NCc1ccc2c(c1)CCO2)(C(=O)[O-])c1cccc(Br)c1 ZINC000736663661 600317515 /nfs/dbraw/zinc/31/75/15/600317515.db2.gz FANSFTZVOMKAKQ-SFHVURJKSA-N -1 3 376.250 3.474 20 10 GGCDHM C[C@](NCc1ccc2c(c1)CCO2)(C(=O)[O-])c1cccc(Br)c1 ZINC000736663660 600317800 /nfs/dbraw/zinc/31/78/00/600317800.db2.gz FANSFTZVOMKAKQ-GOSISDBHSA-N -1 3 376.250 3.474 20 10 GGCDHM COc1cc(Br)cc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1[O-] ZINC000831861361 604681067 /nfs/dbraw/zinc/68/10/67/604681067.db2.gz WXOPBPLWKBTIDC-HONMWMINSA-N -1 3 384.270 3.381 20 10 GGCDHM COc1cc(Br)cc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1[O-] ZINC000831861361 604681072 /nfs/dbraw/zinc/68/10/72/604681072.db2.gz WXOPBPLWKBTIDC-HONMWMINSA-N -1 3 384.270 3.381 20 10 GGCDHM CCN(Cc1ccc(Cl)s1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055187325 1406900340 /nfs/dbraw/zinc/90/03/40/1406900340.db2.gz ZRFXFXWXVCLIQF-UHFFFAOYSA-N -1 3 388.898 3.141 20 10 GGCDHM O=C1[N-]C(=O)C(=CNc2ccc3c(c2)C(=O)c2ccccc2C3=O)c2ccccc21 ZINC000016718775 1399257728 /nfs/dbraw/zinc/25/77/28/1399257728.db2.gz IXLVZFGEZUBWLI-NDENLUEZSA-N -1 3 394.386 3.185 20 10 GGCDHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000023398229 1399556877 /nfs/dbraw/zinc/55/68/77/1399556877.db2.gz PIMUOTDIODNFCH-UHFFFAOYSA-N -1 3 396.534 3.448 20 10 GGCDHM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)ccc1OC(C)C ZINC000055679100 1407052913 /nfs/dbraw/zinc/05/29/13/1407052913.db2.gz FSLBXRNNGXPYNS-UHFFFAOYSA-N -1 3 390.505 3.420 20 10 GGCDHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000060127829 1407941050 /nfs/dbraw/zinc/94/10/50/1407941050.db2.gz KZOOWMHJNBFJSV-AWEZNQCLSA-N -1 3 390.505 3.250 20 10 GGCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000063849052 1408427032 /nfs/dbraw/zinc/42/70/32/1408427032.db2.gz QOXCTCFAEQHXSU-UHFFFAOYSA-N -1 3 394.518 3.128 20 10 GGCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(CC)c2)cc1 ZINC000176462000 1428327081 /nfs/dbraw/zinc/32/70/81/1428327081.db2.gz ZHRRJRDVZLTXHE-UHFFFAOYSA-N -1 3 382.507 3.202 20 10 GGCDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065770211 1408727004 /nfs/dbraw/zinc/72/70/04/1408727004.db2.gz QULBEYPKAWDAFF-UHFFFAOYSA-N -1 3 392.459 3.224 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3ccccc3)CC2)c1 ZINC000067179471 1409034283 /nfs/dbraw/zinc/03/42/83/1409034283.db2.gz DMDHJEURZCNFTD-INIZCTEOSA-N -1 3 388.489 3.174 20 10 GGCDHM Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c([O-])c1 ZINC000071933381 1409831338 /nfs/dbraw/zinc/83/13/38/1409831338.db2.gz MDHBGXSOWZQYMD-UHFFFAOYSA-N -1 3 394.393 3.486 20 10 GGCDHM Cc1cccc([C@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C ZINC000091735929 1410079353 /nfs/dbraw/zinc/07/93/53/1410079353.db2.gz PQBDWUGFDYMRNQ-GOSISDBHSA-N -1 3 388.489 3.358 20 10 GGCDHM CN(CC(=O)Nc1ccc(Br)cn1)Cc1cc(Cl)ccc1[O-] ZINC000093004915 1410214071 /nfs/dbraw/zinc/21/40/71/1410214071.db2.gz VTBHFMNBFOVASB-UHFFFAOYSA-N -1 3 384.661 3.274 20 10 GGCDHM COC(=O)CN(Cc1ccc(N2CCCC2)nc1)Cc1cc(Cl)ccc1[O-] ZINC000093277096 1410228912 /nfs/dbraw/zinc/22/89/12/1410228912.db2.gz GJUGIPLBLUFZOX-UHFFFAOYSA-N -1 3 389.883 3.216 20 10 GGCDHM O=C1CCCCN1CC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093532090 1410250124 /nfs/dbraw/zinc/25/01/24/1410250124.db2.gz FQSUTEYRDBUMQR-UHFFFAOYSA-N -1 3 381.860 3.178 20 10 GGCDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc(Br)c3[O-])C2)nc1 ZINC000093534485 1410251041 /nfs/dbraw/zinc/25/10/41/1410251041.db2.gz NCXKHIIVCLUICB-LBPRGKRZSA-N -1 3 393.241 3.144 20 10 GGCDHM Cc1nsc(N2CCCN(Cc3cccc(Br)c3[O-])CC2)n1 ZINC000093716963 1410261645 /nfs/dbraw/zinc/26/16/45/1410261645.db2.gz MAHOTMASXNAZBT-UHFFFAOYSA-N -1 3 383.315 3.027 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000093908026 1410282673 /nfs/dbraw/zinc/28/26/73/1410282673.db2.gz RAODXEGNUUCKAH-UHFFFAOYSA-N -1 3 396.468 3.283 20 10 GGCDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000093910179 1410283640 /nfs/dbraw/zinc/28/36/40/1410283640.db2.gz YZINYKAHZILHCM-HNNXBMFYSA-N -1 3 382.869 3.298 20 10 GGCDHM CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(Cl)c1 ZINC000093929241 1410286309 /nfs/dbraw/zinc/28/63/09/1410286309.db2.gz IFXVEZBJVWXNMY-OAHLLOKOSA-N -1 3 382.869 3.298 20 10 GGCDHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093929434 1410286518 /nfs/dbraw/zinc/28/65/18/1410286518.db2.gz AMKKNZZQNMXJDQ-LLVKDONJSA-N -1 3 382.869 3.250 20 10 GGCDHM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093929847 1410287197 /nfs/dbraw/zinc/28/71/97/1410287197.db2.gz MGTNGHWGRUHSHD-NSHDSACASA-N -1 3 382.869 3.250 20 10 GGCDHM CC(C)(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000094019135 1410294274 /nfs/dbraw/zinc/29/42/74/1410294274.db2.gz KYWYXPOMVFUQOE-QGZVFWFLSA-N -1 3 376.478 3.281 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000094120544 1410304669 /nfs/dbraw/zinc/30/46/69/1410304669.db2.gz IOYBOOFWCDPYEX-GOSISDBHSA-N -1 3 392.452 3.174 20 10 GGCDHM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094120756 1410305047 /nfs/dbraw/zinc/30/50/47/1410305047.db2.gz KZACNKYZNMOOST-CQSZACIVSA-N -1 3 376.478 3.205 20 10 GGCDHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094125432 1410306673 /nfs/dbraw/zinc/30/66/73/1410306673.db2.gz VWGFAHPCJMUQBH-AWEZNQCLSA-N -1 3 388.489 3.205 20 10 GGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000111238347 1411897006 /nfs/dbraw/zinc/89/70/06/1411897006.db2.gz IMMZIYIDFAOYSK-UHFFFAOYSA-N -1 3 382.775 3.268 20 10 GGCDHM COC(=O)CN(Cc1ccc(-n2ccnc2)cc1)Cc1cc(Cl)ccc1[O-] ZINC000111238334 1411897020 /nfs/dbraw/zinc/89/70/20/1411897020.db2.gz WFMFFVPNGWGACM-UHFFFAOYSA-N -1 3 385.851 3.407 20 10 GGCDHM COC(=O)CN(Cc1cc(-c2ccco2)on1)Cc1cc(Cl)ccc1[O-] ZINC000111238393 1411897356 /nfs/dbraw/zinc/89/73/56/1411897356.db2.gz PGUKVEFDJNWNKW-UHFFFAOYSA-N -1 3 376.796 3.469 20 10 GGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(CN3CCCCC3=O)CC2)c1[O-] ZINC000177191086 1428622995 /nfs/dbraw/zinc/62/29/95/1428622995.db2.gz XZYJTGHUTHYBRR-UHFFFAOYSA-N -1 3 378.900 3.473 20 10 GGCDHM CC(=O)c1ccc(N2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])CC2)c(F)c1 ZINC000177238514 1428645502 /nfs/dbraw/zinc/64/55/02/1428645502.db2.gz VRQFFZGRRUKHLC-UHFFFAOYSA-N -1 3 388.414 3.398 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1[O-] ZINC000177238721 1428645555 /nfs/dbraw/zinc/64/55/55/1428645555.db2.gz SWSNKRRBUHKCPR-UHFFFAOYSA-N -1 3 383.423 3.214 20 10 GGCDHM CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1[O-] ZINC000177247647 1428650798 /nfs/dbraw/zinc/65/07/98/1428650798.db2.gz GEYZKYQUQSFXQH-GFCCVEGCSA-N -1 3 379.453 3.330 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCC(NC(=O)c3ccc(C)s3)CC2)c1[O-] ZINC000177271456 1428665563 /nfs/dbraw/zinc/66/55/63/1428665563.db2.gz KJLQILCGCHKKMY-UHFFFAOYSA-N -1 3 390.480 3.498 20 10 GGCDHM COC(=O)Cc1nnc(NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)[n-]1 ZINC000118661853 1413202490 /nfs/dbraw/zinc/20/24/90/1413202490.db2.gz MPODZUMZDBOILX-UHFFFAOYSA-N -1 3 395.463 3.303 20 10 GGCDHM COC(=O)Cc1nc(NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)n[n-]1 ZINC000118661853 1413202494 /nfs/dbraw/zinc/20/24/94/1413202494.db2.gz MPODZUMZDBOILX-UHFFFAOYSA-N -1 3 395.463 3.303 20 10 GGCDHM CC(=O)c1cc(Cl)cc(CN[C@](C)(C(N)=O)c2cccc(Cl)c2)c1[O-] ZINC000177390650 1428715439 /nfs/dbraw/zinc/71/54/39/1428715439.db2.gz OMCYHXHDACWMSO-SFHVURJKSA-N -1 3 381.259 3.392 20 10 GGCDHM CSCC[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1nnc2ccccn21 ZINC000119968539 1413636287 /nfs/dbraw/zinc/63/62/87/1413636287.db2.gz FDOSBXKYSZJQMC-INIZCTEOSA-N -1 3 388.468 3.361 20 10 GGCDHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1F ZINC000122013169 1414339565 /nfs/dbraw/zinc/33/95/65/1414339565.db2.gz BCNSAWJXYYBAIG-AWEZNQCLSA-N -1 3 396.459 3.149 20 10 GGCDHM CS(=O)(=O)c1ccccc1-n1cc(NCc2c([O-])cccc2Cl)cn1 ZINC000124493773 1414981470 /nfs/dbraw/zinc/98/14/70/1414981470.db2.gz HANQRSKINWICMD-UHFFFAOYSA-N -1 3 377.853 3.247 20 10 GGCDHM O=C(c1ccc(F)cc1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000128739638 1416056279 /nfs/dbraw/zinc/05/62/79/1416056279.db2.gz YEEZAZCTCORGPO-UHFFFAOYSA-N -1 3 393.256 3.252 20 10 GGCDHM O=C(CSC(F)(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134259807 1417045441 /nfs/dbraw/zinc/04/54/41/1417045441.db2.gz WRAAXEGCKHZDOS-LBPRGKRZSA-N -1 3 382.835 3.379 20 10 GGCDHM CNc1snc(C)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134260993 1417045526 /nfs/dbraw/zinc/04/55/26/1417045526.db2.gz YTIQQUFXPGDGCF-CQSZACIVSA-N -1 3 394.928 3.247 20 10 GGCDHM CC(C)c1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1C ZINC000134267071 1417047354 /nfs/dbraw/zinc/04/73/54/1417047354.db2.gz ZUBNJYFARWDQKU-MRXNPFEDSA-N -1 3 390.915 3.297 20 10 GGCDHM Cc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000179112214 1429265395 /nfs/dbraw/zinc/26/53/95/1429265395.db2.gz LILSDWPMZSMIGC-UHFFFAOYSA-N -1 3 382.851 3.029 20 10 GGCDHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000179623944 1429475669 /nfs/dbraw/zinc/47/56/69/1429475669.db2.gz UUAZYMVXMPBEFZ-QGZVFWFLSA-N -1 3 390.505 3.165 20 10 GGCDHM CN1CCO[C@H]([C@H](NCc2cc([N+](=O)[O-])ccc2[O-])c2ccc(Cl)cc2)C1 ZINC000179766109 1429548784 /nfs/dbraw/zinc/54/87/84/1429548784.db2.gz CPXQQCBQLDTYJR-RBUKOAKNSA-N -1 3 391.855 3.115 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C(=O)OC)c1cccnc1 ZINC000154169782 1422849893 /nfs/dbraw/zinc/84/98/93/1422849893.db2.gz FNUDPNBBCWZZJE-MRXNPFEDSA-N -1 3 379.254 3.286 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2CC(=O)c2cccs2)c1[O-] ZINC000154451435 1422890621 /nfs/dbraw/zinc/89/06/21/1422890621.db2.gz HRQUYZZYDYOYDJ-HNNXBMFYSA-N -1 3 377.437 3.269 20 10 GGCDHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000179827109 1429597810 /nfs/dbraw/zinc/59/78/10/1429597810.db2.gz LBUSLGOUUHTRGI-SFHVURJKSA-N -1 3 388.489 3.358 20 10 GGCDHM O=C(Cc1ccccc1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000179978438 1429672257 /nfs/dbraw/zinc/67/22/57/1429672257.db2.gz RSXWMFWKFCEJAN-UHFFFAOYSA-N -1 3 389.293 3.042 20 10 GGCDHM COc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000826168354 1424267369 /nfs/dbraw/zinc/26/73/69/1424267369.db2.gz KOOLVGJZTROTSN-UHFFFAOYSA-N -1 3 380.496 3.352 20 10 GGCDHM COc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000826168354 1424267379 /nfs/dbraw/zinc/26/73/79/1424267379.db2.gz KOOLVGJZTROTSN-UHFFFAOYSA-N -1 3 380.496 3.352 20 10 GGCDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CC)cc2)cc1CC ZINC000160059232 1424568179 /nfs/dbraw/zinc/56/81/79/1424568179.db2.gz NLKDNVMKYQFWIW-UHFFFAOYSA-N -1 3 396.534 3.374 20 10 GGCDHM COC(=O)CN(Cc1noc(-c2ccsc2)n1)Cc1cc(Cl)ccc1[O-] ZINC000160876804 1424640770 /nfs/dbraw/zinc/64/07/70/1424640770.db2.gz QVRKBGUXWFGHKX-UHFFFAOYSA-N -1 3 393.852 3.332 20 10 GGCDHM CN1CCC[C@H]2C[N@H+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])CC[C@@H]21 ZINC000164610625 1425128751 /nfs/dbraw/zinc/12/87/51/1425128751.db2.gz KZBHTNSXANZFDV-PXNSSMCTSA-N -1 3 380.488 3.245 20 10 GGCDHM CN1CCC[C@H]2C[N@@H+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])CC[C@@H]21 ZINC000164610625 1425128752 /nfs/dbraw/zinc/12/87/52/1425128752.db2.gz KZBHTNSXANZFDV-PXNSSMCTSA-N -1 3 380.488 3.245 20 10 GGCDHM COC(=O)CN(Cc1nc(CCC(C)C)no1)Cc1cc(Cl)ccc1[O-] ZINC000173363067 1426536106 /nfs/dbraw/zinc/53/61/06/1426536106.db2.gz OKERIRUQONYERS-UHFFFAOYSA-N -1 3 381.860 3.192 20 10 GGCDHM [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826511265 1426887503 /nfs/dbraw/zinc/88/75/03/1426887503.db2.gz IUFLDMZDDXUWME-OAQYLSRUSA-N -1 3 387.443 3.299 20 10 GGCDHM [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826511265 1426887510 /nfs/dbraw/zinc/88/75/10/1426887510.db2.gz IUFLDMZDDXUWME-OAQYLSRUSA-N -1 3 387.443 3.299 20 10 GGCDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC[C@@H]1c1ccccc1 ZINC000174231982 1427061938 /nfs/dbraw/zinc/06/19/38/1427061938.db2.gz MFDXMQKPBOIMMP-YOEHRIQHSA-N -1 3 388.489 3.030 20 10 GGCDHM CCN(CCS(=O)(=O)c1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000174424532 1427150742 /nfs/dbraw/zinc/15/07/42/1427150742.db2.gz ZPMHZOHTXIWCIV-UHFFFAOYSA-N -1 3 398.322 3.451 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCc3c(cccc3N3CCOC3=O)C2)c1[O-] ZINC000175741719 1427876063 /nfs/dbraw/zinc/87/60/63/1427876063.db2.gz YFLPPVGPLBMFAC-UHFFFAOYSA-N -1 3 384.407 3.249 20 10 GGCDHM COc1ccc(N2CCC([N-]S(=O)(=O)c3cc(C)c(F)cc3F)CC2)cc1 ZINC000175793025 1427894844 /nfs/dbraw/zinc/89/48/44/1427894844.db2.gz FNLORVIUOIBGDI-UHFFFAOYSA-N -1 3 396.459 3.229 20 10 GGCDHM COc1ccc(-c2nn[n-]n2)cc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000826182127 1430059433 /nfs/dbraw/zinc/05/94/33/1430059433.db2.gz ANNUVAAUCIAKLQ-UHFFFAOYSA-N -1 3 378.480 3.106 20 10 GGCDHM COc1ccc(-c2nnn[n-]2)cc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000826182127 1430059440 /nfs/dbraw/zinc/05/94/40/1430059440.db2.gz ANNUVAAUCIAKLQ-UHFFFAOYSA-N -1 3 378.480 3.106 20 10 GGCDHM O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c([O-])cccc1O ZINC000180857205 1430072541 /nfs/dbraw/zinc/07/25/41/1430072541.db2.gz TZYVBYQAFMMGTM-LBPRGKRZSA-N -1 3 378.375 3.098 20 10 GGCDHM Cc1ccc(C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)c([O-])c1O ZINC000182830464 1430549013 /nfs/dbraw/zinc/54/90/13/1430549013.db2.gz XWQPASCGCASKQE-UHFFFAOYSA-N -1 3 378.310 3.258 20 10 GGCDHM CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[n-]n1 ZINC000183280789 1430668543 /nfs/dbraw/zinc/66/85/43/1430668543.db2.gz GXBOAIBXKCYZTO-UHFFFAOYSA-N -1 3 377.404 3.118 20 10 GGCDHM CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n[n-]1 ZINC000183280789 1430668545 /nfs/dbraw/zinc/66/85/45/1430668545.db2.gz GXBOAIBXKCYZTO-UHFFFAOYSA-N -1 3 377.404 3.118 20 10 GGCDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3cccc4cnccc43)c2)CC1 ZINC000185158776 1431074320 /nfs/dbraw/zinc/07/43/20/1431074320.db2.gz NZKGSSLESQJNDI-UHFFFAOYSA-N -1 3 396.516 3.178 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1[O-] ZINC000186942626 1431572694 /nfs/dbraw/zinc/57/26/94/1431572694.db2.gz LGGFVIFHYBFUCU-UHFFFAOYSA-N -1 3 375.415 3.443 20 10 GGCDHM CC(C)C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1nc(-c2nc[nH]n2)no1 ZINC000191514462 1432677126 /nfs/dbraw/zinc/67/71/26/1432677126.db2.gz UVTZNAGKVRWJLP-LLVKDONJSA-N -1 3 380.811 3.230 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000192922322 1432908386 /nfs/dbraw/zinc/90/83/86/1432908386.db2.gz KFLWEFFFOPVSBY-UHFFFAOYSA-N -1 3 395.484 3.179 20 10 GGCDHM O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000192986647 1432917389 /nfs/dbraw/zinc/91/73/89/1432917389.db2.gz MPEZRHICTNPNTP-UHFFFAOYSA-N -1 3 380.375 3.419 20 10 GGCDHM O=C(Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1)N1CCc2ccccc21 ZINC000192998750 1432919506 /nfs/dbraw/zinc/91/95/06/1432919506.db2.gz NJVSHWHFUAZZCZ-UHFFFAOYSA-N -1 3 388.423 3.482 20 10 GGCDHM O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(O)c1[O-] ZINC000193104883 1432936560 /nfs/dbraw/zinc/93/65/60/1432936560.db2.gz DZUVBVUHHSPREF-LBPRGKRZSA-N -1 3 378.375 3.098 20 10 GGCDHM CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193140503 1432943022 /nfs/dbraw/zinc/94/30/22/1432943022.db2.gz PESWGFKKLOUNOQ-UHFFFAOYSA-N -1 3 388.489 3.316 20 10 GGCDHM CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1[O-] ZINC000193153813 1432946138 /nfs/dbraw/zinc/94/61/38/1432946138.db2.gz JRIYDKFVLBKKPK-SJPCQFCGSA-N -1 3 380.444 3.006 20 10 GGCDHM Cc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c([O-])c1O ZINC000271260721 1434811643 /nfs/dbraw/zinc/81/16/43/1434811643.db2.gz JLPWVIOXXKXJMK-UHFFFAOYSA-N -1 3 377.462 3.372 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cccnc2OCC(F)(F)F)c1 ZINC000273418160 1434987475 /nfs/dbraw/zinc/98/74/75/1434987475.db2.gz RKZDZBYKGKMQGW-NSHDSACASA-N -1 3 384.354 3.366 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000273421891 1434987827 /nfs/dbraw/zinc/98/78/27/1434987827.db2.gz SFHAKJXHKSFIMI-SNVBAGLBSA-N -1 3 394.353 3.091 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OC)c(N3CCOC3=O)c2)c1 ZINC000273532189 1434994903 /nfs/dbraw/zinc/99/49/03/1434994903.db2.gz WRNUPOGQCNTQKC-LBPRGKRZSA-N -1 3 386.404 3.317 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nccn2CCc2ccccc2)c1 ZINC000273569597 1434997277 /nfs/dbraw/zinc/99/72/77/1434997277.db2.gz KKLBYHXXUXVKKJ-MRXNPFEDSA-N -1 3 379.460 3.469 20 10 GGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)ccc1O ZINC000274312172 1435060444 /nfs/dbraw/zinc/06/04/44/1435060444.db2.gz GBDMGTVVNJWSPD-CYBMUJFWSA-N -1 3 381.425 3.056 20 10 GGCDHM COc1c([O-])c(CNc2ccc(Cc3nnc4n3CCC4)cc2)ccc1[N+](=O)[O-] ZINC000278425810 1435389952 /nfs/dbraw/zinc/38/99/52/1435389952.db2.gz SHCSIKKZVZTOTA-UHFFFAOYSA-N -1 3 395.419 3.050 20 10 GGCDHM COc1c([O-])c(CNc2ccc(C)c(-c3nnnn3C3CC3)c2)ccc1[N+](=O)[O-] ZINC000278523718 1435397093 /nfs/dbraw/zinc/39/70/93/1435397093.db2.gz SRBACJFWRBXBRD-UHFFFAOYSA-N -1 3 396.407 3.218 20 10 GGCDHM COc1c([O-])c(CNc2ccccc2N2CCC(CO)CC2)ccc1[N+](=O)[O-] ZINC000278534939 1435398117 /nfs/dbraw/zinc/39/81/17/1435398117.db2.gz VVAYQEPORHCQKM-UHFFFAOYSA-N -1 3 387.436 3.130 20 10 GGCDHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)cc1 ZINC000278959738 1435445777 /nfs/dbraw/zinc/44/57/77/1435445777.db2.gz NRLXIDZHNXVIIT-HOCLYGCPSA-N -1 3 388.489 3.090 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccncc2OCC(F)(F)F)c1 ZINC000281458622 1435809781 /nfs/dbraw/zinc/80/97/81/1435809781.db2.gz DSIHEGSTVCVVCT-NSHDSACASA-N -1 3 384.354 3.366 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000283779564 1435921917 /nfs/dbraw/zinc/92/19/17/1435921917.db2.gz NJWGRZSNQPQZKV-UHFFFAOYSA-N -1 3 397.349 3.120 20 10 GGCDHM Cc1ccc(F)c(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826289782 947842802 /nfs/dbraw/zinc/84/28/02/947842802.db2.gz NAHSQRIAWZJIQO-UHFFFAOYSA-N -1 3 377.836 3.281 20 10 GGCDHM Cc1ccc(F)c(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826289782 947842809 /nfs/dbraw/zinc/84/28/09/947842809.db2.gz