smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000050888953 521009600 /nfs/dbraw/zinc/00/96/00/521009600.db2.gz HOSISIXVFRZYSO-SECBINFHSA-N -1 3 276.789 2.592 10 0 CFAEHM CC(C)CN(CC(=O)[O-])Cc1cc(F)ccc1F ZINC000062742791 519711935 /nfs/dbraw/zinc/71/19/35/519711935.db2.gz UXKITRHUZNTXHI-UHFFFAOYSA-N -1 3 257.280 2.507 10 0 CFAEHM CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000049560331 519775399 /nfs/dbraw/zinc/77/53/99/519775399.db2.gz OSYLLQOOBYDHOW-LBPRGKRZSA-N -1 3 298.814 2.752 10 0 CFAEHM CCN(Cc1ccccc1Cl)C[C@@H](C)C(=O)[O-] ZINC000061220592 521382029 /nfs/dbraw/zinc/38/20/29/521382029.db2.gz NVTIKUTYICJNAI-SNVBAGLBSA-N -1 3 255.745 2.883 10 0 CFAEHM CCN1CCC[C@@H](Nc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000062795772 521624428 /nfs/dbraw/zinc