NAHSQRIAWZJIQO-UHFFFAOYSA-N -1 3 377.836 3.281 20 10 GGCDHM CC(C)(C)c1ncc(C=CC(=O)N2CCc3c2cccc3-c2nnn[n-]2)s1 ZINC001573885824 950840974 /nfs/dbraw/zinc/84/09/74/950840974.db2.gz VEXWYRIXLQNVGF-FPLPWBNLSA-N -1 3 380.477 3.223 20 10 GGCDHM CC(C)(C)c1ncc(C=CC(=O)N2CCc3c2cccc3-c2nn[n-]n2)s1 ZINC001573885824 950840996 /nfs/dbraw/zinc/84/09/96/950840996.db2.gz VEXWYRIXLQNVGF-FPLPWBNLSA-N -1 3 380.477 3.223 20 10 GGCDHM COc1cc(Br)cc(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)c1[O-] ZINC000844940711 979403943 /nfs/dbraw/zinc/40/39/43/979403943.db2.gz XXJVCHZAJGFOOB-SFHVURJKSA-N -1 3 394.265 3.295 20 10 GGCDHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1ccc(N(C)C)cc1)CC2 ZINC000846261930 979431503 /nfs/dbraw/zinc/43/15/03/979431503.db2.gz SPAZBQQKMACOMR-LJQANCHMSA-N -1 3 384.476 3.344 20 10 GGCDHM O=C([O-])CCN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000901680789 980444316 /nfs/dbraw/zinc/44/43/16/980444316.db2.gz GHCPWSSEDGIBCS-QGZVFWFLSA-N -1 3 391.468 3.041 20 10 GGCDHM CC(C)N1CCN(c2cccc(NC(=O)c3cccc(CC(=O)[O-])c3)c2)CC1 ZINC000911553453 982495611 /nfs/dbraw/zinc/49/56/11/982495611.db2.gz YPMQJDHWIXFWQM-UHFFFAOYSA-N -1 3 381.476 3.096 20 10 GGCDHM CCN(C)c1ccc(CN2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])cc1 ZINC001596194918 983578205 /nfs/dbraw/zinc/57/82/05/983578205.db2.gz XNEQFWDHPLKIET-GOSISDBHSA-N -1 3 391.512 3.039 20 10 GGCDHM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Br)c(O)c1 ZINC001597101531 986718517 /nfs/dbraw/zinc/71/85/17/986718517.db2.gz XOJVRSVMPZRLOH-INIZCTEOSA-N -1 3 380.238 3.469 20 10 GGCDHM CCOc1ccc(O)c(CN[C@@H](C(=O)[O-])c2ccccc2Br)c1 ZINC001597130208 986844911 /nfs/dbraw/zinc/84/49/11/986844911.db2.gz MLTWHTOJRHXHDD-MRXNPFEDSA-N -1 3 380.238 3.469 20 10 GGCDHM CCOc1ccc(O)c(CN[C@H](C(=O)[O-])c2ccccc2Br)c1 ZINC001597130207 986845566 /nfs/dbraw/zinc/84/55/66/986845566.db2.gz MLTWHTOJRHXHDD-INIZCTEOSA-N -1 3 380.238 3.469 20 10 GGCDHM CN(C)c1ccc(/C=C/CN[C@@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)cc1 ZINC001598314415 991296876 /nfs/dbraw/zinc/29/68/76/991296876.db2.gz RQPYKKKUHIZVCO-WUUFJKRQSA-N -1 3 379.460 3.007 20 10 GGCDHM COc1ccc(N2CC[C@H](NCc3oc(Br)cc3C(=O)[O-])C2)cc1 ZINC001599585611 993609320 /nfs/dbraw/zinc/60/93/20/993609320.db2.gz GRMCCKRATJWOPZ-NSHDSACASA-N -1 3 395.253 3.117 20 10 GGCDHM C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1OCC(=O)[O-] ZINC001593204371 994200776 /nfs/dbraw/zinc/20/07/76/994200776.db2.gz QMHOTCGFNSMKMF-DLBZAZTESA-N -1 3 384.476 3.398 20 10 GGCDHM C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245686 994438133 /nfs/dbraw/zinc/43/81/33/994438133.db2.gz AMBYDZPRHMIZDY-RISCZKNCSA-N -1 3 399.365 3.200 20 10 GGCDHM C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246429 994451300 /nfs/dbraw/zinc/45/13/00/994451300.db2.gz LGNMTOASAOFHHX-QLJPJBMISA-N -1 3 380.238 3.237 20 10 GGCDHM C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593250852 994489424 /nfs/dbraw/zinc/48/94/24/994489424.db2.gz AMKDWXQZWDBMBM-CQSZACIVSA-N -1 3 399.443 3.218 20 10 GGCDHM C[C@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593271705 994607138 /nfs/dbraw/zinc/60/71/38/994607138.db2.gz LPCCECRUFNFUAR-NSHDSACASA-N -1 3 396.365 3.190 20 10 GGCDHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)c(O)c(C(C)(C)C)c1 ZINC001599414707 997485318 /nfs/dbraw/zinc/48/53/18/997485318.db2.gz NLFXKSIELUTGQU-GOSISDBHSA-N -1 3 389.448 3.328 20 10 GGCDHM COC(=O)c1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cc(C(=O)[O-])c1 ZINC001598929118 997709086 /nfs/dbraw/zinc/70/90/86/997709086.db2.gz DNPHNNFTAROAQN-UHFFFAOYSA-N -1 3 382.460 3.402 20 10 GGCDHM COc1cc(Br)cc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC001599346145 998009088 /nfs/dbraw/zinc/00/90/88/998009088.db2.gz GFRBTQBGUQTYGZ-OAHLLOKOSA-N -1 3 380.238 3.421 20 10 GGCDHM COc1cc(Br)cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC001599346145 998009102 /nfs/dbraw/zinc/00/91/02/998009102.db2.gz GFRBTQBGUQTYGZ-OAHLLOKOSA-N -1 3 380.238 3.421 20 10 GGCDHM O=S(=O)(c1ccccc1)N1CCN(Cc2ccc3ccccc3c2[O-])CC1 ZINC000045392213 205095234 /nfs/dbraw/zinc/09/52/34/205095234.db2.gz IWPZDSJPEQRQCK-UHFFFAOYSA-N -1 3 382.485 3.052 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1C ZINC000055668418 564628150 /nfs/dbraw/zinc/62/81/50/564628150.db2.gz BIILHHJWUZYUAK-UHFFFAOYSA-N -1 3 386.470 3.005 20 10 GGCDHM COCCCNC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000092362001 564877435 /nfs/dbraw/zinc/87/74/35/564877435.db2.gz VDVDPNMOMZHVKG-UHFFFAOYSA-N -1 3 375.296 3.064 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ncn(C(C)(C)C)n1 ZINC000292305305 565109885 /nfs/dbraw/zinc/10/98/85/565109885.db2.gz ZAFMCFLHEVOJFI-UHFFFAOYSA-N -1 3 381.274 3.164 20 10 GGCDHM CS(=O)(=O)N1CCc2c1cccc2NCc1cc(Br)ccc1[O-] ZINC000184230414 565121487 /nfs/dbraw/zinc/12/14/87/565121487.db2.gz ATMLKVFKBBVQKX-UHFFFAOYSA-N -1 3 397.294 3.089 20 10 GGCDHM Cc1cc(CNCc2cc(Br)ccc2[O-])nc(N2CCCC2)n1 ZINC000292759176 565133268 /nfs/dbraw/zinc/13/32/68/565133268.db2.gz JGOOEFZWSFXKOB-UHFFFAOYSA-N -1 3 377.286 3.143 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1snnc1C ZINC000293244402 565158255 /nfs/dbraw/zinc/15/82/55/565158255.db2.gz FJQHVKQXLMNDCK-UHFFFAOYSA-N -1 3 385.287 3.046 20 10 GGCDHM C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186082534 565238086 /nfs/dbraw/zinc/23/80/86/565238086.db2.gz OARXYDFCKJUCDY-ZWNOBZJWSA-N -1 3 383.279 3.279 20 10 GGCDHM Cc1cc(N2CC[C@@H](N[C@H](C)c3ccc(Cl)c(Cl)c3[O-])C2=O)n(C)n1 ZINC000186083723 565238282 /nfs/dbraw/zinc/23/82/82/565238282.db2.gz VCODXTAQFUWDHU-ZWNOBZJWSA-N -1 3 383.279 3.197 20 10 GGCDHM Cc1cc(Br)cc(CN[C@H](c2nccn2C)C(C)(C)CO)c1[O-] ZINC000295015589 565240652 /nfs/dbraw/zinc/24/06/52/565240652.db2.gz JZYDCYSOFSZNOE-OAHLLOKOSA-N -1 3 382.302 3.046 20 10 GGCDHM C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(Br)ccc1[O-] ZINC000186262150 565251036 /nfs/dbraw/zinc/25/10/36/565251036.db2.gz PVZSZXOEAGAAOE-LBPRGKRZSA-N -1 3 390.281 3.264 20 10 GGCDHM COC[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000271731536 565265764 /nfs/dbraw/zinc/26/57/64/565265764.db2.gz NCLOGCXLLQIOKL-VIFPVBQESA-N -1 3 379.092 3.386 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000187018581 565302575 /nfs/dbraw/zinc/30/25/75/565302575.db2.gz IUDQRCNIRFVLHO-HNNXBMFYSA-N -1 3 378.222 3.074 20 10 GGCDHM COCCOc1ncccc1CN[C@H](C)c1cc(Br)ccc1[O-] ZINC000273431190 565320093 /nfs/dbraw/zinc/32/00/93/565320093.db2.gz VSYWTBHTZBXMDY-GFCCVEGCSA-N -1 3 381.270 3.426 20 10 GGCDHM COc1cc(Br)cc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000374256908 565328141 /nfs/dbraw/zinc/32/81/41/565328141.db2.gz BLKRZKPUROVBBF-CQSZACIVSA-N -1 3 396.285 3.077 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1cnccc1OC ZINC000297931629 565392826 /nfs/dbraw/zinc/39/28/26/565392826.db2.gz JOLQWEUOKHJQJF-UHFFFAOYSA-N -1 3 394.269 3.290 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000188520573 565406715 /nfs/dbraw/zinc/40/67/15/565406715.db2.gz JWXVRDCFULOANZ-IUODEOHRSA-N -1 3 385.302 3.237 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000377047823 565464284 /nfs/dbraw/zinc/46/42/84/565464284.db2.gz QKMZRNJYPQTGKB-OAHLLOKOSA-N -1 3 396.212 3.213 20 10 GGCDHM Cc1csc([C@H](C)CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000277504073 565502149 /nfs/dbraw/zinc/50/21/49/565502149.db2.gz VTDNYBSESZHJCO-SNVBAGLBSA-N -1 3 379.869 3.378 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])c1ncc(C(N)=O)cc1Cl ZINC000301872302 565515433 /nfs/dbraw/zinc/51/54/33/565515433.db2.gz KSARCQQXJLYQHB-UHFFFAOYSA-N -1 3 384.661 3.329 20 10 GGCDHM CNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])c1 ZINC000278206749 565545357 /nfs/dbraw/zinc/54/53/57/565545357.db2.gz HEPXJUHCZIZWJK-JTQLQIEISA-N -1 3 389.304 3.458 20 10 GGCDHM COc1c([O-])c(CN(C)Cc2cc(Br)cn2C)ccc1[N+](=O)[O-] ZINC000278846936 565580969 /nfs/dbraw/zinc/58/09/69/565580969.db2.gz KSIHOVKHLICWDD-UHFFFAOYSA-N -1 3 384.230 3.042 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC(C)(C)C[C@@H](C)O ZINC000175567058 565709556 /nfs/dbraw/zinc/70/95/56/565709556.db2.gz LLIUKXUPLZAETD-GFCCVEGCSA-N -1 3 387.318 3.483 20 10 GGCDHM Cc1cc(N2CC[C@H](N[C@H](C)c3cc(Cl)c(Cl)cc3[O-])C2=O)n(C)n1 ZINC000193010717 565724976 /nfs/dbraw/zinc/72/49/76/565724976.db2.gz LVKZIUFXBUJCSL-YGRLFVJLSA-N -1 3 383.279 3.197 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCCCN1CCOCC1 ZINC000178720720 565934221 /nfs/dbraw/zinc/93/42/21/565934221.db2.gz JUABWMUXYKQLMS-UHFFFAOYSA-N -1 3 399.329 3.006 20 10 GGCDHM O=S(=O)(NC1CCN(Cc2cc(Cl)ccc2[O-])CC1)c1cccs1 ZINC000179872296 566014842 /nfs/dbraw/zinc/01/48/42/566014842.db2.gz BJPZWVJSESNSMJ-UHFFFAOYSA-N -1 3 386.926 3.050 20 10 GGCDHM CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cccc(Cl)c1[O-] ZINC000181189938 566122732 /nfs/dbraw/zinc/12/27/32/566122732.db2.gz MCBVPCUBJPENDA-UHFFFAOYSA-N -1 3 382.913 3.412 20 10 GGCDHM O=C([N-]C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1)C(F)(F)F ZINC000291451399 566220779 /nfs/dbraw/zinc/22/07/79/566220779.db2.gz CNEIGMOLJHCARQ-JTQLQIEISA-N -1 3 395.219 3.045 20 10 GGCDHM O=C([N-]C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1)C(F)(F)F ZINC000291451399 566220784 /nfs/dbraw/zinc/22/07/84/566220784.db2.gz CNEIGMOLJHCARQ-JTQLQIEISA-N -1 3 395.219 3.045 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC000368152503 566231394 /nfs/dbraw/zinc/23/13/94/566231394.db2.gz RWTAWTBPWULNTQ-CYBMUJFWSA-N -1 3 392.297 3.271 20 10 GGCDHM Cc1cc(C(=O)N(C)CCCOC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227059 598950678 /nfs/dbraw/zinc/95/06/78/598950678.db2.gz HRXLIVJEZMDAPQ-UHFFFAOYSA-N -1 3 396.495 3.161 20 10 GGCDHM CC1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)CC1 ZINC000736278556 598503134 /nfs/dbraw/zinc/50/31/34/598503134.db2.gz GZVMGLVRNARHQK-UHFFFAOYSA-N -1 3 394.439 3.018 20 10 GGCDHM CC1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)CC1 ZINC000736278556 598503135 /nfs/dbraw/zinc/50/31/35/598503135.db2.gz GZVMGLVRNARHQK-UHFFFAOYSA-N -1 3 394.439 3.018 20 10 GGCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)SC(=S)N1CCc1cccs1 ZINC000738288719 598530675 /nfs/dbraw/zinc/53/06/75/598530675.db2.gz DXOCIYBVZHBYIE-GXDHUFHOSA-N -1 3 399.526 3.372 20 10 GGCDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)SC(=S)N1CCc1cccs1 ZINC000738288719 598530677 /nfs/dbraw/zinc/53/06/77/598530677.db2.gz DXOCIYBVZHBYIE-GXDHUFHOSA-N -1 3 399.526 3.372 20 10 GGCDHM Cc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233901 598609707 /nfs/dbraw/zinc/60/97/07/598609707.db2.gz ILVWNBLJWDWWDS-OKILXGFUSA-N -1 3 378.480 3.392 20 10 GGCDHM Cc1csc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000737453621 598611118 /nfs/dbraw/zinc/61/11/18/598611118.db2.gz XQUJGYBFMILBLE-UHFFFAOYSA-N -1 3 379.449 3.291 20 10 GGCDHM Cc1ccc(CN(C)C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)o1 ZINC000737342110 598611184 /nfs/dbraw/zinc/61/11/84/598611184.db2.gz OTHDISJEUJAJHQ-UHFFFAOYSA-N -1 3 390.447 3.448 20 10 GGCDHM Cc1cc(C(=O)NCc2ccoc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737557945 598612646 /nfs/dbraw/zinc/61/26/46/598612646.db2.gz XXHYYJQFJUEWRD-UHFFFAOYSA-N -1 3 376.420 3.106 20 10 GGCDHM Cc1cc(C(=O)OCCOC(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737242453 598621684 /nfs/dbraw/zinc/62/16/84/598621684.db2.gz OPSRXPCYYVYQSQ-UHFFFAOYSA-N -1 3 383.452 3.246 20 10 GGCDHM S=C(NNc1cccc2cnccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738401486 598646794 /nfs/dbraw/zinc/64/67/94/598646794.db2.gz QKRTVDUZLWZQIY-UHFFFAOYSA-N -1 3 396.867 3.382 20 10 GGCDHM S=C(NNc1cccc2cnccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738401486 598646796 /nfs/dbraw/zinc/64/67/96/598646796.db2.gz QKRTVDUZLWZQIY-UHFFFAOYSA-N -1 3 396.867 3.382 20 10 GGCDHM CCN1CCCN(CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)CC1 ZINC000737115502 600714044 /nfs/dbraw/zinc/71/40/44/600714044.db2.gz LJAVZRDXKALDLP-UHFFFAOYSA-N -1 3 383.492 3.003 20 10 GGCDHM CC(C)N1CCN(c2cccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)c2)CC1 ZINC000833500240 604470858 /nfs/dbraw/zinc/47/08/58/604470858.db2.gz VSLINHCHLSKFAB-UHFFFAOYSA-N -1 3 385.439 3.307 20 10 GGCDHM COc1cc(O)c(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1OC ZINC000833729367 604544579 /nfs/dbraw/zinc/54/45/79/604544579.db2.gz MHUYLEILDAEDAY-UHFFFAOYSA-N -1 3 381.375 3.165 20 10 GGCDHM CN(Cc1ccc(N2CCOCC2)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694952 604676099 /nfs/dbraw/zinc/67/60/99/604676099.db2.gz FUUQOMZHVJVZNJ-LJQANCHMSA-N -1 3 394.393 3.198 20 10 GGCDHM Cc1cc(CCNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)n1-c1ccccc1 ZINC000822199841 606058066 /nfs/dbraw/zinc/05/80/66/606058066.db2.gz JOKVVYWESBTEAR-UHFFFAOYSA-N -1 3 386.459 3.247 20 10 GGCDHM Cc1cc(CCNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)n1-c1ccccc1 ZINC000822199841 606058070 /nfs/dbraw/zinc/05/80/70/606058070.db2.gz JOKVVYWESBTEAR-UHFFFAOYSA-N -1 3 386.459 3.247 20 10 GGCDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1C1CCCCC1 ZINC000823505278 606335113 /nfs/dbraw/zinc/33/51/13/606335113.db2.gz ZMGJGWZLOQEVNC-GHXNOFRVSA-N -1 3 377.520 3.462 20 10 GGCDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)SC(=S)N1C1CCCCC1 ZINC000823505278 606335115 /nfs/dbraw/zinc/33/51/15/606335115.db2.gz ZMGJGWZLOQEVNC-GHXNOFRVSA-N -1 3 377.520 3.462 20 10 GGCDHM CN(C)c1ccc(CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CC2)cc1 ZINC000821589329 606669372 /nfs/dbraw/zinc/66/93/72/606669372.db2.gz JKDHHPFOBQJYNH-UHFFFAOYSA-N -1 3 398.417 3.016 20 10 GGCDHM CN(C)c1ccc(CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CC2)cc1 ZINC000821589329 606669373 /nfs/dbraw/zinc/66/93/73/606669373.db2.gz JKDHHPFOBQJYNH-UHFFFAOYSA-N -1 3 398.417 3.016 20 10 GGCDHM Cn1c(-c2ccccc2)cnc1SC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822591031 606847689 /nfs/dbraw/zinc/84/76/89/606847689.db2.gz OXSQAKCNTNBJSO-QGZVFWFLSA-N -1 3 378.461 3.093 20 10 GGCDHM Cn1c(-c2ccccc2)cnc1SC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822591031 606847690 /nfs/dbraw/zinc/84/76/90/606847690.db2.gz OXSQAKCNTNBJSO-QGZVFWFLSA-N -1 3 378.461 3.093 20 10 GGCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822205881 607194916 /nfs/dbraw/zinc/19/49/16/607194916.db2.gz LYXBSFTWXYMUHN-UHFFFAOYSA-N -1 3 385.859 3.216 20 10 GGCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822205881 607194917 /nfs/dbraw/zinc/19/49/17/607194917.db2.gz LYXBSFTWXYMUHN-UHFFFAOYSA-N -1 3 385.859 3.216 20 10 GGCDHM CC(C)(C)c1ncc(C=CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)s1 ZINC000824141735 607949902 /nfs/dbraw/zinc/94/99/02/607949902.db2.gz MRCXPJXGIZZWGS-VOTSOKGWSA-N -1 3 380.477 3.223 20 10 GGCDHM CC(C)(C)c1ncc(C=CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)s1 ZINC000824141735 607949903 /nfs/dbraw/zinc/94/99/03/607949903.db2.gz MRCXPJXGIZZWGS-VOTSOKGWSA-N -1 3 380.477 3.223 20 10 GGCDHM CC[C@H](CSC)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825128438 608568104 /nfs/dbraw/zinc/56/81/04/608568104.db2.gz UGOBVMKRXHFLQA-OAHLLOKOSA-N -1 3 384.509 3.146 20 10 GGCDHM O=S1(=O)CC[C@@H](N(Cc2c3c(ccc2[O-])oc2c3CCCC2)C2CC2)C1 ZINC000054446254 1406738851 /nfs/dbraw/zinc/73/88/51/1406738851.db2.gz QHLMZLLZGKEIKM-CQSZACIVSA-N -1 3 375.490 3.169 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000055639053 1407036321 /nfs/dbraw/zinc/03/63/21/1407036321.db2.gz IDLWFJOWWMFGBV-UHFFFAOYSA-N -1 3 388.898 3.211 20 10 GGCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000023398002 1399556730 /nfs/dbraw/zinc/55/67/30/1399556730.db2.gz FZNYYKAZNGRDAC-UHFFFAOYSA-N -1 3 395.289 3.166 20 10 GGCDHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000023398051 1399557001 /nfs/dbraw/zinc/55/70/01/1399557001.db2.gz VJBJCLZQVUABHV-CYBMUJFWSA-N -1 3 382.507 3.372 20 10 GGCDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)c(Cl)c1 ZINC000056053447 1407183085 /nfs/dbraw/zinc/18/30/85/1407183085.db2.gz KWJHFLHRYNBAKU-UHFFFAOYSA-N -1 3 395.868 3.327 20 10 GGCDHM Cc1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c(C)n1-c1ccc(F)cc1 ZINC000061621473 1408153370 /nfs/dbraw/zinc/15/33/70/1408153370.db2.gz JRFLSZGFNJXLJJ-UHFFFAOYSA-N -1 3 395.434 3.099 20 10 GGCDHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(Cl)c1 ZINC000064056958 1408476588 /nfs/dbraw/zinc/47/65/88/1408476588.db2.gz NKXKLWHKDVDWDD-UHFFFAOYSA-N -1 3 396.896 3.125 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000067179473 1409033997 /nfs/dbraw/zinc/03/39/97/1409033997.db2.gz DMDHJEURZCNFTD-MRXNPFEDSA-N -1 3 388.489 3.174 20 10 GGCDHM Cc1ccc(CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C2CC2)cc1C ZINC000091730955 1410079207 /nfs/dbraw/zinc/07/92/07/1410079207.db2.gz VTSRRKHSZXNYJQ-UHFFFAOYSA-N -1 3 388.489 3.185 20 10 GGCDHM Cc1noc(C)c1CN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000091890098 1410090855 /nfs/dbraw/zinc/09/08/55/1410090855.db2.gz HVPYDZAPORSGRF-UHFFFAOYSA-N -1 3 380.286 3.077 20 10 GGCDHM COc1ccc(C(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)c(OC)c1 ZINC000092168052 1410115783 /nfs/dbraw/zinc/11/57/83/1410115783.db2.gz APHNYNPLXZFADG-UHFFFAOYSA-N -1 3 390.867 3.021 20 10 GGCDHM [O-]c1ccc(Br)cc1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000093842573 1410273660 /nfs/dbraw/zinc/27/36/60/1410273660.db2.gz ZXEOSOBMQUILAL-UHFFFAOYSA-N -1 3 385.265 3.429 20 10 GGCDHM CCc1nsc(N2CCCN(Cc3cccc(Br)c3[O-])CC2)n1 ZINC000093871573 1410278636 /nfs/dbraw/zinc/27/86/36/1410278636.db2.gz AANOKDXOZHPNEA-UHFFFAOYSA-N -1 3 397.342 3.281 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000094018708 1410293986 /nfs/dbraw/zinc/29/39/86/1410293986.db2.gz PYASWCYOCXERHM-MRXNPFEDSA-N -1 3 394.880 3.394 20 10 GGCDHM CCC1CCC(N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C2CC2)CC1 ZINC000094054699 1410298697 /nfs/dbraw/zinc/29/86/97/1410298697.db2.gz SKPVOQPHEYBVOO-UHFFFAOYSA-N -1 3 380.510 3.337 20 10 GGCDHM CN(c1ccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1)C1CCCCC1 ZINC000097552251 1410377065 /nfs/dbraw/zinc/37/70/65/1410377065.db2.gz HXIMRRSPRCVINP-UHFFFAOYSA-N -1 3 391.471 3.269 20 10 GGCDHM COc1ccc2c(c1)C(=O)N(C)[C@H](c1cc(O)cc(Br)c1[O-])N2 ZINC000102417628 1410626555 /nfs/dbraw/zinc/62/65/55/1410626555.db2.gz IZNZJTJXULQIAD-OAHLLOKOSA-N -1 3 379.210 3.065 20 10 GGCDHM CCc1ccccc1NC(=O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000109779934 1411809416 /nfs/dbraw/zinc/80/94/16/1411809416.db2.gz YLFOLXGTYYRLHW-UHFFFAOYSA-N -1 3 390.867 3.222 20 10 GGCDHM COC(=O)CN(CC(=O)Nc1c(C)cccc1C)Cc1cc(Cl)ccc1[O-] ZINC000109779701 1411809495 /nfs/dbraw/zinc/80/94/95/1411809495.db2.gz CQFPLGLOHUSYNH-UHFFFAOYSA-N -1 3 390.867 3.276 20 10 GGCDHM COC(=O)CN(Cc1nc(-c2ccsc2)no1)Cc1cc(Cl)ccc1[O-] ZINC000109779778 1411809550 /nfs/dbraw/zinc/80/95/50/1411809550.db2.gz QSHAOIUNQRVBPB-UHFFFAOYSA-N -1 3 393.852 3.332 20 10 GGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1c(F)cccc1F ZINC000111238382 1411896967 /nfs/dbraw/zinc/89/69/67/1411896967.db2.gz LKBQFDYVOBRXCV-MRXNPFEDSA-N -1 3 385.794 3.032 20 10 GGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc2ccccc2[nH]c1=O ZINC000111238240 1411897013 /nfs/dbraw/zinc/89/70/13/1411897013.db2.gz APAFONXNHMZQAQ-UHFFFAOYSA-N -1 3 386.835 3.062 20 10 GGCDHM COC(=O)CN(CC(=O)Nc1cc(C)ccc1C)Cc1cc(Cl)ccc1[O-] ZINC000111238357 1411897058 /nfs/dbraw/zinc/89/70/58/1411897058.db2.gz ALGMIRIMFQACNE-UHFFFAOYSA-N -1 3 390.867 3.276 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1[O-] ZINC000177247491 1428650513 /nfs/dbraw/zinc/65/05/13/1428650513.db2.gz XZVKXFPUSGJSFY-UHFFFAOYSA-N -1 3 390.842 3.345 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c1[O-] ZINC000177269223 1428664092 /nfs/dbraw/zinc/66/40/92/1428664092.db2.gz KHVDKAHKUGYALW-UHFFFAOYSA-N -1 3 390.842 3.345 20 10 GGCDHM O=C(CN1CCN(Cc2cc(Cl)ccc2[O-])CC1)Nc1ccccc1Cl ZINC000119559988 1413485727 /nfs/dbraw/zinc/48/57/27/1413485727.db2.gz XAXCFYDVLJWSGM-UHFFFAOYSA-N -1 3 394.302 3.455 20 10 GGCDHM CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1c([O-])cccc1Cl ZINC000120296998 1413772994 /nfs/dbraw/zinc/77/29/94/1413772994.db2.gz UXYKPBBVEWDVRQ-UHFFFAOYSA-N -1 3 383.897 3.350 20 10 GGCDHM Cc1cc(Br)cc(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[O-] ZINC000826256543 1428799934 /nfs/dbraw/zinc/79/99/34/1428799934.db2.gz ORVSPSLMWURWML-LLVKDONJSA-N -1 3 388.269 3.494 20 10 GGCDHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCOCC3)cc2)cc1F ZINC000122013405 1414339655 /nfs/dbraw/zinc/33/96/55/1414339655.db2.gz BCNSAWJXYYBAIG-CQSZACIVSA-N -1 3 396.459 3.149 20 10 GGCDHM COc1ccc(N2CCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CC2)cc1F ZINC000122038322 1414345790 /nfs/dbraw/zinc/34/57/90/1414345790.db2.gz XVWGUFRPRSTRQW-UHFFFAOYSA-N -1 3 398.434 3.277 20 10 GGCDHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000123287141 1414687972 /nfs/dbraw/zinc/68/79/72/1414687972.db2.gz PJHRKOAGGFTDCQ-UHFFFAOYSA-N -1 3 380.400 3.492 20 10 GGCDHM COc1ccc(C(=O)N2CCOCC2)cc1NCc1c([O-])cccc1Cl ZINC000123960538 1414857689 /nfs/dbraw/zinc/85/76/89/1414857689.db2.gz JHHKZPJKEZGHKW-UHFFFAOYSA-N -1 3 376.840 3.139 20 10 GGCDHM CCN(Cc1ccccc1)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000125516216 1415219118 /nfs/dbraw/zinc/21/91/18/1415219118.db2.gz UHOZHWCDKXFVEE-UHFFFAOYSA-N -1 3 382.504 3.449 20 10 GGCDHM COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000126285930 1415404067 /nfs/dbraw/zinc/40/40/67/1415404067.db2.gz VCHUSXVBQANPFA-SNVBAGLBSA-N -1 3 395.253 3.429 20 10 GGCDHM CNc1snc(C)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134261016 1417045806 /nfs/dbraw/zinc/04/58/06/1417045806.db2.gz YTIQQUFXPGDGCF-AWEZNQCLSA-N -1 3 394.928 3.247 20 10 GGCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc([N+](=O)[O-])s1 ZINC000134264284 1417046665 /nfs/dbraw/zinc/04/66/65/1417046665.db2.gz SRKFUURWPDRLAC-CYBMUJFWSA-N -1 3 395.868 3.410 20 10 GGCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1noc2c1CCCC2 ZINC000134266081 1417047308 /nfs/dbraw/zinc/04/73/08/1417047308.db2.gz COISCDKHVVFVDP-HNNXBMFYSA-N -1 3 389.883 3.307 20 10 GGCDHM CN(Cc1cc(Cl)ccc1[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000136964175 1417358339 /nfs/dbraw/zinc/35/83/39/1417358339.db2.gz BBQLRTCIIODIRE-HNNXBMFYSA-N -1 3 383.673 3.467 20 10 GGCDHM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000179827119 1429597835 /nfs/dbraw/zinc/59/78/35/1429597835.db2.gz LBUSLGOUUHTRGI-GOSISDBHSA-N -1 3 388.489 3.358 20 10 GGCDHM COC(=O)CN(Cc1ccc(Br)cn1)Cc1cc(Cl)ccc1[O-] ZINC000172537061 1426077472 /nfs/dbraw/zinc/07/74/72/1426077472.db2.gz ANVBMMKJFAIEGE-UHFFFAOYSA-N -1 3 399.672 3.378 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000172886907 1426240324 /nfs/dbraw/zinc/24/03/24/1426240324.db2.gz PWZNJLPVYJCGNQ-UHFFFAOYSA-N -1 3 386.470 3.005 20 10 GGCDHM COC(=O)CN(CCC(=O)Nc1ccccc1C)Cc1cc(Cl)ccc1[O-] ZINC000173362982 1426535619 /nfs/dbraw/zinc/53/56/19/1426535619.db2.gz LRVDGDFSHKMIQK-UHFFFAOYSA-N -1 3 390.867 3.358 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ncnc4sccc43)CC2)c1[O-] ZINC000175575779 1427820075 /nfs/dbraw/zinc/82/00/75/1427820075.db2.gz AECITNFZLZBBDW-UHFFFAOYSA-N -1 3 386.452 3.061 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)c1[O-] ZINC000175632260 1427838412 /nfs/dbraw/zinc/83/84/12/1427838412.db2.gz HMWUBFOBOHKFJT-UHFFFAOYSA-N -1 3 388.439 3.338 20 10 GGCDHM CC(=O)c1cc(F)cc(CN[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000175812720 1427904744 /nfs/dbraw/zinc/90/47/44/1427904744.db2.gz MGPXIKHFKOEDNW-GOSISDBHSA-N -1 3 398.356 3.243 20 10 GGCDHM O=C1[N-]C(=O)C(=CNc2ccc3c(c2)C(=O)c2ccccc2C3=O)c2ccccc21 ZINC000181264746 1430258725 /nfs/dbraw/zinc/25/87/25/1430258725.db2.gz IXLVZFGEZUBWLI-UDWIEESQSA-N -1 3 394.386 3.185 20 10 GGCDHM O=C([N-]c1ccncc1F)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000181835783 1430369989 /nfs/dbraw/zinc/36/99/89/1430369989.db2.gz PYEBSPBMZHEEEF-UHFFFAOYSA-N -1 3 391.314 3.157 20 10 GGCDHM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000186214817 1431354123 /nfs/dbraw/zinc/35/41/23/1431354123.db2.gz QOUODTVFXKVTDS-HXUWFJFHSA-N -1 3 388.489 3.001 20 10 GGCDHM O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1cccc(O)c1[O-] ZINC000186986923 1431583522 /nfs/dbraw/zinc/58/35/22/1431583522.db2.gz RUMCERYUYLBWSA-UHFFFAOYSA-N -1 3 380.375 3.419 20 10 GGCDHM O=C(NCCc1ccccc1)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000192989364 1432918142 /nfs/dbraw/zinc/91/81/42/1432918142.db2.gz VTOKUFOBRGSVLQ-UHFFFAOYSA-N -1 3 376.412 3.323 20 10 GGCDHM CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193098741 1432935625 /nfs/dbraw/zinc/93/56/25/1432935625.db2.gz TXNIOWSBKBQGPR-QGZVFWFLSA-N -1 3 376.403 3.285 20 10 GGCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c([O-])c1O ZINC000271238395 1434810096 /nfs/dbraw/zinc/81/00/96/1434810096.db2.gz DEFVLCWWANMMTO-UHFFFAOYSA-N -1 3 386.473 3.156 20 10 GGCDHM Cc1ccc(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c([O-])c1O ZINC000272793286 1434931518 /nfs/dbraw/zinc/93/15/18/1434931518.db2.gz XCGZMROMUKORAZ-LBPRGKRZSA-N -1 3 388.851 3.282 20 10 GGCDHM Cc1ccc(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c([O-])c1O ZINC000272793282 1434931523 /nfs/dbraw/zinc/93/15/23/1434931523.db2.gz XCGZMROMUKORAZ-GFCCVEGCSA-N -1 3 388.851 3.282 20 10 GGCDHM COCCOc1cc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])ccc1OC ZINC000273522868 1434994397 /nfs/dbraw/zinc/99/43/97/1434994397.db2.gz UQZDFMHUDNAPPR-ZDUSSCGKSA-N -1 3 375.421 3.386 20 10 GGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c(C)c(C)c1O ZINC000274729107 1435088126 /nfs/dbraw/zinc/08/81/26/1435088126.db2.gz ASBXUETZCVYAIU-UHFFFAOYSA-N -1 3 376.434 3.075 20 10 GGCDHM Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000274925380 1435103851 /nfs/dbraw/zinc/10/38/51/1435103851.db2.gz BVPQCGLRQACQNA-OAHLLOKOSA-N -1 3 383.448 3.080 20 10 GGCDHM Cc1ccc(NC(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1Cl ZINC000274926575 1435103898 /nfs/dbraw/zinc/10/38/98/1435103898.db2.gz CFANWVLPKFIIDR-UHFFFAOYSA-N -1 3 389.839 3.050 20 10 GGCDHM O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000275036824 1435111673 /nfs/dbraw/zinc/11/16/73/1435111673.db2.gz UWBLORPTNWOEJY-UHFFFAOYSA-N -1 3 389.839 3.131 20 10 GGCDHM COc1c([O-])c(CN2CCC(c3noc(C(C)C)n3)CC2)ccc1[N+](=O)[O-] ZINC000278259120 1435374283 /nfs/dbraw/zinc/37/42/83/1435374283.db2.gz QEZMTBYWPAZHKQ-UHFFFAOYSA-N -1 3 376.413 3.195 20 10 GGCDHM COc1c([O-])c(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278314548 1435379124 /nfs/dbraw/zinc/37/91/24/1435379124.db2.gz XELPRHIYBLYVGF-QDXKXIGTSA-N -1 3 378.450 3.239 20 10 GGCDHM COc1c([O-])c(CNc2cccc([C@H](C)N3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000278837945 1435428986 /nfs/dbraw/zinc/42/89/86/1435428986.db2.gz JLNAJYIYIQNSPZ-AWEZNQCLSA-N -1 3 387.436 3.314 20 10 GGCDHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)cc1 ZINC000278959733 1435445686 /nfs/dbraw/zinc/44/56/86/1435445686.db2.gz NRLXIDZHNXVIIT-GDBMZVCRSA-N -1 3 388.489 3.090 20 10 GGCDHM Cc1cc(Br)cc(C[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)c1[O-] ZINC000826256541 1442389803 /nfs/dbraw/zinc/38/98/03/1442389803.db2.gz ORNFTJJDRKZDRL-LLVKDONJSA-N -1 3 388.269 3.494 20 10 GGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821221546 945656702 /nfs/dbraw/zinc/65/67/02/945656702.db2.gz JWQJENJOTTWWGU-HNNXBMFYSA-N -1 3 393.495 3.225 20 10 GGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821221546 945656707 /nfs/dbraw/zinc/65/67/07/945656707.db2.gz JWQJENJOTTWWGU-HNNXBMFYSA-N -1 3 393.495 3.225 20 10 GGCDHM CCOc1cccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000825654204 947278850 /nfs/dbraw/zinc/27/88/50/947278850.db2.gz RKNPXFGONOVXCM-UHFFFAOYSA-N -1 3 389.872 3.232 20 10 GGCDHM CCOc1cccc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000825654204 947278858 /nfs/dbraw/zinc/27/88/58/947278858.db2.gz RKNPXFGONOVXCM-UHFFFAOYSA-N -1 3 389.872 3.232 20 10 GGCDHM S=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccccc1Cl ZINC000826511873 948434027 /nfs/dbraw/zinc/43/40/27/948434027.db2.gz HZCKDMRQMKFPNB-UHFFFAOYSA-N -1 3 380.264 3.487 20 10 GGCDHM S=C(NNc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1ccccc1Cl ZINC000826511873 948434030 /nfs/dbraw/zinc/43/40/30/948434030.db2.gz HZCKDMRQMKFPNB-UHFFFAOYSA-N -1 3 380.264 3.487 20 10 GGCDHM O=C([O-])CC[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CCOCC1 ZINC001595055937 951498653 /nfs/dbraw/zinc/49/86/53/951498653.db2.gz MCGIYORTRSPDJM-UHFFFAOYSA-N -1 3 385.460 3.427 20 10 GGCDHM O=C([O-])CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CCOCC1 ZINC001595055937 951498658 /nfs/dbraw/zinc/49/86/58/951498658.db2.gz MCGIYORTRSPDJM-UHFFFAOYSA-N -1 3 385.460 3.427 20 10 GGCDHM CC(C)c1[nH]c(CNCc2ccc(N3CCOCC3)c(F)c2)cc1C(=O)[O-] ZINC001591918502 976385481 /nfs/dbraw/zinc/38/54/81/976385481.db2.gz TZJMABDSSWBUDG-UHFFFAOYSA-N -1 3 375.444 3.102 20 10 GGCDHM CCN(Cc1ccccc1)c1ccc(CN[C@@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000819162411 978924516 /nfs/dbraw/zinc/92/45/16/978924516.db2.gz ASDCPPIJBPJWSL-OAQYLSRUSA-N -1 3 378.476 3.362 20 10 GGCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001595747257 982413782 /nfs/dbraw/zinc/41/37/82/982413782.db2.gz DLBHARDRBLCEOZ-INIZCTEOSA-N -1 3 384.476 3.397 20 10 GGCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001595747257 982413786 /nfs/dbraw/zinc/41/37/86/982413786.db2.gz DLBHARDRBLCEOZ-INIZCTEOSA-N -1 3 384.476 3.397 20 10 GGCDHM CCN1CCN(c2ccc(CNCc3ccc(C(=O)[O-])cc3F)cc2F)CC1 ZINC001596442453 984136900 /nfs/dbraw/zinc/13/69/00/984136900.db2.gz UXSYHEAFAQBTKZ-UHFFFAOYSA-N -1 3 389.446 3.095 20 10 GGCDHM CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)N(C)C)cc1 ZINC001598313077 991286722 /nfs/dbraw/zinc/28/67/22/991286722.db2.gz BKHHTPDSAYFAQB-GOSISDBHSA-N -1 3 388.443 3.014 20 10 GGCDHM C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246428 994451527 /nfs/dbraw/zinc/45/15/27/994451527.db2.gz LGNMTOASAOFHHX-QFYYESIMSA-N -1 3 380.238 3.237 20 10 GGCDHM C[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246417 994451615 /nfs/dbraw/zinc/45/16/15/994451615.db2.gz LALMVYMPWKHTSQ-QLJPJBMISA-N -1 3 385.338 3.373 20 10 GGCDHM C[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247974 994467715 /nfs/dbraw/zinc/46/77/15/994467715.db2.gz IJAXQXCLLSCWLK-INIZCTEOSA-N -1 3 376.497 3.024 20 10 GGCDHM C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265792 994576200 /nfs/dbraw/zinc/57/62/00/994576200.db2.gz XJZHZPJWIDFYMP-KBPBESRZSA-N -1 3 378.469 3.388 20 10 GGCDHM C[C@@H](Oc1ccccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)[O-] ZINC001593645189 995971471 /nfs/dbraw/zinc/97/14/71/995971471.db2.gz QDRHNOLWWJBUFB-APWZRJJASA-N -1 3 385.460 3.425 20 10 GGCDHM COC1CCN(c2ccc(CN[C@@](C)(CC(=O)[O-])c3cccnc3)cc2)CC1 ZINC001599126834 997867504 /nfs/dbraw/zinc/86/75/04/997867504.db2.gz NINGMOPPOUPXIL-QFIPXVFZSA-N -1 3 383.492 3.177 20 10 GGCDHM O=C([O-])[C@@H](Cc1cncs1)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001608544805 1126237675 /nfs/dbraw/zinc/23/76/75/1126237675.db2.gz CTUGLIXGGFLKAZ-GOSISDBHSA-N -1 3 384.457 3.213 20 10 GGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@H](C)c1cccc(F)c1 ZINC000095465458 208188235 /nfs/dbraw/zinc/18/82/35/208188235.db2.gz PWNAQPDMZQCSBA-GFCCVEGCSA-N -1 3 379.815 3.490 20 10 GGCDHM C[C@H](C[S@@](C)=O)N(C)Cc1cc(Br)cc(Br)c1[O-] ZINC000131038160 564699602 /nfs/dbraw/zinc/69/96/02/564699602.db2.gz AQELRGZKUSFZKO-CVJBHZAOSA-N -1 3 399.148 3.116 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCNC(=O)C(C)(C)C ZINC000137253291 564860522 /nfs/dbraw/zinc/86/05/22/564860522.db2.gz LIANTOOLUXTGHZ-UHFFFAOYSA-N -1 3 385.302 3.056 20 10 GGCDHM CC(C)NS(=O)(=O)Cc1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000113328186 565069170 /nfs/dbraw/zinc/06/91/70/565069170.db2.gz RXLOLUIXVFVBQI-UHFFFAOYSA-N -1 3 382.913 3.163 20 10 GGCDHM CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1c([O-])cccc1Cl ZINC000113328848 565069307 /nfs/dbraw/zinc/06/93/07/565069307.db2.gz SLJQKTGMVFHEFU-UHFFFAOYSA-N -1 3 382.913 3.412 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000266516400 565082411 /nfs/dbraw/zinc/08/24/11/565082411.db2.gz IYXVCVATUJRNJS-NSHDSACASA-N -1 3 378.270 3.031 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cn(C)nc1C1CC1 ZINC000292042497 565095005 /nfs/dbraw/zinc/09/50/05/565095005.db2.gz DSFUEEHTRQKNNY-UHFFFAOYSA-N -1 3 378.270 3.428 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)c1cnn(C)c1 ZINC000266905312 565095353 /nfs/dbraw/zinc/09/53/53/565095353.db2.gz YFLOGGGBKOEIEM-LLVKDONJSA-N -1 3 381.274 3.181 20 10 GGCDHM CC[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000156613961 565097440 /nfs/dbraw/zinc/09/74/40/565097440.db2.gz KFDYIKCTMOZUMB-KBPBESRZSA-N -1 3 383.279 3.279 20 10 GGCDHM Cc1nnsc1CNCc1cc(Br)cc(Br)c1[O-] ZINC000292861158 565138655 /nfs/dbraw/zinc/13/86/55/565138655.db2.gz VIPAUSZFKLSMFT-UHFFFAOYSA-N -1 3 393.104 3.367 20 10 GGCDHM O=S(=O)([N-]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccs1 ZINC000371518003 565197398 /nfs/dbraw/zinc/19/73/98/565197398.db2.gz NZIPPVJVJHMPBQ-UHFFFAOYSA-N -1 3 388.461 3.297 20 10 GGCDHM CC[C@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Br)ccc1[O-] ZINC000274770660 565380596 /nfs/dbraw/zinc/38/05/96/565380596.db2.gz MNYKGTMPOVRUFE-HNNXBMFYSA-N -1 3 393.285 3.193 20 10 GGCDHM CC[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Br)ccc1[O-] ZINC000274770662 565380609 /nfs/dbraw/zinc/38/06/09/565380609.db2.gz MNYKGTMPOVRUFE-OAHLLOKOSA-N -1 3 393.285 3.193 20 10 GGCDHM O=S1(=O)CCCN1c1ccc(CNCc2c([O-])cccc2Cl)cc1F ZINC000274794184 565381733 /nfs/dbraw/zinc/38/17/33/565381733.db2.gz NBNJZESIUJKDGO-UHFFFAOYSA-N -1 3 384.860 3.014 20 10 GGCDHM C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000277169650 565479954 /nfs/dbraw/zinc/47/99/54/565479954.db2.gz RTVDGPCLSSWKIR-SNVBAGLBSA-N -1 3 384.841 3.208 20 10 GGCDHM [O-]c1ccc(Br)cc1CN1CCn2c(Cc3ccccc3)nnc2C1 ZINC000378341256 565522250 /nfs/dbraw/zinc/52/22/50/565522250.db2.gz KKCOZAFLMDXIAL-UHFFFAOYSA-N -1 3 399.292 3.353 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1ccnc(OC)c1 ZINC000173678949 565575619 /nfs/dbraw/zinc/57/56/19/565575619.db2.gz XYIVIMHPAIONRK-UHFFFAOYSA-N -1 3 394.269 3.290 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCCc1c[nH]nc1C ZINC000174038195 565608908 /nfs/dbraw/zinc/60/89/08/565608908.db2.gz CKMQMKQBMBVJLA-UHFFFAOYSA-N -1 3 395.301 3.351 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCc1ccccn1 ZINC000174038494 565609221 /nfs/dbraw/zinc/60/92/21/565609221.db2.gz WCHPTNBIHBMCDT-UHFFFAOYSA-N -1 3 378.270 3.324 20 10 GGCDHM COc1c([O-])c(CN[C@H](C)c2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000279682013 565627230 /nfs/dbraw/zinc/62/72/30/565627230.db2.gz JCHUNWCVOODWGC-SECBINFHSA-N -1 3 382.214 3.317 20 10 GGCDHM COc1cc(Br)cc(CN2CCSC[C@H]2c2cnn(C)c2)c1[O-] ZINC000191737963 565627570 /nfs/dbraw/zinc/62/75/70/565627570.db2.gz ZUHKXYAARBLANI-AWEZNQCLSA-N -1 3 398.326 3.187 20 10 GGCDHM CCN(Cc1cc(Br)ccc1O)C(=O)/N=c1\cc[n-]n1C(C)C ZINC000174577303 565644043 /nfs/dbraw/zinc/64/40/43/565644043.db2.gz FJQAIIZEJIVGIV-XDJHFCHBSA-N -1 3 381.274 3.408 20 10 GGCDHM CCS(=O)(=O)c1ccc(CNCc2cc(Cl)cc(OC)c2[O-])s1 ZINC000280566341 565681709 /nfs/dbraw/zinc/68/17/09/565681709.db2.gz LIZRVFKYWRXBOJ-UHFFFAOYSA-N -1 3 375.899 3.199 20 10 GGCDHM O=C(c1ccc(NCc2cc(Br)ccc2[O-])cc1)N1CCOCC1 ZINC000280637154 565685714 /nfs/dbraw/zinc/68/57/14/565685714.db2.gz HYCQAOSPMYQUCY-UHFFFAOYSA-N -1 3 391.265 3.239 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1ccc(=O)n(CC)c1 ZINC000175459488 565700588 /nfs/dbraw/zinc/70/05/88/565700588.db2.gz SXROWTKOOZGJGE-UHFFFAOYSA-N -1 3 394.269 3.390 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000192998218 565723240 /nfs/dbraw/zinc/72/32/40/565723240.db2.gz PAQFDWRJABMHHI-OAHLLOKOSA-N -1 3 378.222 3.074 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000192998208 565723770 /nfs/dbraw/zinc/72/37/70/565723770.db2.gz PAQFDWRJABMHHI-HNNXBMFYSA-N -1 3 378.222 3.074 20 10 GGCDHM Cc1cc(N2CC[C@@H](N[C@H](C)c3cc(Cl)c(Cl)cc3[O-])C2=O)n(C)n1 ZINC000193010727 565725024 /nfs/dbraw/zinc/72/50/24/565725024.db2.gz LVKZIUFXBUJCSL-QMTHXVAHSA-N -1 3 383.279 3.197 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000282845281 565799617 /nfs/dbraw/zinc/79/96/17/565799617.db2.gz SRWCJAZDRJESHS-LBPRGKRZSA-N -1 3 392.297 3.042 20 10 GGCDHM CC[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1cccc(Cl)c1[O-] ZINC000286858553 565983698 /nfs/dbraw/zinc/98/36/98/565983698.db2.gz ADERXDWZROPUNW-QGZVFWFLSA-N -1 3 383.897 3.053 20 10 GGCDHM CC[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1cccc(Cl)c1[O-] ZINC000286858552 565983878 /nfs/dbraw/zinc/98/38/78/565983878.db2.gz ADERXDWZROPUNW-KRWDZBQOSA-N -1 3 383.897 3.053 20 10 GGCDHM CC[C@@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287265531 566008034 /nfs/dbraw/zinc/00/80/34/566008034.db2.gz AQTCZWUFIULSRU-DOMZBBRYSA-N -1 3 377.794 3.270 20 10 GGCDHM C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(F)c1[O-] ZINC000363858970 566024585 /nfs/dbraw/zinc/02/45/85/566024585.db2.gz RXDBHCUOWJCNNT-BMIGLBTASA-N -1 3 398.276 3.211 20 10 GGCDHM C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(F)c1[O-] ZINC000363858984 566024928 /nfs/dbraw/zinc/02/49/28/566024928.db2.gz RXDBHCUOWJCNNT-MEBBXXQBSA-N -1 3 398.276 3.211 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1cnn(CC)c1 ZINC000288004361 566052178 /nfs/dbraw/zinc/05/21/78/566052178.db2.gz BEUBEIRNMJDLON-UHFFFAOYSA-N -1 3 381.274 3.103 20 10 GGCDHM [O-]c1ccc(Br)cc1CNCc1ccncc1OC[C@H]1CCOC1 ZINC000288570935 566080278 /nfs/dbraw/zinc/08/02/78/566080278.db2.gz ZQLVXDFEJWMVSA-ZDUSSCGKSA-N -1 3 393.281 3.255 20 10 GGCDHM Cc1cc(Br)cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000289786767 566140180 /nfs/dbraw/zinc/14/01/80/566140180.db2.gz RVTNLIRZZVBBSI-AAEUAGOBSA-N -1 3 382.220 3.456 20 10 GGCDHM [O-]c1ccc(F)cc1CN1CCC(O)(c2scnc2Br)CC1 ZINC000366777819 566170268 /nfs/dbraw/zinc/17/02/68/566170268.db2.gz OOMKGJPCAPGCQS-UHFFFAOYSA-N -1 3 387.274 3.234 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000366965634 566179546 /nfs/dbraw/zinc/17/95/46/566179546.db2.gz GXLYCTBGICVGOZ-CQSZACIVSA-N -1 3 392.297 3.357 20 10 GGCDHM CN(C)CCNC(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000527764533 567373193 /nfs/dbraw/zinc/37/31/93/567373193.db2.gz QRTQWBFKLKLYMF-UHFFFAOYSA-N -1 3 392.297 3.058 20 10 GGCDHM CCN(Cc1coc(S(C)(=O)=O)c1)Cc1cc(Br)ccc1[O-] ZINC000528393110 567418765 /nfs/dbraw/zinc/41/87/65/567418765.db2.gz IOJDRQICOGYWCL-UHFFFAOYSA-N -1 3 388.283 3.173 20 10 GGCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737270568 599145977 /nfs/dbraw/zinc/14/59/77/599145977.db2.gz MQLGVKGKHLPATC-UHFFFAOYSA-N -1 3 385.859 3.216 20 10 GGCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737270568 599145978 /nfs/dbraw/zinc/14/59/78/599145978.db2.gz MQLGVKGKHLPATC-UHFFFAOYSA-N -1 3 385.859 3.216 20 10 GGCDHM Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235124 599247655 /nfs/dbraw/zinc/24/76/55/599247655.db2.gz SCILOMRGCXAFII-HDICACEKSA-N -1 3 376.464 3.002 20 10 GGCDHM CCCN(Cc1ccccc1O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000821109542 599264449 /nfs/dbraw/zinc/26/44/49/599264449.db2.gz LUVOYNNDEMNDHG-UHFFFAOYSA-N -1 3 396.451 3.415 20 10 GGCDHM Cc1cc(C(=O)Nc2cc(C3CC3)[nH]n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236737 598619166 /nfs/dbraw/zinc/61/91/66/598619166.db2.gz RKHTZJCKTQYDIB-UHFFFAOYSA-N -1 3 388.435 3.127 20 10 GGCDHM O=C([O-])c1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000740160245 600148834 /nfs/dbraw/zinc/14/88/34/600148834.db2.gz HQDMKYAVDQOCBF-IBGZPJMESA-N -1 3 385.460 3.275 20 10 GGCDHM O=C([O-])c1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000740160245 600148835 /nfs/dbraw/zinc/14/88/35/600148835.db2.gz HQDMKYAVDQOCBF-IBGZPJMESA-N -1 3 385.460 3.275 20 10 GGCDHM COc1ccc(O)c([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC000833733619 605126822 /nfs/dbraw/zinc/12/68/22/605126822.db2.gz LJTYESUZKGGXOG-SNVBAGLBSA-N -1 3 378.450 3.067 20 10 GGCDHM CN(C)c1ccc(CN(C)C(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000833694782 605176788 /nfs/dbraw/zinc/17/67/88/605176788.db2.gz CWLCQNCYALLLDA-NRFANRHFSA-N -1 3 397.519 3.153 20 10 GGCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1c1ccc(F)cc1 ZINC000823504684 606389577 /nfs/dbraw/zinc/38/95/77/606389577.db2.gz STNGTVPHJHAZJS-KPKJPENVSA-N -1 3 389.462 3.473 20 10 GGCDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823254447 606674820 /nfs/dbraw/zinc/67/48/20/606674820.db2.gz VCDMUMJNJNXICA-UHFFFAOYSA-N -1 3 398.417 3.065 20 10 GGCDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823254447 606674821 /nfs/dbraw/zinc/67/48/21/606674821.db2.gz VCDMUMJNJNXICA-UHFFFAOYSA-N -1 3 398.417 3.065 20 10 GGCDHM COc1ccc(N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1Cl ZINC000821828426 606882368 /nfs/dbraw/zinc/88/23/68/606882368.db2.gz VZWKVOLHVIABFY-UHFFFAOYSA-N -1 3 397.826 3.215 20 10 GGCDHM COc1ccc(N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1Cl ZINC000821828426 606882369 /nfs/dbraw/zinc/88/23/69/606882369.db2.gz VZWKVOLHVIABFY-UHFFFAOYSA-N -1 3 397.826 3.215 20 10 GGCDHM CCc1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)o1 ZINC000821481005 607145352 /nfs/dbraw/zinc/14/53/52/607145352.db2.gz HHCXJCJHNZAVLC-NTEUORMPSA-N -1 3 383.458 3.428 20 10 GGCDHM CCc1ccc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)o1 ZINC000821481005 607145353 /nfs/dbraw/zinc/14/53/53/607145353.db2.gz HHCXJCJHNZAVLC-NTEUORMPSA-N -1 3 383.458 3.428 20 10 GGCDHM COc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1O ZINC000826215867 608377575 /nfs/dbraw/zinc/37/75/75/608377575.db2.gz AVGGRNAXEMKXJA-UHFFFAOYSA-N -1 3 384.346 3.019 20 10 GGCDHM COc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1O ZINC000826215867 608377577 /nfs/dbraw/zinc/37/75/77/608377577.db2.gz AVGGRNAXEMKXJA-UHFFFAOYSA-N -1 3 384.346 3.019 20 10 GGCDHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c(C)n1-c1ccccn1 ZINC000826261751 608441435 /nfs/dbraw/zinc/44/14/35/608441435.db2.gz QHVSFXVFAOEECR-UHFFFAOYSA-N -1 3 392.394 3.165 20 10 GGCDHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c(C)n1-c1ccccn1 ZINC000826261751 608441437 /nfs/dbraw/zinc/44/14/37/608441437.db2.gz QHVSFXVFAOEECR-UHFFFAOYSA-N -1 3 392.394 3.165 20 10 GGCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2Br)cc1F ZINC000826209095 609364282 /nfs/dbraw/zinc/36/42/82/609364282.db2.gz MHTLBGRGTWLJHP-UHFFFAOYSA-N -1 3 392.232 3.413 20 10 GGCDHM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2Br)cc1F ZINC000826209095 609364285 /nfs/dbraw/zinc/36/42/85/609364285.db2.gz MHTLBGRGTWLJHP-UHFFFAOYSA-N -1 3 392.232 3.413 20 10 GGCDHM Cc1cc(C(=O)N2CC[C@@H](C)[C@H](F)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257938 609399252 /nfs/dbraw/zinc/39/92/52/609399252.db2.gz UCYZVGWNDXQQOU-KZULUSFZSA-N -1 3 382.443 3.094 20 10 GGCDHM O=S1(=O)CC[C@H](N(Cc2c3c(ccc2[O-])oc2c3CCCC2)C2CC2)C1 ZINC000054446258 1406738451 /nfs/dbraw/zinc/73/84/51/1406738451.db2.gz QHLMZLLZGKEIKM-AWEZNQCLSA-N -1 3 375.490 3.169 20 10 GGCDHM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055138725 1406892205 /nfs/dbraw/zinc/89/22/05/1406892205.db2.gz LJZAAFFRUADKNU-UHFFFAOYSA-N -1 3 392.521 3.052 20 10 GGCDHM CN(Cc1csc2ccccc12)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055257386 1406914644 /nfs/dbraw/zinc/91/46/44/1406914644.db2.gz XZPCFWUWVSAYBK-UHFFFAOYSA-N -1 3 390.486 3.251 20 10 GGCDHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000023398053 1399556777 /nfs/dbraw/zinc/55/67/77/1399556777.db2.gz VJBJCLZQVUABHV-ZDUSSCGKSA-N -1 3 382.507 3.372 20 10 GGCDHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000023397994 1399556792 /nfs/dbraw/zinc/55/67/92/1399556792.db2.gz ZNGRZKIYWOBZGG-UHFFFAOYSA-N -1 3 382.507 3.093 20 10 GGCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000023397959 1399557016 /nfs/dbraw/zinc/55/70/16/1399557016.db2.gz KVNSKZXFKKWFCF-UHFFFAOYSA-N -1 3 376.459 3.012 20 10 GGCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000063849054 1408427571 /nfs/dbraw/zinc/42/75/71/1408427571.db2.gz GQJJWCMOYOYMRX-UHFFFAOYSA-N -1 3 388.898 3.293 20 10 GGCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000063849081 1408427783 /nfs/dbraw/zinc/42/77/83/1408427783.db2.gz PHWYOIHACPLRHA-UHFFFAOYSA-N -1 3 382.507 3.256 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccoc2)C2CCCCC2)c1 ZINC000091744287 1410079162 /nfs/dbraw/zinc/07/91/62/1410079162.db2.gz ZGRCZVCIIHQYAG-UHFFFAOYSA-N -1 3 392.477 3.332 20 10 GGCDHM Cc1cccc([C@@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C ZINC000091735927 1410079380 /nfs/dbraw/zinc/07/93/80/1410079380.db2.gz PQBDWUGFDYMRNQ-SFHVURJKSA-N -1 3 388.489 3.358 20 10 GGCDHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000091923337 1410093014 /nfs/dbraw/zinc/09/30/14/1410093014.db2.gz QXXHMSGSZOEIGP-UHFFFAOYSA-N -1 3 379.504 3.341 20 10 GGCDHM Cc1ccc(C(=O)N2CCN(Cc3cc(Br)ccc3[O-])CC2)s1 ZINC000092379567 1410147540 /nfs/dbraw/zinc/14/75/40/1410147540.db2.gz HSZRMHFZIOMBPW-UHFFFAOYSA-N -1 3 395.322 3.483 20 10 GGCDHM [O-]c1ccc(Br)cc1CN1CCN(Cc2cccc(O)c2)CC1 ZINC000092789460 1410201489 /nfs/dbraw/zinc/20/14/89/1410201489.db2.gz CCVPICHZCRZMTO-UHFFFAOYSA-N -1 3 377.282 3.178 20 10 GGCDHM CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093281280 1410230039 /nfs/dbraw/zinc/23/00/39/1410230039.db2.gz IPFOEMDRZSCHSF-GFCCVEGCSA-N -1 3 383.876 3.328 20 10 GGCDHM C[C@@H](c1cccnc1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093413078 1410243902 /nfs/dbraw/zinc/24/39/02/1410243902.db2.gz DPOKLRCESLFORI-AWEZNQCLSA-N -1 3 376.298 3.429 20 10 GGCDHM [O-]c1ccc(Br)cc1CN1CCN(CC(F)(F)C(F)F)CC1 ZINC000093416408 1410244562 /nfs/dbraw/zinc/24/45/62/1410244562.db2.gz RZAXLBNSGXSTLM-UHFFFAOYSA-N -1 3 385.199 3.173 20 10 GGCDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc(Br)c3[O-])C2)nc1 ZINC000093534486 1410252120 /nfs/dbraw/zinc/25/21/20/1410252120.db2.gz NCXKHIIVCLUICB-GFCCVEGCSA-N -1 3 393.241 3.144 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2CCc2ccccc2)c1 ZINC000094019545 1410293687 /nfs/dbraw/zinc/29/36/87/1410293687.db2.gz XZJIJILZBMAYDO-KRWDZBQOSA-N -1 3 388.489 3.001 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccccc2Cl)c1 ZINC000094031654 1410294900 /nfs/dbraw/zinc/29/49/00/1410294900.db2.gz USUQYOYYGQQWEQ-INIZCTEOSA-N -1 3 394.880 3.394 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2Cc2ccccc2)c1 ZINC000094080662 1410301884 /nfs/dbraw/zinc/30/18/84/1410301884.db2.gz JJZIUOVPWWIHGC-KRWDZBQOSA-N -1 3 388.489 3.001 20 10 GGCDHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094133329 1410307382 /nfs/dbraw/zinc/30/73/82/1410307382.db2.gz IUXICPMSTZWERD-SFHVURJKSA-N -1 3 376.478 3.233 20 10 GGCDHM CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(Cl)c1 ZINC000094160337 1410308677 /nfs/dbraw/zinc/30/86/77/1410308677.db2.gz PRJPTDYFFNMZSB-UHFFFAOYSA-N -1 3 382.869 3.082 20 10 GGCDHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094158774 1410308882 /nfs/dbraw/zinc/30/88/82/1410308882.db2.gz SAKHCPQOOWXRTR-LBPRGKRZSA-N -1 3 396.896 3.120 20 10 GGCDHM COC(=O)CN(Cc1nc(-c2ccccc2)no1)Cc1cc(Cl)ccc1[O-] ZINC000111238339 1411897079 /nfs/dbraw/zinc/89/70/79/1411897079.db2.gz BRCWYUHFIMLQCG-UHFFFAOYSA-N -1 3 387.823 3.271 20 10 GGCDHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000111995432 1412064668 /nfs/dbraw/zinc/06/46/68/1412064668.db2.gz LRRIVCDEZSKSMA-UHFFFAOYSA-N -1 3 376.478 3.113 20 10 GGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1[O-] ZINC000177199312 1428627660 /nfs/dbraw/zinc/62/76/60/1428627660.db2.gz IUGQWTNSNWTNEZ-CQSZACIVSA-N -1 3 390.827 3.238 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCCN(C(=O)c3ccsc3)CC2)c1[O-] ZINC000177262420 1428660096 /nfs/dbraw/zinc/66/00/96/1428660096.db2.gz AQNPQKVQVVROPI-UHFFFAOYSA-N -1 3 376.453 3.144 20 10 GGCDHM Cc1cc(Br)cc(CNCc2ccc(-c3nn[n-]n3)cc2F)c1O ZINC000826256671 1428700273 /nfs/dbraw/zinc/70/02/73/1428700273.db2.gz VDRFFDBKEUXFJT-UHFFFAOYSA-N -1 3 392.232 3.072 20 10 GGCDHM CCc1nsc(N2CCCN(Cc3cc(Cl)cc(C(C)=O)c3[O-])CC2)n1 ZINC000177360361 1428704135 /nfs/dbraw/zinc/70/41/35/1428704135.db2.gz WQABIMRSDWBAGB-UHFFFAOYSA-N -1 3 394.928 3.374 20 10 GGCDHM Cc1cccc(C)c1NC(=O)CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000119414984 1413439693 /nfs/dbraw/zinc/43/96/93/1413439693.db2.gz VNWOQYKIOIYJRE-UHFFFAOYSA-N -1 3 387.911 3.419 20 10 GGCDHM CN(Cc1ccccc1O)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000120293822 1413771189 /nfs/dbraw/zinc/77/11/89/1413771189.db2.gz XIEPBOKOSUSXTN-UHFFFAOYSA-N -1 3 387.233 3.268 20 10 GGCDHM COc1ccc(CCC(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)cc1 ZINC000120383125 1413806580 /nfs/dbraw/zinc/80/65/80/1413806580.db2.gz YAPRMLORJDQTJE-UHFFFAOYSA-N -1 3 388.895 3.331 20 10 GGCDHM CC(C)N1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)c2)CC1 ZINC000121137352 1414020957 /nfs/dbraw/zinc/02/09/57/1414020957.db2.gz IWAHQKMPCLYKQI-UHFFFAOYSA-N -1 3 384.436 3.083 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000121840061 1414274711 /nfs/dbraw/zinc/27/47/11/1414274711.db2.gz YNHFZORFTXHDPN-UHFFFAOYSA-N -1 3 396.534 3.483 20 10 GGCDHM COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000124307028 1414935233 /nfs/dbraw/zinc/93/52/33/1414935233.db2.gz YFUZGEPSJJXGAV-KRWDZBQOSA-N -1 3 399.340 3.497 20 10 GGCDHM COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000126285810 1415402809 /nfs/dbraw/zinc/40/28/09/1415402809.db2.gz VCHUSXVBQANPFA-JTQLQIEISA-N -1 3 395.253 3.429 20 10 GGCDHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000131755135 1416612988 /nfs/dbraw/zinc/61/29/88/1416612988.db2.gz IIAASNSIGFQZOJ-CABCVRRESA-N -1 3 388.489 3.090 20 10 GGCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccncc1Cl ZINC000134263987 1417046522 /nfs/dbraw/zinc/04/65/22/1417046522.db2.gz SVFVPGVPESHUDW-CQSZACIVSA-N -1 3 380.275 3.488 20 10 GGCDHM CCN(Cc1cccc(Cl)c1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000135329496 1417208628 /nfs/dbraw/zinc/20/86/28/1417208628.db2.gz CEVNXOFQHJYYEU-UHFFFAOYSA-N -1 3 382.869 3.079 20 10 GGCDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)sc1Br ZINC000149843242 1417780586 /nfs/dbraw/zinc/78/05/86/1417780586.db2.gz FWPIFXLKUQPTQZ-UHFFFAOYSA-N -1 3 389.340 3.364 20 10 GGCDHM Cc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)n1-c1cccc(Cl)c1 ZINC000179113398 1429266761 /nfs/dbraw/zinc/26/67/61/1429266761.db2.gz XAMBBQOFQDETQC-UHFFFAOYSA-N -1 3 382.851 3.029 20 10 GGCDHM Cc1ccc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c([O-])c1O ZINC000179433431 1429374456 /nfs/dbraw/zinc/37/44/56/1429374456.db2.gz POSWKZCZQBZDQH-UHFFFAOYSA-N -1 3 382.338 3.259 20 10 GGCDHM Cc1ccc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c([O-])c1O ZINC000179540648 1429417968 /nfs/dbraw/zinc/41/79/68/1429417968.db2.gz PTKZASJUDGGXJV-OAHLLOKOSA-N -1 3 380.444 3.163 20 10 GGCDHM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])Cc1ccccc1N1CCOCC1 ZINC000179762032 1429545898 /nfs/dbraw/zinc/54/58/98/1429545898.db2.gz OXDQQZUCARQBKF-UHFFFAOYSA-N -1 3 391.855 3.422 20 10 GGCDHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000179805686 1429579807 /nfs/dbraw/zinc/57/98/07/1429579807.db2.gz YPBYFOASGDKELU-KRWDZBQOSA-N -1 3 390.505 3.247 20 10 GGCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1[O-] ZINC000155638085 1423462222 /nfs/dbraw/zinc/46/22/22/1423462222.db2.gz CVSXANCKUUWHGY-MRXNPFEDSA-N -1 3 397.855 3.348 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C(N)=O)c1ccc(F)cc1 ZINC000157080949 1423920635 /nfs/dbraw/zinc/92/06/35/1423920635.db2.gz ZSQZOFQKRAECDG-INIZCTEOSA-N -1 3 381.245 3.342 20 10 GGCDHM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1c([O-])cccc1Cl ZINC000160215656 1424588273 /nfs/dbraw/zinc/58/82/73/1424588273.db2.gz GDMUVKGJFLDQRY-UHFFFAOYSA-N -1 3 375.856 3.465 20 10 GGCDHM CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(Cl)ccc1[O-] ZINC000160670603 1424624224 /nfs/dbraw/zinc/62/42/24/1424624224.db2.gz JNKZBMFNBWCAFM-UHFFFAOYSA-N -1 3 376.840 3.277 20 10 GGCDHM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCS[C@@H](C(C)C)C2)c1 ZINC000173482134 1426655833 /nfs/dbraw/zinc/65/58/33/1426655833.db2.gz QIOFYNFAIYPJOO-HXUWFJFHSA-N -1 3 392.565 3.000 20 10 GGCDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC[C@H]1c1ccccc1 ZINC000174231997 1427061675 /nfs/dbraw/zinc/06/16/75/1427061675.db2.gz MFDXMQKPBOIMMP-RHSMWYFYSA-N -1 3 388.489 3.030 20 10 GGCDHM CCN(CC)c1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1F ZINC000175142080 1427566336 /nfs/dbraw/zinc/56/63/36/1427566336.db2.gz WGFLYDAOADQHCO-UHFFFAOYSA-N -1 3 388.487 3.291 20 10 GGCDHM O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(O)cc1[O-] ZINC000175292458 1427651906 /nfs/dbraw/zinc/65/19/06/1427651906.db2.gz UVWXXQQCMBSSEA-LBPRGKRZSA-N -1 3 378.375 3.098 20 10 GGCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000180711110 1429992474 /nfs/dbraw/zinc/99/24/74/1429992474.db2.gz MYNHVKHGPOIZEC-HKUYNNGSSA-N -1 3 392.293 3.479 20 10 GGCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000180711092 1429992944 /nfs/dbraw/zinc/99/29/44/1429992944.db2.gz MYNHVKHGPOIZEC-PKOBYXMFSA-N -1 3 392.293 3.479 20 10 GGCDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3cccc4cccnc43)c2)CC1 ZINC000185159110 1431074280 /nfs/dbraw/zinc/07/42/80/1431074280.db2.gz NEHDJCYUOCWWAY-UHFFFAOYSA-N -1 3 396.516 3.178 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(Cc3ccccc3)CCCC2)c1 ZINC000185304811 1431107021 /nfs/dbraw/zinc/10/70/21/1431107021.db2.gz RDCUTAHQDYGRRF-UHFFFAOYSA-N -1 3 388.489 3.049 20 10 GGCDHM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000186214834 1431354021 /nfs/dbraw/zinc/35/40/21/1431354021.db2.gz QOUODTVFXKVTDS-FQEVSTJZSA-N -1 3 388.489 3.001 20 10 GGCDHM O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccc(O)c1[O-] ZINC000186986664 1431583476 /nfs/dbraw/zinc/58/34/76/1431583476.db2.gz UPCBPMLADKSIAS-UHFFFAOYSA-N -1 3 380.375 3.419 20 10 GGCDHM CC[C@H](CN(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000187412652 1431723083 /nfs/dbraw/zinc/72/30/83/1431723083.db2.gz SLHARBNYTULELX-OAHLLOKOSA-N -1 3 390.505 3.420 20 10 GGCDHM C[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(F)c(F)c1[O-] ZINC000187870217 1431822258 /nfs/dbraw/zinc/82/22/58/1431822258.db2.gz KDDXGPBAKMSQMA-SJKOYZFVSA-N -1 3 375.419 3.293 20 10 GGCDHM C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(F)c(F)c1[O-] ZINC000187870190 1431822287 /nfs/dbraw/zinc/82/22/87/1431822287.db2.gz KDDXGPBAKMSQMA-YVEFUNNKSA-N -1 3 375.419 3.293 20 10 GGCDHM CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(O)c1[O-] ZINC000188124965 1431849974 /nfs/dbraw/zinc/84/99/74/1431849974.db2.gz LNXPOVDFAVYADD-UHFFFAOYSA-N -1 3 382.338 3.217 20 10 GGCDHM O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(O)c1[O-] ZINC000189251939 1432071802 /nfs/dbraw/zinc/07/18/02/1432071802.db2.gz VABIXBGKJORFGO-UHFFFAOYSA-N -1 3 377.322 3.232 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000193000153 1432919960 /nfs/dbraw/zinc/91/99/60/1432919960.db2.gz BRXKOQFXHGHKNZ-CYBMUJFWSA-N -1 3 383.379 3.307 20 10 GGCDHM O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193070558 1432931829 /nfs/dbraw/zinc/93/18/29/1432931829.db2.gz QLHZRZUODXUSAL-UHFFFAOYSA-N -1 3 379.334 3.250 20 10 GGCDHM CCS[C@@H](C)c1noc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])n1 ZINC000268885853 1434567973 /nfs/dbraw/zinc/56/79/73/1434567973.db2.gz GJWUXGGTMUYAEK-NSHDSACASA-N -1 3 399.900 3.418 20 10 GGCDHM CC[C@H](c1ccccc1)N(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271290839 1434813585 /nfs/dbraw/zinc/81/35/85/1434813585.db2.gz PGZSUERRZDYEGQ-QGZVFWFLSA-N -1 3 376.478 3.377 20 10 GGCDHM CC(C)CN(CCc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271331731 1434816725 /nfs/dbraw/zinc/81/67/25/1434816725.db2.gz ZSEXVIPPONZDDP-UHFFFAOYSA-N -1 3 390.505 3.105 20 10 GGCDHM Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2C)c([O-])c1O ZINC000272812575 1434932810 /nfs/dbraw/zinc/93/28/10/1434932810.db2.gz NRDWNQXXWURFBW-UHFFFAOYSA-N -1 3 386.473 3.156 20 10 GGCDHM Cc1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000273315549 1434980164 /nfs/dbraw/zinc/98/01/64/1434980164.db2.gz YNGWIODCUNKSBU-UHFFFAOYSA-N -1 3 376.460 3.405 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccnc2OCC(F)(F)F)c1 ZINC000273418156 1434987431 /nfs/dbraw/zinc/98/74/31/1434987431.db2.gz RKZDZBYKGKMQGW-LLVKDONJSA-N -1 3 384.354 3.366 20 10 GGCDHM COCCOc1cc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])ccc1OC ZINC000273522867 1434994283 /nfs/dbraw/zinc/99/42/83/1434994283.db2.gz UQZDFMHUDNAPPR-CYBMUJFWSA-N -1 3 375.421 3.386 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OC)c(N3CCOC3=O)c2)c1 ZINC000273532184 1434994901 /nfs/dbraw/zinc/99/49/01/1434994901.db2.gz WRNUPOGQCNTQKC-GFCCVEGCSA-N -1 3 386.404 3.317 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nccn2CCc2ccccc2)c1 ZINC000273569593 1434997333 /nfs/dbraw/zinc/99/73/33/1434997333.db2.gz KKLBYHXXUXVKKJ-INIZCTEOSA-N -1 3 379.460 3.469 20 10 GGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000276774485 1435231428 /nfs/dbraw/zinc/23/14/28/1435231428.db2.gz BJMVTACCVXDQQI-CYBMUJFWSA-N -1 3 395.452 3.310 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000277355596 1435297723 /nfs/dbraw/zinc/29/77/23/1435297723.db2.gz AADBOFDGNVNDJB-UHFFFAOYSA-N -1 3 381.350 3.240 20 10 GGCDHM COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1ccc([N+](=O)[O-])c(OC)c1[O-])N2 ZINC000277900913 1435340705 /nfs/dbraw/zinc/34/07/05/1435340705.db2.gz CVZUWIXJYPDJJJ-GOSISDBHSA-N -1 3 385.376 3.047 20 10 GGCDHM COc1c([O-])c(CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278314546 1435379083 /nfs/dbraw/zinc/37/90/83/1435379083.db2.gz XELPRHIYBLYVGF-MZHQLVBMSA-N -1 3 378.450 3.239 20 10 GGCDHM COc1ccc(OC(F)F)c(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278481593 1435394147 /nfs/dbraw/zinc/39/41/47/1435394147.db2.gz JKPYPEWBVPYBIC-UHFFFAOYSA-N -1 3 384.335 3.209 20 10 GGCDHM CCOc1cc(C(=O)N(C)C)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278555496 1435399801 /nfs/dbraw/zinc/39/98/01/1435399801.db2.gz ZYLKMOUPUZBNJM-UHFFFAOYSA-N -1 3 389.408 3.022 20 10 GGCDHM COc1c([O-])c(CNc2ccc(NC(=O)[C@@H]3CCCO3)cc2)ccc1[N+](=O)[O-] ZINC000278570070 1435401117 /nfs/dbraw/zinc/40/11/17/1435401117.db2.gz CPOFIFVSYGWUKS-INIZCTEOSA-N -1 3 387.392 3.039 20 10 GGCDHM CCOCCOCc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278619724 1435406526 /nfs/dbraw/zinc/40/65/26/1435406526.db2.gz FRLIFEKSFKKNDG-UHFFFAOYSA-N -1 3 376.409 3.474 20 10 GGCDHM COc1c([O-])c(CNc2ccc(CCC(=O)N3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000278854724 1435431334 /nfs/dbraw/zinc/43/13/34/1435431334.db2.gz LFTSPBJSZJASNB-UHFFFAOYSA-N -1 3 399.447 3.476 20 10 GGCDHM CCCS(=O)(=O)Nc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278887882 1435436000 /nfs/dbraw/zinc/43/60/00/1435436000.db2.gz PAOQRKIHJBRYFG-UHFFFAOYSA-N -1 3 395.437 3.073 20 10 GGCDHM CN(CCC1CCN(C(=O)c2cccc(O)c2[O-])CC1)C(=O)OC(C)(C)C ZINC000279818295 1435547015 /nfs/dbraw/zinc/54/70/15/1435547015.db2.gz LVIXQOSTRRPVOE-UHFFFAOYSA-N -1 3 378.469 3.207 20 10 GGCDHM Cc1ccc([C@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)c(C)c1 ZINC000280094438 1435591007 /nfs/dbraw/zinc/59/10/07/1435591007.db2.gz QYKZOOXRRJJNEV-HNNXBMFYSA-N -1 3 388.489 3.010 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c1 ZINC000281495391 1435811208 /nfs/dbraw/zinc/81/12/08/1435811208.db2.gz GNCOVDVDSMNTPU-VBKZILBWSA-N -1 3 398.459 3.270 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c1 ZINC000281495422 1435811224 /nfs/dbraw/zinc/81/12/24/1435811224.db2.gz GNCOVDVDSMNTPU-XOBRGWDASA-N -1 3 398.459 3.270 20 10 GGCDHM COc1ccc(-c2nn[n-]n2)cc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000826181733 1446106417 /nfs/dbraw/zinc/10/64/17/1446106417.db2.gz LVWZSNQOTXRPRK-UHFFFAOYSA-N -1 3 392.507 3.498 20 10 GGCDHM CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821110210 1446313918 /nfs/dbraw/zinc/31/39/18/1446313918.db2.gz YDODRLXCCWGIKN-CYBMUJFWSA-N -1 3 398.467 3.021 20 10 GGCDHM COc1ccc(N2CCC(Nc3cc(C(C)=O)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000826208995 947611289 /nfs/dbraw/zinc/61/12/89/947611289.db2.gz IZKOKJFVBYTHMD-UHFFFAOYSA-N -1 3 392.463 3.159 20 10 GGCDHM COc1ccc(N2CCC(Nc3cc(C(C)=O)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000826208995 947611295 /nfs/dbraw/zinc/61/12/95/947611295.db2.gz IZKOKJFVBYTHMD-UHFFFAOYSA-N -1 3 392.463 3.159 20 10 GGCDHM S=C(NCc1ccc(Cl)cn1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826511750 948433433 /nfs/dbraw/zinc/43/34/33/948433433.db2.gz CEJQXVJAKUDDHU-UHFFFAOYSA-N -1 3 380.264 3.055 20 10 GGCDHM S=C(NCc1ccc(Cl)cn1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826511750 948433438 /nfs/dbraw/zinc/43/34/38/948433438.db2.gz CEJQXVJAKUDDHU-UHFFFAOYSA-N -1 3 380.264 3.055 20 10 GGCDHM Cc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccc1C(=O)[O-] ZINC001594319507 958112515 /nfs/dbraw/zinc/11/25/15/958112515.db2.gz GHQJEWOPPOVSSU-IBGZPJMESA-N -1 3 384.480 3.184 20 10 GGCDHM CC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001595278240 980309512 /nfs/dbraw/zinc/30/95/12/980309512.db2.gz CAULUIWTKHEJNW-BUVFEPMLSA-N -1 3 398.503 3.421 20 10 GGCDHM CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001595278242 980309866 /nfs/dbraw/zinc/30/98/66/980309866.db2.gz CAULUIWTKHEJNW-XUEUYAKLSA-N -1 3 398.503 3.421 20 10 GGCDHM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000901777961 980508405 /nfs/dbraw/zinc/50/84/05/980508405.db2.gz CCWUZJVHITVPHF-GFCCVEGCSA-N -1 3 375.347 3.080 20 10 GGCDHM O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1c1ccc(Br)cc1 ZINC000901896675 980608343 /nfs/dbraw/zinc/60/83/43/980608343.db2.gz GGVOBWRSQBZAHJ-JKSUJKDBSA-N -1 3 376.250 3.455 20 10 GGCDHM O=C([O-])[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1c1ccc(Br)cc1 ZINC000901896675 980608345 /nfs/dbraw/zinc/60/83/45/980608345.db2.gz GGVOBWRSQBZAHJ-JKSUJKDBSA-N -1 3 376.250 3.455 20 10 GGCDHM CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001596364769 983852344 /nfs/dbraw/zinc/85/23/44/983852344.db2.gz DCZSTIMBKAQBIJ-UHFFFAOYSA-N -1 3 387.436 3.146 20 10 GGCDHM Cc1[nH]c(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1C(=O)[O-] ZINC001599962707 985821539 /nfs/dbraw/zinc/82/15/39/985821539.db2.gz CPFCXAWXJOWXRM-BETUJISGSA-N -1 3 375.444 3.064 20 10 GGCDHM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001597458811 987882225 /nfs/dbraw/zinc/88/22/25/987882225.db2.gz VHDPOAHSBKGTLH-HXUWFJFHSA-N -1 3 398.507 3.438 20 10 GGCDHM C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593218369 994284236 /nfs/dbraw/zinc/28/42/36/994284236.db2.gz HWEDESWVHQLALD-WWGRRREGSA-N -1 3 378.469 3.387 20 10 GGCDHM C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593218366 994285053 /nfs/dbraw/zinc/28/50/53/994285053.db2.gz HWEDESWVHQLALD-DVOMOZLQSA-N -1 3 378.469 3.387 20 10 GGCDHM C[C@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246415 994451798 /nfs/dbraw/zinc/45/17/98/994451798.db2.gz LALMVYMPWKHTSQ-MGPLVRAMSA-N -1 3 385.338 3.373 20 10 GGCDHM C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257436 994528631 /nfs/dbraw/zinc/52/86/31/994528631.db2.gz NQLWSZLBJCLDEQ-KGLIPLIRSA-N -1 3 378.469 3.388 20 10 GGCDHM C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593269104 994598240 /nfs/dbraw/zinc/59/82/40/994598240.db2.gz ZCPRVKHHFKHWSV-LBPRGKRZSA-N -1 3 397.880 3.258 20 10 GGCDHM C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593285363 994634592 /nfs/dbraw/zinc/63/45/92/994634592.db2.gz CTGWGHRKXZYAFH-MGPLVRAMSA-N -1 3 380.238 3.237 20 10 GGCDHM COC(=O)c1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc(C(=O)[O-])c1 ZINC001598929531 997718749 /nfs/dbraw/zinc/71/87/49/997718749.db2.gz ONBWMZVHDOVQDF-IBGZPJMESA-N -1 3 399.443 3.058 20 10 GGCDHM O=C([O-])[C@H](Cc1cncs1)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001608544808 1126237605 /nfs/dbraw/zinc/23/76/05/1126237605.db2.gz CTUGLIXGGFLKAZ-SFHVURJKSA-N -1 3 384.457 3.213 20 10 GGCDHM Cc1nc(CN2CCN(Cc3cc(Br)ccc3[O-])CC2)oc1C ZINC000093055722 564884095 /nfs/dbraw/zinc/88/40/95/564884095.db2.gz MMDBZSGGXMFUJH-UHFFFAOYSA-N -1 3 380.286 3.077 20 10 GGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093133791 564884115 /nfs/dbraw/zinc/88/41/15/564884115.db2.gz RXQZUHKVURSGER-LBPRGKRZSA-N -1 3 377.286 3.072 20 10 GGCDHM Cc1ccc(CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C(C)C)s1 ZINC000094055894 564895827 /nfs/dbraw/zinc/89/58/27/564895827.db2.gz SCDQGTLACUNPCN-UHFFFAOYSA-N -1 3 382.507 3.184 20 10 GGCDHM Cc1cc(Br)cc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c1[O-] ZINC000154996531 565059017 /nfs/dbraw/zinc/05/90/17/565059017.db2.gz WJVSNJFVGRIBSX-INIZCTEOSA-N -1 3 398.322 3.339 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CSc1nncs1 ZINC000266569801 565085301 /nfs/dbraw/zinc/08/53/01/565085301.db2.gz XLLABWUYKXKIBL-UHFFFAOYSA-N -1 3 388.312 3.147 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCCc1nc(C)no1 ZINC000266894116 565094857 /nfs/dbraw/zinc/09/48/57/565094857.db2.gz ZDBNOXFTARSICW-UHFFFAOYSA-N -1 3 397.273 3.010 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000266905314 565095844 /nfs/dbraw/zinc/09/58/44/565095844.db2.gz YFLOGGGBKOEIEM-NSHDSACASA-N -1 3 381.274 3.181 20 10 GGCDHM O=[N+]([O-])c1ccn(C2CCN(Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000369557352 565098684 /nfs/dbraw/zinc/09/86/84/565098684.db2.gz UYUZPYXZRRHCNE-UHFFFAOYSA-N -1 3 381.230 3.097 20 10 GGCDHM COc1cc(Cl)cc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000184702387 565152526 /nfs/dbraw/zinc/15/25/26/565152526.db2.gz XWVKFNDMYSXUEG-GJZGRUSLSA-N -1 3 383.897 3.440 20 10 GGCDHM CC(C)NC(=O)CN[C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000184896020 565163733 /nfs/dbraw/zinc/16/37/33/565163733.db2.gz GJZKPCDGJJXRAJ-MRVPVSSYSA-N -1 3 394.107 3.092 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnn(C)c1C1CC1 ZINC000269148700 565180301 /nfs/dbraw/zinc/18/03/01/565180301.db2.gz KOGNXDOCFNKEKU-UHFFFAOYSA-N -1 3 378.270 3.428 20 10 GGCDHM C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186082515 565238321 /nfs/dbraw/zinc/23/83/21/565238321.db2.gz OARXYDFCKJUCDY-GXFFZTMASA-N -1 3 383.279 3.279 20 10 GGCDHM Cc1cc(N2CC[C@@H](N[C@@H](C)c3ccc(Cl)c(Cl)c3[O-])C2=O)n(C)n1 ZINC000186083683 565238563 /nfs/dbraw/zinc/23/85/63/565238563.db2.gz VCODXTAQFUWDHU-GXFFZTMASA-N -1 3 383.279 3.197 20 10 GGCDHM C[C@@H](NCc1cc(Br)cc(Br)c1[O-])c1cn[nH]c1 ZINC000271773344 565267759 /nfs/dbraw/zinc/26/77/59/565267759.db2.gz CAGHKOZWBNXNCX-SSDOTTSWSA-N -1 3 375.064 3.491 20 10 GGCDHM C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-] ZINC000273428970 565319511 /nfs/dbraw/zinc/31/95/11/565319511.db2.gz KTXZEVGYKVMWAY-NSHDSACASA-N -1 3 384.841 3.078 20 10 GGCDHM CCNC(=O)[C@H](C)N[C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000273444094 565321138 /nfs/dbraw/zinc/32/11/38/565321138.db2.gz ZKFZAIGJZYKXEO-YUMQZZPRSA-N -1 3 394.107 3.092 20 10 GGCDHM COc1cc(Br)cc(CN2CCOC[C@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000374256903 565327529 /nfs/dbraw/zinc/32/75/29/565327529.db2.gz BLKRZKPUROVBBF-AWEZNQCLSA-N -1 3 396.285 3.077 20 10 GGCDHM COCC(=O)N1CCc2cc(NCc3cc(Br)ccc3[O-])ccc21 ZINC000189305536 565458331 /nfs/dbraw/zinc/45/83/31/565458331.db2.gz RKOODVSAGFQZEN-UHFFFAOYSA-N -1 3 391.265 3.302 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000377047809 565463694 /nfs/dbraw/zinc/46/36/94/565463694.db2.gz QKMZRNJYPQTGKB-HNNXBMFYSA-N -1 3 396.212 3.213 20 10 GGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1Cc1nc(C2CC2)cs1 ZINC000277154417 565478812 /nfs/dbraw/zinc/47/88/12/565478812.db2.gz BHYWVFRZCQXRQQ-UHFFFAOYSA-N -1 3 377.853 3.344 20 10 GGCDHM Cc1csc([C@@H](C)CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000277504067 565502271 /nfs/dbraw/zinc/50/22/71/565502271.db2.gz VTDNYBSESZHJCO-JTQLQIEISA-N -1 3 379.869 3.378 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCc1cccnc1 ZINC000173696127 565577180 /nfs/dbraw/zinc/57/71/80/565577180.db2.gz XSPCQJHMFNMBLN-UHFFFAOYSA-N -1 3 378.270 3.324 20 10 GGCDHM [O-]c1ccc(F)cc1CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191685518 565620783 /nfs/dbraw/zinc/62/07/83/565620783.db2.gz QNBMXKRYEXTRND-UHFFFAOYSA-N -1 3 376.379 3.114 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCc1nccs1 ZINC000174466885 565638014 /nfs/dbraw/zinc/63/80/14/565638014.db2.gz SYGWRKMPCRLCPT-UHFFFAOYSA-N -1 3 384.299 3.385 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H](C)c1cn(C)nc1C ZINC000175108812 565679752 /nfs/dbraw/zinc/67/97/52/565679752.db2.gz IVAWJKCWOYDVCJ-NSHDSACASA-N -1 3 395.301 3.489 20 10 GGCDHM O=C([N-]CC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1)C(F)(F)F ZINC000281167133 565715828 /nfs/dbraw/zinc/71/58/28/565715828.db2.gz GRNZZXACPJFEET-UHFFFAOYSA-N -1 3 395.219 3.045 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccccc2Br)C1 ZINC000192999909 565724468 /nfs/dbraw/zinc/72/44/68/565724468.db2.gz AXOIAOVIIFLNAD-OAHLLOKOSA-N -1 3 378.222 3.074 20 10 GGCDHM CCCNC(=O)CCCC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000175842807 565727566 /nfs/dbraw/zinc/72/75/66/565727566.db2.gz KQMAMHVPKJARBA-UHFFFAOYSA-N -1 3 385.302 3.200 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1c(C)nn(C)c1C ZINC000175850100 565727663 /nfs/dbraw/zinc/72/76/63/565727663.db2.gz AWGXRQNISDMZEC-UHFFFAOYSA-N -1 3 380.286 3.096 20 10 GGCDHM COc1cc(CNCc2cc([N+](=O)[O-])ccc2[O-])cc(Br)c1OC ZINC000237300509 565955047 /nfs/dbraw/zinc/95/50/47/565955047.db2.gz PJAWXHZHGFXGSP-UHFFFAOYSA-N -1 3 397.225 3.370 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000363046587 565988740 /nfs/dbraw/zinc/98/87/40/565988740.db2.gz AZVSAHUPDRSCCX-LSDHHAIUSA-N -1 3 378.270 3.040 20 10 GGCDHM C[C@H](N[C@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(F)c1[O-] ZINC000363858982 566024750 /nfs/dbraw/zinc/02/47/50/566024750.db2.gz RXDBHCUOWJCNNT-BONVTDFDSA-N -1 3 398.276 3.211 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000364911696 566075688 /nfs/dbraw/zinc/07/56/88/566075688.db2.gz YTBFLIYEGJRLDE-HNNXBMFYSA-N -1 3 380.853 3.004 20 10 GGCDHM C[C@H](O)[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180865253 566093846 /nfs/dbraw/zinc/09/38/46/566093846.db2.gz XNUPCBHEOQDSFG-IUCAKERBSA-N -1 3 379.092 3.120 20 10 GGCDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1c1cccs1 ZINC000291814015 566236225 /nfs/dbraw/zinc/23/62/25/566236225.db2.gz YNSBUSFDOAYADE-HNNXBMFYSA-N -1 3 380.491 3.049 20 10 GGCDHM C[C@H](NC(c1nccn1C)c1nccn1C)c1cc(Br)ccc1[O-] ZINC000527949607 567386704 /nfs/dbraw/zinc/38/67/04/567386704.db2.gz WFCPQHLHROUGNF-NSHDSACASA-N -1 3 390.285 3.062 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnn(CCCOC)c1 ZINC000528829349 567461467 /nfs/dbraw/zinc/46/14/67/567461467.db2.gz FTOYSRLEAXMFDY-UHFFFAOYSA-N -1 3 396.285 3.050 20 10 GGCDHM O=[N+]([O-])c1ccc(Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000738369592 598857096 /nfs/dbraw/zinc/85/70/96/598857096.db2.gz JQPLYNOFFVCQTP-ZDUSSCGKSA-N -1 3 399.386 3.249 20 10 GGCDHM O=[N+]([O-])c1ccc(Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000738369592 598857098 /nfs/dbraw/zinc/85/70/98/598857098.db2.gz JQPLYNOFFVCQTP-ZDUSSCGKSA-N -1 3 399.386 3.249 20 10 GGCDHM CN(C)c1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000736778206 599259801 /nfs/dbraw/zinc/25/98/01/599259801.db2.gz DFKXBDKDMVDGAP-UHFFFAOYSA-N -1 3 390.407 3.001 20 10 GGCDHM CN(C)c1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000736778206 599259803 /nfs/dbraw/zinc/25/98/03/599259803.db2.gz DFKXBDKDMVDGAP-UHFFFAOYSA-N -1 3 390.407 3.001 20 10 GGCDHM CCN(Cc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821222488 607305365 /nfs/dbraw/zinc/30/53/65/607305365.db2.gz VEFMQVNBPOXHQQ-UHFFFAOYSA-N -1 3 391.401 3.373 20 10 GGCDHM CCN(Cc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821222488 607305366 /nfs/dbraw/zinc/30/53/66/607305366.db2.gz VEFMQVNBPOXHQQ-UHFFFAOYSA-N -1 3 391.401 3.373 20 10 GGCDHM COc1ccc(N2CCC(Nc3c(F)cc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000737099735 598352937 /nfs/dbraw/zinc/35/29/37/598352937.db2.gz PTYOQCHOPBONLP-UHFFFAOYSA-N -1 3 386.406 3.234 20 10 GGCDHM COc1ccc(N2CCC(Nc3c(F)cc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737099735 598352940 /nfs/dbraw/zinc/35/29/40/598352940.db2.gz PTYOQCHOPBONLP-UHFFFAOYSA-N -1 3 386.406 3.234 20 10 GGCDHM Cc1nnc(NCc2ccc(N3CCC(C)CC3)cc2)c(-c2nnn[n-]2)c1C ZINC000737531438 598503687 /nfs/dbraw/zinc/50/36/87/598503687.db2.gz BISWMXOUKQMNHS-UHFFFAOYSA-N -1 3 378.484 3.122 20 10 GGCDHM Cc1nnc(NCc2ccc(N3CCC(C)CC3)cc2)c(-c2nn[n-]n2)c1C ZINC000737531438 598503689 /nfs/dbraw/zinc/50/36/89/598503689.db2.gz BISWMXOUKQMNHS-UHFFFAOYSA-N -1 3 378.484 3.122 20 10 GGCDHM Cc1cc(C(=O)N2CCc3ccccc32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232838 598609152 /nfs/dbraw/zinc/60/91/52/598609152.db2.gz DKOPJPMRAZTTIW-UHFFFAOYSA-N -1 3 384.443 3.477 20 10 GGCDHM CCCCOCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736461197 598609996 /nfs/dbraw/zinc/60/99/96/598609996.db2.gz VFUOKIFZKPHBGS-UHFFFAOYSA-N -1 3 396.495 3.211 20 10 GGCDHM Cc1cc(C(=O)NCc2cccc(F)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737237014 598610927 /nfs/dbraw/zinc/61/09/27/598610927.db2.gz ZHGCNKOXMBIQAC-UHFFFAOYSA-N -1 3 390.422 3.343 20 10 GGCDHM Cc1cc(C(=O)N2CCS[C@H](C)[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232968 599303592 /nfs/dbraw/zinc/30/35/92/599303592.db2.gz GGFAGNLTUQYTMJ-UKRRQHHQSA-N -1 3 396.520 3.240 20 10 GGCDHM CN(Cc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821610870 599320348 /nfs/dbraw/zinc/32/03/48/599320348.db2.gz IPFJYVAMZAUHTI-UHFFFAOYSA-N -1 3 393.451 3.402 20 10 GGCDHM CN(Cc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821610870 599320350 /nfs/dbraw/zinc/32/03/50/599320350.db2.gz IPFJYVAMZAUHTI-UHFFFAOYSA-N -1 3 393.451 3.402 20 10 GGCDHM CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821109699 599681439 /nfs/dbraw/zinc/68/14/39/599681439.db2.gz MWWDDNXAUHJLLG-AWEZNQCLSA-N -1 3 380.452 3.255 20 10 GGCDHM CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821109699 599681440 /nfs/dbraw/zinc/68/14/40/599681440.db2.gz MWWDDNXAUHJLLG-AWEZNQCLSA-N -1 3 380.452 3.255 20 10 GGCDHM Cc1cncc(C=CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c1 ZINC000822399432 607394186 /nfs/dbraw/zinc/39/41/86/607394186.db2.gz HVWUARANGYIMAY-CMDGGOBGSA-N -1 3 386.415 3.410 20 10 GGCDHM Cc1cncc(C=CC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c1 ZINC000822399432 607394187 /nfs/dbraw/zinc/39/41/87/607394187.db2.gz HVWUARANGYIMAY-CMDGGOBGSA-N -1 3 386.415 3.410 20 10 GGCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000826244214 607461484 /nfs/dbraw/zinc/46/14/84/607461484.db2.gz KRQIXLCPIFEGPH-UHFFFAOYSA-N -1 3 389.415 3.316 20 10 GGCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000826244214 607461485 /nfs/dbraw/zinc/46/14/85/607461485.db2.gz KRQIXLCPIFEGPH-UHFFFAOYSA-N -1 3 389.415 3.316 20 10 GGCDHM COc1ccc(N(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC(C)C)cc1 ZINC000826209088 607644469 /nfs/dbraw/zinc/64/44/69/607644469.db2.gz MDEZSTJKBJEDLC-UHFFFAOYSA-N -1 3 398.467 3.186 20 10 GGCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000826243830 607651440 /nfs/dbraw/zinc/65/14/40/607651440.db2.gz XBLLPPJRMAGLCT-UHFFFAOYSA-N -1 3 390.491 3.438 20 10 GGCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000826243830 607651443 /nfs/dbraw/zinc/65/14/43/607651443.db2.gz XBLLPPJRMAGLCT-UHFFFAOYSA-N -1 3 390.491 3.438 20 10 GGCDHM C[C@H](Oc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000833537571 604519815 /nfs/dbraw/zinc/51/98/15/604519815.db2.gz LSGOSSHBSACMGP-JXFKEZNVSA-N -1 3 385.460 3.425 20 10 GGCDHM C[C@H](Oc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000833537571 604519818 /nfs/dbraw/zinc/51/98/18/604519818.db2.gz LSGOSSHBSACMGP-JXFKEZNVSA-N -1 3 385.460 3.425 20 10 GGCDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1CCc1ccccc1 ZINC000823503528 606334894 /nfs/dbraw/zinc/33/48/94/606334894.db2.gz GENWEVROIVNNNL-ZROIWOOFSA-N -1 3 399.526 3.372 20 10 GGCDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)SC(=S)N1CCc1ccccc1 ZINC000823503528 606334896 /nfs/dbraw/zinc/33/48/96/606334896.db2.gz GENWEVROIVNNNL-ZROIWOOFSA-N -1 3 399.526 3.372 20 10 GGCDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1c1ccccc1F ZINC000823503925 606335156 /nfs/dbraw/zinc/33/51/56/606335156.db2.gz KRVSMVBBCNXIEV-WUXMJOGZSA-N -1 3 389.462 3.473 20 10 GGCDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)SC(=S)N1c1ccccc1F ZINC000823503925 606335158 /nfs/dbraw/zinc/33/51/58/606335158.db2.gz KRVSMVBBCNXIEV-WUXMJOGZSA-N -1 3 389.462 3.473 20 10 GGCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1C(C1CC1)C1CC1 ZINC000823503739 606394558 /nfs/dbraw/zinc/39/45/58/606394558.db2.gz IBUQENTUYOHKEP-GHXNOFRVSA-N -1 3 389.531 3.318 20 10 GGCDHM Cc1cc(C(=O)Nc2cnc(C)s2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826330544 607773985 /nfs/dbraw/zinc/77/39/85/607773985.db2.gz YQXYGBJVWOFMNG-UHFFFAOYSA-N -1 3 379.449 3.291 20 10 GGCDHM CN(C)c1ccc(CNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000825878676 607833564 /nfs/dbraw/zinc/83/35/64/607833564.db2.gz AKDIYNVCGAKWBH-UHFFFAOYSA-N -1 3 391.262 3.170 20 10 GGCDHM CN(C)c1ccc(CNC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000825878676 607833565 /nfs/dbraw/zinc/83/35/65/607833565.db2.gz AKDIYNVCGAKWBH-UHFFFAOYSA-N -1 3 391.262 3.170 20 10 GGCDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)SC(=S)N1c1ccc(F)cc1 ZINC000826476592 607883964 /nfs/dbraw/zinc/88/39/64/607883964.db2.gz KVUKGBQOFDBUPJ-ZROIWOOFSA-N -1 3 383.433 3.412 20 10 GGCDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)SC(=S)N1c1ccc(F)cc1 ZINC000826476592 607883965 /nfs/dbraw/zinc/88/39/65/607883965.db2.gz KVUKGBQOFDBUPJ-ZROIWOOFSA-N -1 3 383.433 3.412 20 10 GGCDHM CCc1nnc(N2CC=C(c3ccc(Cl)nc3)CC2)c(-c2nnn[n-]2)c1CC ZINC000825766846 608295598 /nfs/dbraw/zinc/29/55/98/608295598.db2.gz DCNPNSBWCFPQCW-UHFFFAOYSA-N -1 3 396.886 3.124 20 10 GGCDHM CCc1nnc(N2CC=C(c3ccc(Cl)nc3)CC2)c(-c2nn[n-]n2)c1CC ZINC000825766846 608295604 /nfs/dbraw/zinc/29/56/04/608295604.db2.gz DCNPNSBWCFPQCW-UHFFFAOYSA-N -1 3 396.886 3.124 20 10 GGCDHM C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824770394 609204982 /nfs/dbraw/zinc/20/49/82/609204982.db2.gz JYMXEPNZRGZCQK-AWEZNQCLSA-N -1 3 388.431 3.304 20 10 GGCDHM C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824770394 609204984 /nfs/dbraw/zinc/20/49/84/609204984.db2.gz JYMXEPNZRGZCQK-AWEZNQCLSA-N -1 3 388.431 3.304 20 10 GGCDHM Oc1cccc(Cl)c1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826511633 609320727 /nfs/dbraw/zinc/32/07/27/609320727.db2.gz YDERRPKAMRKVEL-UHFFFAOYSA-N -1 3 385.790 3.163 20 10 GGCDHM CCOc1ccc(-c2nnn[n-]2)cc1NC1CCN(c2ccc(OC)cc2)CC1 ZINC000825626443 609365778 /nfs/dbraw/zinc/36/57/78/609365778.db2.gz MBLNQDDDRUYAQI-UHFFFAOYSA-N -1 3 394.479 3.355 20 10 GGCDHM CCOc1ccc(-c2nn[n-]n2)cc1NC1CCN(c2ccc(OC)cc2)CC1 ZINC000825626443 609365780 /nfs/dbraw/zinc/36/57/80/609365780.db2.gz MBLNQDDDRUYAQI-UHFFFAOYSA-N -1 3 394.479 3.355 20 10 GGCDHM Cc1cc(C(=O)N2CC[C@H](C)[C@@H](F)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257939 609399602 /nfs/dbraw/zinc/39/96/02/609399602.db2.gz UCYZVGWNDXQQOU-SGTLLEGYSA-N -1 3 382.443 3.094 20 10 GGCDHM COc1ccc(N2CCC(Nc3cc(-c4nnn[n-]4)ccc3C(C)=O)CC2)cc1 ZINC000826209174 609422592 /nfs/dbraw/zinc/42/25/92/609422592.db2.gz PSHGBXHSPLPXCJ-UHFFFAOYSA-N -1 3 392.463 3.159 20 10 GGCDHM COc1ccc(N2CCC(Nc3cc(-c4nn[n-]n4)ccc3C(C)=O)CC2)cc1 ZINC000826209174 609422594 /nfs/dbraw/zinc/42/25/94/609422594.db2.gz PSHGBXHSPLPXCJ-UHFFFAOYSA-N -1 3 392.463 3.159 20 10 GGCDHM CCOC(=O)Nc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1-c1nnn[n-]1 ZINC000825553358 609488382 /nfs/dbraw/zinc/48/83/82/609488382.db2.gz PELJRGFOAYWEET-UHFFFAOYSA-N -1 3 399.430 3.252 20 10 GGCDHM CCOC(=O)Nc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1-c1nn[n-]n1 ZINC000825553358 609488383 /nfs/dbraw/zinc/48/83/83/609488383.db2.gz PELJRGFOAYWEET-UHFFFAOYSA-N -1 3 399.430 3.252 20 10 GGCDHM Cc1c(Cl)cnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1-c1nnn[n-]1 ZINC000826237402 609526670 /nfs/dbraw/zinc/52/66/70/609526670.db2.gz YKENAYGAXPBPOT-UHFFFAOYSA-N -1 3 392.854 3.394 20 10 GGCDHM Cc1c(Cl)cnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1-c1nn[n-]n1 ZINC000826237402 609526671 /nfs/dbraw/zinc/52/66/71/609526671.db2.gz YKENAYGAXPBPOT-UHFFFAOYSA-N -1 3 392.854 3.394 20 10 GGCDHM Cc1c(Cl)cnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)c1-c1nnn[n-]1 ZINC000826238930 609541118 /nfs/dbraw/zinc/54/11/18/609541118.db2.gz TUTAESVUTPDOFU-CYBMUJFWSA-N -1 3 399.886 3.233 20 10 GGCDHM Cc1c(Cl)cnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)c1-c1nn[n-]n1 ZINC000826238930 609541120 /nfs/dbraw/zinc/54/11/20/609541120.db2.gz TUTAESVUTPDOFU-CYBMUJFWSA-N -1 3 399.886 3.233 20 10 GGCDHM CN(C)C(=O)CN(Cc1c2c(ccc1[O-])oc1c2CCCC1)CC(F)(F)F ZINC000054493067 1406752829 /nfs/dbraw/zinc/75/28/29/1406752829.db2.gz ZCOXZSRUKZCOLC-UHFFFAOYSA-N -1 3 384.398 3.470 20 10 GGCDHM CC(C)Oc1cccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000055258746 1406915588 /nfs/dbraw/zinc/91/55/88/1406915588.db2.gz QETLRLBXRKCNKV-ZDUSSCGKSA-N -1 3 392.477 3.042 20 10 GGCDHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000055639123 1407036335 /nfs/dbraw/zinc/03/63/35/1407036335.db2.gz XZDZIRVAGIIWRD-UHFFFAOYSA-N -1 3 382.507 3.202 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000055639030 1407036458 /nfs/dbraw/zinc/03/64/58/1407036458.db2.gz WCPBYWSBDDYBOG-UHFFFAOYSA-N -1 3 388.898 3.211 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000055639093 1407035928 /nfs/dbraw/zinc/03/59/28/1407035928.db2.gz RXGFSSCWSBJJJX-UHFFFAOYSA-N -1 3 394.518 3.128 20 10 GGCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000063849142 1408427417 /nfs/dbraw/zinc/42/74/17/1408427417.db2.gz AJNXBZOGDAXXHZ-UHFFFAOYSA-N -1 3 382.507 3.202 20 10 GGCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000063849159 1408427600 /nfs/dbraw/zinc/42/76/00/1408427600.db2.gz NOKLAZWQUNQPQF-UHFFFAOYSA-N -1 3 386.470 3.087 20 10 GGCDHM Cc1nc(C)c(CC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c(=O)[n-]1 ZINC000067299542 1409067277 /nfs/dbraw/zinc/06/72/77/1409067277.db2.gz KQWSFDPKSUHBLA-UHFFFAOYSA-N -1 3 382.508 3.015 20 10 GGCDHM Cc1ccc([C@H]2CCCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000091743883 1410079242 /nfs/dbraw/zinc/07/92/42/1410079242.db2.gz WGYVELWWXORNFU-GOSISDBHSA-N -1 3 388.489 3.440 20 10 GGCDHM C[C@H]1CCCN(C(=O)C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000091949258 1410094210 /nfs/dbraw/zinc/09/42/10/1410094210.db2.gz XIJAWPOUPCGVMO-ZDUSSCGKSA-N -1 3 395.887 3.424 20 10 GGCDHM O=C(CC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1)N1CCCC1 ZINC000092056010 1410102888 /nfs/dbraw/zinc/10/28/88/1410102888.db2.gz PAYWDKWIILHYDN-UHFFFAOYSA-N -1 3 381.860 3.178 20 10 GGCDHM CC1CCN(C(=O)C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)CC1 ZINC000092144800 1410111141 /nfs/dbraw/zinc/11/11/41/1410111141.db2.gz VZHBTCUZUDMCBN-UHFFFAOYSA-N -1 3 395.887 3.424 20 10 GGCDHM CCCCN(C)C(=O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000092145611 1410111231 /nfs/dbraw/zinc/11/12/31/1410111231.db2.gz NRTNPBHMICLABR-UHFFFAOYSA-N -1 3 383.876 3.424 20 10 GGCDHM Cc1cc(C(=O)N2CCN(Cc3cc(Br)ccc3[O-])CC2)c(C)o1 ZINC000092168853 1410116736 /nfs/dbraw/zinc/11/67/36/1410116736.db2.gz MVOXMMCEOAKCIH-UHFFFAOYSA-N -1 3 393.281 3.323 20 10 GGCDHM COC(=O)CN(Cc1c[nH]nc1-c1cccnc1)Cc1cc(Cl)ccc1[O-] ZINC000093277135 1410228395 /nfs/dbraw/zinc/22/83/95/1410228395.db2.gz DLYXNSZXUXRMRF-UHFFFAOYSA-N -1 3 386.839 3.006 20 10 GGCDHM CCc1nn(C)c(Cl)c1CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000093277018 1410228825 /nfs/dbraw/zinc/22/88/25/1410228825.db2.gz FXPAEBRAHIRJBO-UHFFFAOYSA-N -1 3 386.279 3.170 20 10 GGCDHM CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093281278 1410229729 /nfs/dbraw/zinc/22/97/29/1410229729.db2.gz IPFOEMDRZSCHSF-LBPRGKRZSA-N -1 3 383.876 3.328 20 10 GGCDHM COc1ccc(OC)c(CN(CCO)Cc2cccc(Br)c2[O-])c1 ZINC000093361524 1410239063 /nfs/dbraw/zinc/23/90/63/1410239063.db2.gz KAWAHHUTQCGSIX-UHFFFAOYSA-N -1 3 396.281 3.166 20 10 GGCDHM CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000093910180 1410283381 /nfs/dbraw/zinc/28/33/81/1410283381.db2.gz YZINYKAHZILHCM-OAHLLOKOSA-N -1 3 382.869 3.298 20 10 GGCDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(Cl)c1 ZINC000093929239 1410286208 /nfs/dbraw/zinc/28/62/08/1410286208.db2.gz IFXVEZBJVWXNMY-HNNXBMFYSA-N -1 3 382.869 3.298 20 10 GGCDHM CC(C)(C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000094019136 1410294053 /nfs/dbraw/zinc/29/40/53/1410294053.db2.gz KYWYXPOMVFUQOE-KRWDZBQOSA-N -1 3 376.478 3.281 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)CC2CCC2)c1 ZINC000094055886 1410298636 /nfs/dbraw/zinc/29/86/36/1410298636.db2.gz RWUXFCALXFFSHD-UHFFFAOYSA-N -1 3 388.489 3.206 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC2CCCCC2)c1 ZINC000094069534 1410301172 /nfs/dbraw/zinc/30/11/72/1410301172.db2.gz HSQVEUOMGOFNGP-MRXNPFEDSA-N -1 3 380.510 3.339 20 10 GGCDHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094120757 1410304747 /nfs/dbraw/zinc/30/47/47/1410304747.db2.gz KZACNKYZNMOOST-AWEZNQCLSA-N -1 3 376.478 3.205 20 10 GGCDHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094125433 1410306539 /nfs/dbraw/zinc/30/65/39/1410306539.db2.gz VWGFAHPCJMUQBH-CQSZACIVSA-N -1 3 388.489 3.205 20 10 GGCDHM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094134665 1410307171 /nfs/dbraw/zinc/30/71/71/1410307171.db2.gz HQEDNEGGLVRSNR-UHFFFAOYSA-N -1 3 396.896 3.468 20 10 GGCDHM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094133330 1410307315 /nfs/dbraw/zinc/30/73/15/1410307315.db2.gz IUXICPMSTZWERD-GOSISDBHSA-N -1 3 376.478 3.233 20 10 GGCDHM Cc1ccc([C@H]2CCCCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1 ZINC000094166792 1410309352 /nfs/dbraw/zinc/30/93/52/1410309352.db2.gz GRHCMRNQQGZHJV-MRXNPFEDSA-N -1 3 392.477 3.423 20 10 GGCDHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000097377207 1410367960 /nfs/dbraw/zinc/36/79/60/1410367960.db2.gz CTXFFZXSFHCMHO-LBPRGKRZSA-N -1 3 388.445 3.309 20 10 GGCDHM O=C(NCc1ccco1)c1cccc(CNCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000101593550 1410474402 /nfs/dbraw/zinc/47/44/02/1410474402.db2.gz NTCBQOOMASNASL-UHFFFAOYSA-N -1 3 381.388 3.113 20 10 GGCDHM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc(O)cc(Br)c1[O-])N2 ZINC000102417631 1410626432 /nfs/dbraw/zinc/62/64/32/1410626432.db2.gz IZNZJTJXULQIAD-HNNXBMFYSA-N -1 3 379.210 3.065 20 10 GGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)c1c(F)cccc1F ZINC000111238379 1411896838 /nfs/dbraw/zinc/89/68/38/1411896838.db2.gz LKBQFDYVOBRXCV-INIZCTEOSA-N -1 3 385.794 3.032 20 10 GGCDHM COC(=O)CN(CC(=O)Nc1ccc(C)cc1C)Cc1cc(Cl)ccc1[O-] ZINC000111238403 1411897211 /nfs/dbraw/zinc/89/72/11/1411897211.db2.gz KXTKXMMLRLDUFE-UHFFFAOYSA-N -1 3 390.867 3.276 20 10 GGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(CC(=O)N3CCCC3)CC2)c1[O-] ZINC000177256729 1428655444 /nfs/dbraw/zinc/65/54/44/1428655444.db2.gz QRVGFAFCGMORGQ-UHFFFAOYSA-N -1 3 378.900 3.473 20 10 GGCDHM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000122477093 1414474144 /nfs/dbraw/zinc/47/41/44/1414474144.db2.gz PZEHFHFSDFBMEE-RYUDHWBXSA-N -1 3 398.322 3.315 20 10 GGCDHM O=C(NCc1ccco1)[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000128134409 1415921655 /nfs/dbraw/zinc/92/16/55/1415921655.db2.gz DJIINDWXJIJZET-OAHLLOKOSA-N -1 3 379.254 3.029 20 10 GGCDHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000131754937 1416612733 /nfs/dbraw/zinc/61/27/33/1416612733.db2.gz IIAASNSIGFQZOJ-HUUCEWRRSA-N -1 3 388.489 3.090 20 10 GGCDHM COC(=O)CN(CCC(=O)N(C)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000135187744 1417183722 /nfs/dbraw/zinc/18/37/22/1417183722.db2.gz RLKMRFFTMHWFGJ-UHFFFAOYSA-N -1 3 390.867 3.074 20 10 GGCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc2ccccc21 ZINC000135277495 1417201518 /nfs/dbraw/zinc/20/15/18/1417201518.db2.gz XOYBXLPXKKRCTL-CYBMUJFWSA-N -1 3 384.457 3.408 20 10 GGCDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)n(-c4ccccn4)c3C)nc21 ZINC000135903399 1417276912 /nfs/dbraw/zinc/27/69/12/1417276912.db2.gz FWIAEMOYUPMQEE-UHFFFAOYSA-N -1 3 389.415 3.404 20 10 GGCDHM CN(C)c1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000137994026 1417400573 /nfs/dbraw/zinc/40/05/73/1417400573.db2.gz ZRWIPVVWEFQLDA-UHFFFAOYSA-N -1 3 396.260 3.359 20 10 GGCDHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000179622598 1429475131 /nfs/dbraw/zinc/47/51/31/1429475131.db2.gz KRZOXKZJCPNPPH-PXAZEXFGSA-N -1 3 392.452 3.126 20 10 GGCDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000179737985 1429530757 /nfs/dbraw/zinc/53/07/57/1429530757.db2.gz SFUXWNULWGRQOM-NSHDSACASA-N -1 3 385.848 3.300 20 10 GGCDHM CN1CCO[C@@H]([C@H](NCc2cc([N+](=O)[O-])ccc2[O-])c2ccc(Cl)cc2)C1 ZINC000179766122 1429548764 /nfs/dbraw/zinc/54/87/64/1429548764.db2.gz CPXQQCBQLDTYJR-RTBURBONSA-N -1 3 391.855 3.115 20 10 GGCDHM O=C(c1ccccc1OC(F)F)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179909121 1429635259 /nfs/dbraw/zinc/63/52/59/1429635259.db2.gz DIDDCBSHABNOMD-UHFFFAOYSA-N -1 3 380.366 3.091 20 10 GGCDHM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(Cl)ccc1[O-] ZINC000160214175 1424588405 /nfs/dbraw/zinc/58/84/05/1424588405.db2.gz MXXPNELQEBOIPZ-UHFFFAOYSA-N -1 3 375.856 3.465 20 10 GGCDHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1ccc(Cl)nc1Cl ZINC000170661446 1425281738 /nfs/dbraw/zinc/28/17/38/1425281738.db2.gz HYXAHKKDHZZBBX-UHFFFAOYSA-N -1 3 386.304 3.467 20 10 GGCDHM COC(=O)CN(Cc1cncc(Br)c1)Cc1cc(Cl)ccc1[O-] ZINC000171938195 1425857008 /nfs/dbraw/zinc/85/70/08/1425857008.db2.gz BXIOSCKODQQODV-UHFFFAOYSA-N -1 3 399.672 3.378 20 10 GGCDHM Oc1cc2c(cc1CN1CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C1)CCCC2 ZINC000826510634 1427038167 /nfs/dbraw/zinc/03/81/67/1427038167.db2.gz BROJUAIQMFSNSZ-OAQYLSRUSA-N -1 3 391.475 3.025 20 10 GGCDHM Cc1ccc(C(C)(C)CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000174506172 1427190638 /nfs/dbraw/zinc/19/06/38/1427190638.db2.gz JSIWPUDOUSBRNV-UHFFFAOYSA-N -1 3 390.505 3.122 20 10 GGCDHM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(O)cc1[O-] ZINC000175292475 1427651744 /nfs/dbraw/zinc/65/17/44/1427651744.db2.gz UVWXXQQCMBSSEA-GFCCVEGCSA-N -1 3 378.375 3.098 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCCN(C(=O)c3ccccc3F)CC2)c1[O-] ZINC000175577175 1427820039 /nfs/dbraw/zinc/82/00/39/1427820039.db2.gz OBNXRNJGMLDJHF-UHFFFAOYSA-N -1 3 388.414 3.221 20 10 GGCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1c(F)cccc1Cl ZINC000175860710 1427938232 /nfs/dbraw/zinc/93/82/32/1427938232.db2.gz KANSZTCJLLPPFN-VIFPVBQESA-N -1 3 386.832 3.047 20 10 GGCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000180711051 1429992620 /nfs/dbraw/zinc/99/26/20/1429992620.db2.gz MYNHVKHGPOIZEC-IEBWSBKVSA-N -1 3 392.293 3.479 20 10 GGCDHM COC(=O)CN(Cc1nnc(C2CC2)n1C1CC1)Cc1cc(Cl)ccc1[O-] ZINC000181462123 1430304891 /nfs/dbraw/zinc/30/48/91/1430304891.db2.gz YJPKZHBSGRFOFK-UHFFFAOYSA-N -1 3 390.871 3.025 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCC(O)(c3c(F)cccc3F)CC2)c1[O-] ZINC000186504984 1431439761 /nfs/dbraw/zinc/43/97/61/1431439761.db2.gz OJHGDRGWHPTWNY-UHFFFAOYSA-N -1 3 379.378 3.496 20 10 GGCDHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C)c(O)c(C)c3C)cc2C[C@H]1C ZINC000187062216 1431602591 /nfs/dbraw/zinc/60/25/91/1431602591.db2.gz GMAUXXLCYUDPKW-GFCCVEGCSA-N -1 3 388.489 3.416 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC3(CCCCC3)CC2)c1 ZINC000188797000 1431979295 /nfs/dbraw/zinc/97/92/95/1431979295.db2.gz BLIBSYZPXRGHEA-UHFFFAOYSA-N -1 3 380.510 3.340 20 10 GGCDHM O=C(c1cccc(O)c1[O-])N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000193087268 1432934254 /nfs/dbraw/zinc/93/42/54/1432934254.db2.gz DOHVEZHYVJSKHI-UHFFFAOYSA-N -1 3 394.471 3.141 20 10 GGCDHM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(O)c1[O-] ZINC000193104870 1432936486 /nfs/dbraw/zinc/93/64/86/1432936486.db2.gz DZUVBVUHHSPREF-GFCCVEGCSA-N -1 3 378.375 3.098 20 10 GGCDHM O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1cccc(O)c1[O-] ZINC000193164964 1432948660 /nfs/dbraw/zinc/94/86/60/1432948660.db2.gz ZLYSDTZBERSXDW-UHFFFAOYSA-N -1 3 378.432 3.259 20 10 GGCDHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1 ZINC000265762613 1434263204 /nfs/dbraw/zinc/26/32/04/1434263204.db2.gz MCUSAOLODUEITA-UHFFFAOYSA-N -1 3 398.506 3.043 20 10 GGCDHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1 ZINC000267981355 1434483359 /nfs/dbraw/zinc/48/33/59/1434483359.db2.gz GEWCNCZIEXFVBI-UHFFFAOYSA-N -1 3 393.461 3.177 20 10 GGCDHM Cc1ccc([C@H](C)N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1 ZINC000271174306 1434806379 /nfs/dbraw/zinc/80/63/79/1434806379.db2.gz ARVAMLRRGPNUSB-AWEZNQCLSA-N -1 3 376.478 3.214 20 10 GGCDHM C[C@@H](NCc1cc(F)ccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273562315 1434996898 /nfs/dbraw/zinc/99/68/98/1434996898.db2.gz ILMKVEKBEATXPJ-CYBMUJFWSA-N -1 3 375.400 3.127 20 10 GGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)ccc1O ZINC000274312175 1435060468 /nfs/dbraw/zinc/06/04/68/1435060468.db2.gz GBDMGTVVNJWSPD-ZDUSSCGKSA-N -1 3 381.425 3.056 20 10 GGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000274312220 1435060474 /nfs/dbraw/zinc/06/04/74/1435060474.db2.gz GFCYNDCSYYAHJY-CYBMUJFWSA-N -1 3 381.425 3.056 20 10 GGCDHM COCCN1C(=O)CCc2cc(N[C@@H](C)c3cc(C(=O)OC)ccc3[O-])ccc21 ZINC000275143708 1435119022 /nfs/dbraw/zinc/11/90/22/1435119022.db2.gz SKMZWWRSYSVFEG-AWEZNQCLSA-N -1 3 398.459 3.278 20 10 GGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000276774490 1435231327 /nfs/dbraw/zinc/23/13/27/1435231327.db2.gz BJMVTACCVXDQQI-ZDUSSCGKSA-N -1 3 395.452 3.310 20 10 GGCDHM CCOc1cc2c(cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-])OCCO2 ZINC000278128284 1435362468 /nfs/dbraw/zinc/36/24/68/1435362468.db2.gz BWNBCLGVDYROPB-UHFFFAOYSA-N -1 3 376.365 3.091 20 10 GGCDHM CCOc1ccc(C(=O)N(C)C)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278609003 1435405221 /nfs/dbraw/zinc/40/52/21/1435405221.db2.gz DPJCTHTWJWNYFX-UHFFFAOYSA-N -1 3 389.408 3.022 20 10 GGCDHM CC(=O)c1cc(F)cc(CN[C@H](CO)c2ccccc2OC(F)(F)F)c1[O-] ZINC000280316566 1435634511 /nfs/dbraw/zinc/63/45/11/1435634511.db2.gz GTFVEQIRWDNVSY-OAHLLOKOSA-N -1 3 387.329 3.456 20 10 GGCDHM CCCOc1ccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)c(O)c1 ZINC000282709856 1435857415 /nfs/dbraw/zinc/85/74/15/1435857415.db2.gz BAXZRPPTOXWSHK-UHFFFAOYSA-N -1 3 380.466 3.173 20 10 GGCDHM CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821110213 1441428718 /nfs/dbraw/zinc/42/87/18/1441428718.db2.gz YDODRLXCCWGIKN-ZDUSSCGKSA-N -1 3 398.467 3.021 20 10 GGCDHM Cc1cc(Br)cc(C[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1[O-] ZINC000826256542 1443614302 /nfs/dbraw/zinc/61/43/02/1443614302.db2.gz ORNFTJJDRKZDRL-NSHDSACASA-N -1 3 388.269 3.494 20 10 GGCDHM [O-]c1ccccc1C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738400015 1449955566 /nfs/dbraw/zinc/95/55/66/1449955566.db2.gz AIONRJHWGNKNQM-UHFFFAOYSA-N -1 3 387.443 3.441 20 10 GGCDHM CCOc1ccc(C[NH+]2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)c([O-])c1 ZINC000825639235 1450329032 /nfs/dbraw/zinc/32/90/32/1450329032.db2.gz VMCHQRGBUHLYIA-UHFFFAOYSA-N -1 3 395.463 3.014 20 10 GGCDHM CCOc1ccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000825642840 947266700 /nfs/dbraw/zinc/26/67/00/947266700.db2.gz CHTZECBKHRKCOD-UHFFFAOYSA-N -1 3 389.872 3.232 20 10 GGCDHM CCOc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000825642840 947266708 /nfs/dbraw/zinc/26/67/08/947266708.db2.gz CHTZECBKHRKCOD-UHFFFAOYSA-N -1 3 389.872 3.232 20 10 GGCDHM CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001588674327 960528753 /nfs/dbraw/zinc/52/87/53/960528753.db2.gz BEAZXYZJNHPLPH-AWEZNQCLSA-N -1 3 396.459 3.065 20 10 GGCDHM CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001588674327 960528770 /nfs/dbraw/zinc/52/87/70/960528770.db2.gz BEAZXYZJNHPLPH-AWEZNQCLSA-N -1 3 396.459 3.065 20 10 GGCDHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1ccc(N(C)C)cc1)CC2 ZINC000846261929 979431888 /nfs/dbraw/zinc/43/18/88/979431888.db2.gz SPAZBQQKMACOMR-IBGZPJMESA-N -1 3 384.476 3.344 20 10 GGCDHM CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001595278239 980310014 /nfs/dbraw/zinc/31/00/14/980310014.db2.gz CAULUIWTKHEJNW-BUKVSMQUSA-N -1 3 398.503 3.421 20 10 GGCDHM O=C([O-])[C@H](CC(F)(F)F)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000901777963 980508502 /nfs/dbraw/zinc/50/85/02/980508502.db2.gz CCWUZJVHITVPHF-LBPRGKRZSA-N -1 3 375.347 3.080 20 10 GGCDHM COc1ccc([C@H](NCc2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1Cl ZINC000901849258 980574477 /nfs/dbraw/zinc/57/44/77/980574477.db2.gz QGDLIQPSMPAJMS-IBGZPJMESA-N -1 3 390.867 3.101 20 10 GGCDHM CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(=O)[O-])ccc2Cl)N(C)C)cc1 ZINC000908352726 981306917 /nfs/dbraw/zinc/30/69/17/981306917.db2.gz SMLORYVQRQNHKZ-GOSISDBHSA-N -1 3 389.883 3.137 20 10 GGCDHM CCCCN(Cc1c(O)c(C(=O)[O-])cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC001595749253 982421906 /nfs/dbraw/zinc/42/19/06/982421906.db2.gz UPWZPPBEPOMLBY-OAHLLOKOSA-N -1 3 391.489 3.033 20 10 GGCDHM CCN(C)c1ccc(CN2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])cc1 ZINC001596194919 983578111 /nfs/dbraw/zinc/57/81/11/983578111.db2.gz XNEQFWDHPLKIET-SFHVURJKSA-N -1 3 391.512 3.039 20 10 GGCDHM CN(C)c1ccc(/C=C\CN[C@@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)cc1 ZINC001598314414 991296970 /nfs/dbraw/zinc/29/69/70/991296970.db2.gz RQPYKKKUHIZVCO-HZQHCPKGSA-N -1 3 379.460 3.007 20 10 GGCDHM C[C@@H](N[C@H](C)c1ccccc1OCC(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC001593204372 994200530 /nfs/dbraw/zinc/20/05/30/994200530.db2.gz QMHOTCGFNSMKMF-IAGOWNOFSA-N -1 3 384.476 3.398 20 10 GGCDHM C[C@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246416 994451884 /nfs/dbraw/zinc/45/18/84/994451884.db2.gz LALMVYMPWKHTSQ-QFYYESIMSA-N -1 3 385.338 3.373 20 10 GGCDHM C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593250851 994489660 /nfs/dbraw/zinc/48/96/60/994489660.db2.gz AMKDWXQZWDBMBM-AWEZNQCLSA-N -1 3 399.443 3.218 20 10 GGCDHM C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257437 994528681 /nfs/dbraw/zinc/52/86/81/994528681.db2.gz NQLWSZLBJCLDEQ-UONOGXRCSA-N -1 3 378.469 3.388 20 10 GGCDHM C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265793 994576176 /nfs/dbraw/zinc/57/61/76/994576176.db2.gz XJZHZPJWIDFYMP-KGLIPLIRSA-N -1 3 378.469 3.388 20 10 GGCDHM C[C@@H](Oc1ccccc1CN(Cc1ccccc1O)C[C@H]1CCCO1)C(=O)[O-] ZINC001593645192 995971693 /nfs/dbraw/zinc/97/16/93/995971693.db2.gz QDRHNOLWWJBUFB-VQIMIIECSA-N -1 3 385.460 3.425 20 10 GGCDHM COc1cc(Cl)cc(C[N@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1[O-] ZINC001599420663 997589363 /nfs/dbraw/zinc/58/93/63/997589363.db2.gz NXDQQAAFIULWNM-JKSUJKDBSA-N -1 3 377.824 3.060 20 10 GGCDHM COc1cc(Cl)cc(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1[O-] ZINC001599420663 997589370 /nfs/dbraw/zinc/58/93/70/997589370.db2.gz NXDQQAAFIULWNM-JKSUJKDBSA-N -1 3 377.824 3.060 20 10 GGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1C ZINC000012972328 221250391 /nfs/dbraw/zinc/25/03/91/221250391.db2.gz GIFPHCPTTVKSJJ-UHFFFAOYSA-N -1 3 388.898 3.129 20 10 GGCDHM C[C@@H](C[S@@](C)=O)N(C)Cc1cc(Br)cc(Br)c1[O-] ZINC000131037944 564699038 /nfs/dbraw/zinc/69/90/38/564699038.db2.gz AQELRGZKUSFZKO-ASCAZGACSA-N -1 3 399.148 3.116 20 10 GGCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000012846696 564271670 /nfs/dbraw/zinc/27/16/70/564271670.db2.gz DPRVPGRUJMZEOE-UHFFFAOYSA-N -1 3 395.289 3.166 20 10 GGCDHM O=C(C1CC1)N1CCN(Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000023732264 564326247 /nfs/dbraw/zinc/32/62/47/564326247.db2.gz RQHAMDHACMEUIP-UHFFFAOYSA-N -1 3 389.293 3.362 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1C ZINC000055668468 564628728 /nfs/dbraw/zinc/62/87/28/564628728.db2.gz QSHXYKCNTUFFLW-UHFFFAOYSA-N -1 3 386.470 3.005 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1C ZINC000055668583 564628762 /nfs/dbraw/zinc/62/87/62/564628762.db2.gz XRJZCFCURMRSSD-UHFFFAOYSA-N -1 3 382.507 3.174 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCc1cnn(C)c1C ZINC000129770166 564660238 /nfs/dbraw/zinc/66/02/38/564660238.db2.gz IZUUDUKLYIJDHB-UHFFFAOYSA-N -1 3 380.286 3.178 20 10 GGCDHM Cc1cc(Br)cc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1[O-] ZINC000154996641 565059192 /nfs/dbraw/zinc/05/91/92/565059192.db2.gz WJVSNJFVGRIBSX-MRXNPFEDSA-N -1 3 398.322 3.339 20 10 GGCDHM Cc1cc(CNCc2cc(Br)cc(C)c2[O-])nc(N2CCCC2)n1 ZINC000292823086 565135810 /nfs/dbraw/zinc/13/58/10/565135810.db2.gz QEZAULDZJATTIG-UHFFFAOYSA-N -1 3 391.313 3.452 20 10 GGCDHM COc1cc(Cl)cc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000184702408 565153076 /nfs/dbraw/zinc/15/30/76/565153076.db2.gz XWVKFNDMYSXUEG-CABCVRRESA-N -1 3 383.897 3.440 20 10 GGCDHM C[C@@H](NCc1cccnc1N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000184986059 565169389 /nfs/dbraw/zinc/16/93/89/565169389.db2.gz VYJLEJUTIOIGPU-CYBMUJFWSA-N -1 3 392.297 3.237 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)c1nc(N)nc(Cl)n1 ZINC000294875161 565233743 /nfs/dbraw/zinc/23/37/43/565233743.db2.gz FBTPQGDWZWLKFR-QMMMGPOBSA-N -1 3 386.681 3.158 20 10 GGCDHM CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(Br)ccc1[O-] ZINC000271210142 565242702 /nfs/dbraw/zinc/24/27/02/565242702.db2.gz UIDQNUYOGACFNQ-UHFFFAOYSA-N -1 3 384.295 3.190 20 10 GGCDHM C[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(Br)ccc1[O-] ZINC000186262161 565251102 /nfs/dbraw/zinc/25/11/02/565251102.db2.gz PVZSZXOEAGAAOE-GFCCVEGCSA-N -1 3 390.281 3.264 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1ccc(O)c(OC)c1 ZINC000295386496 565263721 /nfs/dbraw/zinc/26/37/21/565263721.db2.gz SRWXDKLVSAAVDK-UHFFFAOYSA-N -1 3 394.265 3.460 20 10 GGCDHM Cc1cc(Br)cc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)c1[O-] ZINC000271778350 565267112 /nfs/dbraw/zinc/26/71/12/565267112.db2.gz HHCONSOPGLPSGH-UHFFFAOYSA-N -1 3 398.322 3.499 20 10 GGCDHM COCCOc1ncccc1CN[C@@H](C)c1cc(Br)ccc1[O-] ZINC000273431192 565320082 /nfs/dbraw/zinc/32/00/82/565320082.db2.gz VSYWTBHTZBXMDY-LBPRGKRZSA-N -1 3 381.270 3.426 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1ncncc1OC ZINC000297449492 565373080 /nfs/dbraw/zinc/37/30/80/565373080.db2.gz OZUWANBFSWHCDU-UHFFFAOYSA-N -1 3 381.230 3.007 20 10 GGCDHM CCc1cc(N(CC)Cc2cc(Br)ccc2[O-])n2ncnc2n1 ZINC000301878791 565515905 /nfs/dbraw/zinc/51/59/05/565515905.db2.gz OPYIGMUAUQBBAY-UHFFFAOYSA-N -1 3 376.258 3.181 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1c(C)nn(C)c1C ZINC000173491435 565562153 /nfs/dbraw/zinc/56/21/53/565562153.db2.gz OELWFTJOKNJAFK-UHFFFAOYSA-N -1 3 395.301 3.237 20 10 GGCDHM COc1c([O-])c(CNc2ccc(Cl)c(C[S@](C)=O)c2)ccc1[N+](=O)[O-] ZINC000278497118 565562403 /nfs/dbraw/zinc/56/24/03/565562403.db2.gz MSZKTKMKVOIGHX-VWLOTQADSA-N -1 3 384.841 3.453 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1cccnc1OC ZINC000173778733 565584803 /nfs/dbraw/zinc/58/48/03/565584803.db2.gz ZZOMUUCRMPPQDQ-UHFFFAOYSA-N -1 3 394.269 3.290 20 10 GGCDHM COc1c([O-])c(CN[C@@H](C)c2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000279682014 565626592 /nfs/dbraw/zinc/62/65/92/565626592.db2.gz JCHUNWCVOODWGC-VIFPVBQESA-N -1 3 382.214 3.317 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1c(C)noc1C ZINC000174344344 565629318 /nfs/dbraw/zinc/62/93/18/565629318.db2.gz YLYJXDKWJOVIMT-UHFFFAOYSA-N -1 3 382.258 3.491 20 10 GGCDHM CCN(Cc1noc(C2CCOCC2)n1)Cc1cc(Br)ccc1[O-] ZINC000174425690 565634506 /nfs/dbraw/zinc/63/45/06/565634506.db2.gz KKEXXQWRGUUNOC-UHFFFAOYSA-N -1 3 396.285 3.454 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCCc1cnn(C)c1 ZINC000174619083 565646993 /nfs/dbraw/zinc/64/69/93/565646993.db2.gz XIJFGQXVNSZWKM-UHFFFAOYSA-N -1 3 395.301 3.053 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1ccn(CCOC)n1 ZINC000175919170 565733455 /nfs/dbraw/zinc/73/34/55/565733455.db2.gz CRGHQMVBTHYZQO-UHFFFAOYSA-N -1 3 397.273 3.052 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000282845277 565798959 /nfs/dbraw/zinc/79/89/59/565798959.db2.gz SRWCJAZDRJESHS-GFCCVEGCSA-N -1 3 392.297 3.042 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1scnc1COC ZINC000284687698 565866131 /nfs/dbraw/zinc/86/61/31/565866131.db2.gz CGHURSYJEFSAOJ-UHFFFAOYSA-N -1 3 385.283 3.420 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnc(COC)s1 ZINC000285696547 565921619 /nfs/dbraw/zinc/92/16/19/565921619.db2.gz OPMUOKNYDROUKN-UHFFFAOYSA-N -1 3 385.283 3.420 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@@H]1CCOC[C@H]1C ZINC000287709211 566035855 /nfs/dbraw/zinc/03/58/55/566035855.db2.gz BOXIFHVLNRYEBP-OLZOCXBDSA-N -1 3 385.302 3.359 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@@H]1CCOC[C@@H]1C ZINC000287709223 566036192 /nfs/dbraw/zinc/03/61/92/566036192.db2.gz BOXIFHVLNRYEBP-STQMWFEESA-N -1 3 385.302 3.359 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000364911697 566075881 /nfs/dbraw/zinc/07/58/81/566075881.db2.gz YTBFLIYEGJRLDE-OAHLLOKOSA-N -1 3 380.853 3.004 20 10 GGCDHM CC(C)N(C)S(=O)(=O)c1ccc(CNCc2cccc(Cl)c2[O-])cc1 ZINC000180821347 566091530 /nfs/dbraw/zinc/09/15/30/566091530.db2.gz ONUNKAWJPZXWDV-UHFFFAOYSA-N -1 3 382.913 3.364 20 10 GGCDHM Cc1cc(Br)cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000289786768 566140911 /nfs/dbraw/zinc/14/09/11/566140911.db2.gz RVTNLIRZZVBBSI-DGCLKSJQSA-N -1 3 382.220 3.456 20 10 GGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1c1nc2c(s1)CSCC2 ZINC000367658769 566211219 /nfs/dbraw/zinc/21/12/19/566211219.db2.gz QYUGJFKEBQSQMG-UHFFFAOYSA-N -1 3 395.893 3.260 20 10 GGCDHM O=S(=O)(c1ccc(CNCc2c([O-])cccc2Cl)cc1)N1CCCC1 ZINC000264937108 566228267 /nfs/dbraw/zinc/22/82/67/566228267.db2.gz DONIJJYTXBKBAH-UHFFFAOYSA-N -1 3 380.897 3.120 20 10 GGCDHM CC(C)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Cc1ccccc1 ZINC000170605704 570863461 /nfs/dbraw/zinc/86/34/61/570863461.db2.gz CAKQPIYRXBZGOF-MRXNPFEDSA-N -1 3 390.505 3.008 20 10 GGCDHM CCO[C@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C12CCC2 ZINC000170614013 570871250 /nfs/dbraw/zinc/87/12/50/570871250.db2.gz QUFCUBPKBKKAEJ-HOTGVXAUSA-N -1 3 378.856 3.158 20 10 GGCDHM Cc1cc(N(C)C)ccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737270636 599064500 /nfs/dbraw/zinc/06/45/00/599064500.db2.gz NQWKUTNWOVQAFQ-UHFFFAOYSA-N -1 3 377.374 3.267 20 10 GGCDHM Cc1cc(N(C)C)ccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737270636 599064502 /nfs/dbraw/zinc/06/45/02/599064502.db2.gz NQWKUTNWOVQAFQ-UHFFFAOYSA-N -1 3 377.374 3.267 20 10 GGCDHM Cc1cc(C(=O)N(C)c2nccs2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227740 598589559 /nfs/dbraw/zinc/58/95/59/598589559.db2.gz QLNZFCUGWZCAHO-UHFFFAOYSA-N -1 3 379.449 3.007 20 10 GGCDHM Cc1cc(C(=O)NC[C@@H]2Cc3ccccc32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235220 598610714 /nfs/dbraw/zinc/61/07/14/598610714.db2.gz RDVGWVXNWNMPKG-SFHVURJKSA-N -1 3 398.470 3.344 20 10 GGCDHM CN(C)c1ccc(CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000736773860 598629374 /nfs/dbraw/zinc/62/93/74/598629374.db2.gz QVWWOWRAZLNIBV-UHFFFAOYSA-N -1 3 395.442 3.268 20 10 GGCDHM CN(C)c1ccc(CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000736773860 598629375 /nfs/dbraw/zinc/62/93/75/598629375.db2.gz QVWWOWRAZLNIBV-UHFFFAOYSA-N -1 3 395.442 3.268 20 10 GGCDHM CCCN(Cc1ccccc1O)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736478667 598699836 /nfs/dbraw/zinc/69/98/36/598699836.db2.gz CIRQGYTWBSOMPG-UHFFFAOYSA-N -1 3 383.477 3.103 20 10 GGCDHM CCCN(Cc1ccccc1O)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736478667 598699838 /nfs/dbraw/zinc/69/98/38/598699838.db2.gz CIRQGYTWBSOMPG-UHFFFAOYSA-N -1 3 383.477 3.103 20 10 GGCDHM O=C(NCc1ccccc1O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738124419 598700947 /nfs/dbraw/zinc/70/09/47/598700947.db2.gz QWSKADSXCZXRKH-UHFFFAOYSA-N -1 3 387.399 3.295 20 10 GGCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737106631 598780691 /nfs/dbraw/zinc/78/06/91/598780691.db2.gz WLJMIQHRJRACKN-SECBINFHSA-N -1 3 388.815 3.117 20 10 GGCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737106631 598780693 /nfs/dbraw/zinc/78/06/93/598780693.db2.gz WLJMIQHRJRACKN-SECBINFHSA-N -1 3 388.815 3.117 20 10 GGCDHM Cc1cc(C(=O)N2CCS[C@H](C)[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232966 599303977 /nfs/dbraw/zinc/30/39/77/599303977.db2.gz GGFAGNLTUQYTMJ-DZGCQCFKSA-N -1 3 396.520 3.240 20 10 GGCDHM O=C(NCc1ccccc1O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738124437 599605012 /nfs/dbraw/zinc/60/50/12/599605012.db2.gz RAVPCVFLYPTTIX-UHFFFAOYSA-N -1 3 386.415 3.246 20 10 GGCDHM Cc1nc(CN2CCN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)oc1C ZINC000738859173 599955278 /nfs/dbraw/zinc/95/52/78/599955278.db2.gz UYMXSWNEZOWQCR-UHFFFAOYSA-N -1 3 395.459 3.166 20 10 GGCDHM COC(=O)c1cc2ccccc2c(C[N@H+](CCC(=O)[O-])Cc2ccncc2)c1[O-] ZINC000831353084 601560306 /nfs/dbraw/zinc/56/03/06/601560306.db2.gz AUZZDGNOCQHTEG-UHFFFAOYSA-N -1 3 394.427 3.204 20 10 GGCDHM COC(=O)c1cc2ccccc2c(C[N@@H+](CCC(=O)[O-])Cc2ccncc2)c1[O-] ZINC000831353084 601560307 /nfs/dbraw/zinc/56/03/07/601560307.db2.gz AUZZDGNOCQHTEG-UHFFFAOYSA-N -1 3 394.427 3.204 20 10 GGCDHM C[C@H](Oc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000833537572 604519045 /nfs/dbraw/zinc/51/90/45/604519045.db2.gz LSGOSSHBSACMGP-OXJNMPFZSA-N -1 3 385.460 3.425 20 10 GGCDHM C[C@H](Oc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000833537572 604519048 /nfs/dbraw/zinc/51/90/48/604519048.db2.gz LSGOSSHBSACMGP-OXJNMPFZSA-N -1 3 385.460 3.425 20 10 GGCDHM CN(Cc1ccc(N2CCOCC2)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694949 604675852 /nfs/dbraw/zinc/67/58/52/604675852.db2.gz FUUQOMZHVJVZNJ-IBGZPJMESA-N -1 3 394.393 3.198 20 10 GGCDHM COc1cc(Br)cc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1[O-] ZINC000831861359 604680826 /nfs/dbraw/zinc/68/08/26/604680826.db2.gz WXOPBPLWKBTIDC-GDLCADMTSA-N -1 3 384.270 3.381 20 10 GGCDHM COc1cc(Br)cc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1[O-] ZINC000831861359 604680830 /nfs/dbraw/zinc/68/08/30/604680830.db2.gz WXOPBPLWKBTIDC-GDLCADMTSA-N -1 3 384.270 3.381 20 10 GGCDHM CN(C)c1ccc(CN(C)C(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000833694783 605176702 /nfs/dbraw/zinc/17/67/02/605176702.db2.gz CWLCQNCYALLLDA-OAQYLSRUSA-N -1 3 397.519 3.153 20 10 GGCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1c1ccccc1F ZINC000823505155 606394640 /nfs/dbraw/zinc/39/46/40/606394640.db2.gz YDPRCLOEYHUZSP-KPKJPENVSA-N -1 3 389.462 3.473 20 10 GGCDHM CC(C)(C)c1cnc(SC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819965862 607120131 /nfs/dbraw/zinc/12/01/31/607120131.db2.gz PXOWQDDCAVJWOP-GFCCVEGCSA-N -1 3 391.522 3.153 20 10 GGCDHM Cc1cc(C(=O)N(C)CCOC(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168781 607166708 /nfs/dbraw/zinc/16/67/08/607166708.db2.gz SCRKQCATLWJQOU-UHFFFAOYSA-N -1 3 396.495 3.161 20 10 GGCDHM CC[C@H](CSC)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825119934 608335808 /nfs/dbraw/zinc/33/58/08/608335808.db2.gz GQBPWPHVJBKHHK-MRXNPFEDSA-N -1 3 398.536 3.488 20 10 GGCDHM CC(C)Oc1cccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000055258742 1406915357 /nfs/dbraw/zinc/91/53/57/1406915357.db2.gz QETLRLBXRKCNKV-CYBMUJFWSA-N -1 3 392.477 3.042 20 10 GGCDHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000023398047 1399556748 /nfs/dbraw/zinc/55/67/48/1399556748.db2.gz QFJBVSAYJYLDQL-UHFFFAOYSA-N -1 3 382.507 3.156 20 10 GGCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1C ZINC000055668478 1407048469 /nfs/dbraw/zinc/04/84/69/1407048469.db2.gz AGMLMNODUBQPNQ-UHFFFAOYSA-N -1 3 394.518 3.046 20 10 GGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)c(C)c1 ZINC000028257122 1400144000 /nfs/dbraw/zinc/14/40/00/1400144000.db2.gz YTQHXOKIRVHUPH-UHFFFAOYSA-N -1 3 388.898 3.129 20 10 GGCDHM COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3ccc(Cl)s3)C2)cc1 ZINC000062575196 1408279817 /nfs/dbraw/zinc/27/98/17/1408279817.db2.gz YEGXLKKIRAKCAU-LBPRGKRZSA-N -1 3 386.926 3.215 20 10 GGCDHM CCc1cccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 ZINC000176440500 1428320362 /nfs/dbraw/zinc/32/03/62/1428320362.db2.gz MBEXGYRZRKPZMJ-UHFFFAOYSA-N -1 3 388.898 3.075 20 10 GGCDHM COc1ccc(CCC(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000092534262 1410167470 /nfs/dbraw/zinc/16/74/70/1410167470.db2.gz ZSHLOABOEUHYQW-UHFFFAOYSA-N -1 3 388.895 3.331 20 10 GGCDHM C[C@H](c1cccnc1)N1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093413414 1410243888 /nfs/dbraw/zinc/24/38/88/1410243888.db2.gz UPMZVQPCJIWNJJ-CQSZACIVSA-N -1 3 376.298 3.429 20 10 GGCDHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093923171 1410285459 /nfs/dbraw/zinc/28/54/59/1410285459.db2.gz OEUSRQNMHZTDPG-LBPRGKRZSA-N -1 3 388.445 3.343 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000093928752 1410286218 /nfs/dbraw/zinc/28/62/18/1410286218.db2.gz SCWCUIOZHJPGCI-UHFFFAOYSA-N -1 3 394.880 3.222 20 10 GGCDHM CCc1ccc(CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C2CC2)cc1 ZINC000093928925 1410286374 /nfs/dbraw/zinc/28/63/74/1410286374.db2.gz SZMBLMDVAAUXKG-UHFFFAOYSA-N -1 3 388.489 3.131 20 10 GGCDHM C[C@H](c1ccccc1Cl)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093929849 1410286887 /nfs/dbraw/zinc/28/68/87/1410286887.db2.gz MGTNGHWGRUHSHD-LLVKDONJSA-N -1 3 382.869 3.250 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000094031653 1410294942 /nfs/dbraw/zinc/29/49/42/1410294942.db2.gz USUQYOYYGQQWEQ-MRXNPFEDSA-N -1 3 394.880 3.394 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000094062690 1410300967 /nfs/dbraw/zinc/30/09/67/1410300967.db2.gz SEMDNASJCYUXGN-SFHVURJKSA-N -1 3 386.473 3.056 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000094120545 1410304826 /nfs/dbraw/zinc/30/48/26/1410304826.db2.gz IOYBOOFWCDPYEX-SFHVURJKSA-N -1 3 392.452 3.174 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2c2ccco2)c1 ZINC000094158948 1410308606 /nfs/dbraw/zinc/30/86/06/1410308606.db2.gz PEHXHYWYSFRGPW-HNNXBMFYSA-N -1 3 378.450 3.114 20 10 GGCDHM Cc1ccc([C@@H]2CCCCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1 ZINC000094166791 1410309527 /nfs/dbraw/zinc/30/95/27/1410309527.db2.gz GRHCMRNQQGZHJV-INIZCTEOSA-N -1 3 392.477 3.423 20 10 GGCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2ccc(OCCOc3ccccc3)nc2)c1 ZINC000101593627 1410474523 /nfs/dbraw/zinc/47/45/23/1410474523.db2.gz XEQLAYRJJQNQGU-UHFFFAOYSA-N -1 3 395.415 3.443 20 10 GGCDHM CN(CCc1cccc2ccccc21)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000101673400 1410489471 /nfs/dbraw/zinc/48/94/71/1410489471.db2.gz KPJKQQXDYUIOSL-UHFFFAOYSA-N -1 3 398.484 3.232 20 10 GGCDHM COC(=O)CN(CC(=O)Nc1ccccc1Cl)Cc1cc(Cl)ccc1[O-] ZINC000109779717 1411809403 /nfs/dbraw/zinc/80/94/03/1411809403.db2.gz WJGZERICKAPXDO-UHFFFAOYSA-N -1 3 397.258 3.313 20 10 GGCDHM O=C1[C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])CCN1c1ccc(C(F)(F)F)cc1 ZINC000113960557 1412359597 /nfs/dbraw/zinc/35/95/97/1412359597.db2.gz PNIZZWAFGBPZFN-HNNXBMFYSA-N -1 3 395.337 3.214 20 10 GGCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1[O-] ZINC000177247634 1428650499 /nfs/dbraw/zinc/65/04/99/1428650499.db2.gz GEYZKYQUQSFXQH-LBPRGKRZSA-N -1 3 379.453 3.330 20 10 GGCDHM CC(=O)c1cc(Cl)cc(CN[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1[O-] ZINC000177390661 1428715349 /nfs/dbraw/zinc/71/53/49/1428715349.db2.gz OMCYHXHDACWMSO-GOSISDBHSA-N -1 3 381.259 3.392 20 10 GGCDHM O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000121697912 1414227389 /nfs/dbraw/zinc/22/73/89/1414227389.db2.gz VIBBYLBPCYFWHJ-UHFFFAOYSA-N -1 3 398.887 3.081 20 10 GGCDHM COC(=O)CN(Cc1c(Cl)nc(Cl)n1C)Cc1cc(Cl)ccc1[O-] ZINC000123218053 1414670868 /nfs/dbraw/zinc/67/08/68/1414670868.db2.gz ITAJCJWMLYVFTQ-UHFFFAOYSA-N -1 3 392.670 3.261 20 10 GGCDHM COC(=O)CN(Cc1csc([C@@H](C)OC)n1)Cc1cc(Cl)ccc1[O-] ZINC000177677042 1428831343 /nfs/dbraw/zinc/83/13/43/1428831343.db2.gz FDCJJVMWYLEGAC-LLVKDONJSA-N -1 3 384.885 3.385 20 10 GGCDHM Cc1nc(CN2CCN(Cc3cc(Br)ccc3[O-])CC2)cs1 ZINC000123929739 1414851560 /nfs/dbraw/zinc/85/15/60/1414851560.db2.gz AEOYUVDXNZBZPU-UHFFFAOYSA-N -1 3 382.327 3.237 20 10 GGCDHM CCc1ncsc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000124188159 1414903798 /nfs/dbraw/zinc/90/37/98/1414903798.db2.gz VLEDSVKPIGIXRK-AWEZNQCLSA-N -1 3 379.913 3.459 20 10 GGCDHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000131754746 1416612908 /nfs/dbraw/zinc/61/29/08/1416612908.db2.gz IIAASNSIGFQZOJ-GJZGRUSLSA-N -1 3 388.489 3.090 20 10 GGCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1noc2c1CCCC2 ZINC000134266105 1417047115 /nfs/dbraw/zinc/04/71/15/1417047115.db2.gz COISCDKHVVFVDP-OAHLLOKOSA-N -1 3 389.883 3.307 20 10 GGCDHM Cc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000179100054 1429262485 /nfs/dbraw/zinc/26/24/85/1429262485.db2.gz AITGPXLFUFDNID-UHFFFAOYSA-N -1 3 390.487 3.499 20 10 GGCDHM Cc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000179112096 1429265907 /nfs/dbraw/zinc/26/59/07/1429265907.db2.gz ICQREYQMUKZQPK-UHFFFAOYSA-N -1 3 390.487 3.499 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000179387162 1429354166 /nfs/dbraw/zinc/35/41/66/1429354166.db2.gz YIUHZBNBSQVIID-INIZCTEOSA-N -1 3 394.880 3.394 20 10 GGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000179483023 1429389723 /nfs/dbraw/zinc/38/97/23/1429389723.db2.gz SEMDNASJCYUXGN-GOSISDBHSA-N -1 3 386.473 3.056 20 10 GGCDHM CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000179738000 1429530809 /nfs/dbraw/zinc/53/08/09/1429530809.db2.gz SFUXWNULWGRQOM-LLVKDONJSA-N -1 3 385.848 3.300 20 10 GGCDHM CCC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)cc1F ZINC000179801955 1429575246 /nfs/dbraw/zinc/57/52/46/1429575246.db2.gz CTYIIVYTHOJXLQ-MRXNPFEDSA-N -1 3 398.431 3.313 20 10 GGCDHM O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccc([O-])c(F)c1 ZINC000156844253 1423874213 /nfs/dbraw/zinc/87/42/13/1423874213.db2.gz HHOMGPJBNSLAJH-UHFFFAOYSA-N -1 3 375.469 3.084 20 10 GGCDHM COc1cc(OC)cc(C(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC000179996237 1429681131 /nfs/dbraw/zinc/68/11/31/1429681131.db2.gz DLATXHCBZJERES-UHFFFAOYSA-N -1 3 390.867 3.021 20 10 GGCDHM O=S(=O)([N-]CCCSc1nccs1)c1cnc(Cl)c(Cl)c1 ZINC000158912032 1424370494 /nfs/dbraw/zinc/37/04/94/1424370494.db2.gz FUZZJBIJECKRLQ-UHFFFAOYSA-N -1 3 384.335 3.306 20 10 GGCDHM [O-]c1ccccc1C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738401960 1425978354 /nfs/dbraw/zinc/97/83/54/1425978354.db2.gz YEODUJSDHDDXAB-UHFFFAOYSA-N -1 3 387.443 3.441 20 10 GGCDHM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCS[C@H](C(C)C)C2)c1 ZINC000173482119 1426656167 /nfs/dbraw/zinc/65/61/67/1426656167.db2.gz QIOFYNFAIYPJOO-FQEVSTJZSA-N -1 3 392.565 3.000 20 10 GGCDHM O=C(c1nnc2ccccc2c1[O-])N(Cc1ccco1)Cc1ccccc1O ZINC000173673977 1426817108 /nfs/dbraw/zinc/81/71/08/1426817108.db2.gz QPFPGQIWYSCPKM-UHFFFAOYSA-N -1 3 375.384 3.064 20 10 GGCDHM CCN(Cc1cc(Br)ccc1[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000173992817 1426930884 /nfs/dbraw/zinc/93/08/84/1426930884.db2.gz LUIKBSMHLDSDGZ-UHFFFAOYSA-N -1 3 388.265 3.413 20 10 GGCDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC[C@H]1c1ccccc1 ZINC000174232010 1427061600 /nfs/dbraw/zinc/06/16/00/1427061600.db2.gz MFDXMQKPBOIMMP-WMLDXEAASA-N -1 3 388.489 3.030 20 10 GGCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000174687235 1427310267 /nfs/dbraw/zinc/31/02/67/1427310267.db2.gz NGLXCCMWPSMXNN-UHFFFAOYSA-N -1 3 386.470 3.087 20 10 GGCDHM [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738401956 1427371677 /nfs/dbraw/zinc/37/16/77/1427371677.db2.gz YCSJWNJHTRVGOI-UHFFFAOYSA-N -1 3 386.459 3.048 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCCN(C(=O)c3cccc(F)c3)CC2)c1[O-] ZINC000175577213 1427820318 /nfs/dbraw/zinc/82/03/18/1427820318.db2.gz KUGQUIHKROSTBN-UHFFFAOYSA-N -1 3 388.414 3.221 20 10 GGCDHM CCc1nc(CN2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])CC2)cs1 ZINC000175597253 1427826610 /nfs/dbraw/zinc/82/66/10/1427826610.db2.gz JSUVHJXVWZLTOP-UHFFFAOYSA-N -1 3 377.485 3.071 20 10 GGCDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3ccc(Cl)nc3)CC2)c1[O-] ZINC000175680419 1427854832 /nfs/dbraw/zinc/85/48/32/1427854832.db2.gz NHHRFYQKKNYBQQ-UHFFFAOYSA-N -1 3 377.847 3.100 20 10 GGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2nc([C@@H](C)OCC(C)C)no2)c1[O-] ZINC000175785149 1427892088 /nfs/dbraw/zinc/89/20/88/1427892088.db2.gz IHMWKBQLPMOWCH-CYBMUJFWSA-N -1 3 379.432 3.483 20 10 GGCDHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000824530177 1428081992 /nfs/dbraw/zinc/08/19/92/1428081992.db2.gz JPUTYRNDZFUGGJ-HUUCEWRRSA-N -1 3 396.470 3.254 20 10 GGCDHM C[C@@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185146313 1431071984 /nfs/dbraw/zinc/07/19/84/1431071984.db2.gz WUKAGCBTRUSTTD-CYBMUJFWSA-N -1 3 380.485 3.459 20 10 GGCDHM O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc(O)c1[O-] ZINC000187046771 1431599044 /nfs/dbraw/zinc/59/90/44/1431599044.db2.gz FHCJAOITXQTVHL-UHFFFAOYSA-N -1 3 386.411 3.276 20 10 GGCDHM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc(O)c1[O-] ZINC000188130529 1431850702 /nfs/dbraw/zinc/85/07/02/1431850702.db2.gz PRFUJELCZAOCHZ-UHFFFAOYSA-N -1 3 382.338 3.006 20 10 GGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000189424042 1432106386 /nfs/dbraw/zinc/10/63/86/1432106386.db2.gz ZLHXOYQJZRAGJJ-UHFFFAOYSA-N -1 3 375.425 3.389 20 10 GGCDHM O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cccc(O)c1[O-] ZINC000192998732 1432919628 /nfs/dbraw/zinc/91/96/28/1432919628.db2.gz WUDIRHNNORXXRH-UHFFFAOYSA-N -1 3 380.375 3.419 20 10 GGCDHM Cc1cc(C(=O)N(CCN(C)C)CC(=O)[O-])c(C)n1-c1ccc(C(C)C)cc1 ZINC000236787672 1433378848 /nfs/dbraw/zinc/37/88/48/1433378848.db2.gz OZYOVYFUKNLCOD-UHFFFAOYSA-N -1 3 385.508 3.306 20 10 GGCDHM CN1CCO[C@@H]([C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])c2ccc(Cl)cc2)C1 ZINC000245670334 1433497361 /nfs/dbraw/zinc/49/73/61/1433497361.db2.gz CPXQQCBQLDTYJR-MOPGFXCFSA-N -1 3 391.855 3.115 20 10 GGCDHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000271242945 1434810572 /nfs/dbraw/zinc/81/05/72/1434810572.db2.gz FNSUMQHKLWDANY-UHFFFAOYSA-N -1 3 378.450 3.119 20 10 GGCDHM Cc1cc(C(=O)N2CCc3c(=O)[n-]cnc3C2)c(C)n1-c1cccc(Cl)c1 ZINC000273086550 1434959222 /nfs/dbraw/zinc/95/92/22/1434959222.db2.gz BOUPEAVIPRDRGI-UHFFFAOYSA-N -1 3 382.851 3.442 20 10 GGCDHM CCNC(=O)N1CCc2ccc(N[C@H](C)c3cc(C(=O)OC)ccc3[O-])cc21 ZINC000273448062 1434989397 /nfs/dbraw/zinc/98/93/97/1434989397.db2.gz OFALVTHDODEJJP-CYBMUJFWSA-N -1 3 383.448 3.444 20 10 GGCDHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000274925376 1435103769 /nfs/dbraw/zinc/10/37/69/1435103769.db2.gz BVPQCGLRQACQNA-HNNXBMFYSA-N -1 3 383.448 3.080 20 10 GGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(c3nnc4n3CCCC4)CC2)c1[O-] ZINC000274988851 1435107839 /nfs/dbraw/zinc/10/78/39/1435107839.db2.gz YSGFPTWHKGFDOP-UHFFFAOYSA-N -1 3 391.859 3.261 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1 ZINC000275685210 1435159530 /nfs/dbraw/zinc/15/95/30/1435159530.db2.gz IQJACAPFIIGWON-OAHLLOKOSA-N -1 3 397.475 3.020 20 10 GGCDHM COc1c([O-])c(CN2CCC(O)(c3c(F)cccc3F)CC2)ccc1[N+](=O)[O-] ZINC000278395414 1435387137 /nfs/dbraw/zinc/38/71/37/1435387137.db2.gz NGRONTVVHCWALI-UHFFFAOYSA-N -1 3 394.374 3.071 20 10 GGCDHM COc1c([O-])c(CNc2cccc(CN3CCCCC3=O)c2)ccc1[N+](=O)[O-] ZINC000278563449 1435400204 /nfs/dbraw/zinc/40/02/04/1435400204.db2.gz BPVSHMSMUGOQBK-UHFFFAOYSA-N -1 3 385.420 3.434 20 10 GGCDHM COc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1N1CCCC1=O ZINC000278840270 1435429937 /nfs/dbraw/zinc/42/99/37/1435429937.db2.gz JQOGCCCKRDAZPX-UHFFFAOYSA-N -1 3 387.392 3.057 20 10 GGCDHM COc1c([O-])c(CNc2cc(CN3CCOCC3)ccc2C)ccc1[N+](=O)[O-] ZINC000278892008 1435436612 /nfs/dbraw/zinc/43/66/12/1435436612.db2.gz PVJAXJNZNLGBKS-UHFFFAOYSA-N -1 3 387.436 3.062 20 10 GGCDHM Cc1ccc([C@@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)c(C)c1 ZINC000280094441 1435591071 /nfs/dbraw/zinc/59/10/71/1435591071.db2.gz QYKZOOXRRJJNEV-OAHLLOKOSA-N -1 3 388.489 3.010 20 10 GGCDHM CC(=O)c1cc(F)cc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)c1[O-] ZINC000280316564 1435634366 /nfs/dbraw/zinc/63/43/66/1435634366.db2.gz GTFVEQIRWDNVSY-HNNXBMFYSA-N -1 3 387.329 3.456 20 10 GGCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1NC(=O)CN1CCCCC1 ZINC000280744430 1435713291 /nfs/dbraw/zinc/71/32/91/1435713291.db2.gz WRTFUCRRLALLSY-UHFFFAOYSA-N -1 3 383.448 3.083 20 10 GGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(N3C(=O)CCNC3=O)c2C)c1 ZINC000282747901 1435858797 /nfs/dbraw/zinc/85/87/97/1435858797.db2.gz NNXJCJZQXRSWJL-CYBMUJFWSA-N -1 3 397.431 3.107 20 10 GGCDHM Cc1cc(Br)cc(C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c1[O-] ZINC000826256503 1443785224 /nfs/dbraw/zinc/78/52/24/1443785224.db2.gz MKUUDFKPLFHRMN-UHFFFAOYSA-N -1 3 388.269 3.275 20 10 GGCDHM Cc1cc(Br)cc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c1[O-] ZINC000826256503 1443785227 /nfs/dbraw/zinc/78/52/27/1443785227.db2.gz MKUUDFKPLFHRMN-UHFFFAOYSA-N -1 3 388.269 3.275 20 10 GGCDHM Cc1cc(Cl)cc(C[N@@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1[O-] ZINC000826267559 1449012138 /nfs/dbraw/zinc/01/21/38/1449012138.db2.gz KTDOFMJEHRMTSM-UHFFFAOYSA-N -1 3 398.898 3.246 20 10 GGCDHM Cc1cc(Cl)cc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1[O-] ZINC000826267559 1449012141 /nfs/dbraw/zinc/01/21/41/1449012141.db2.gz KTDOFMJEHRMTSM-UHFFFAOYSA-N -1 3 398.898 3.246 20 10 GGCDHM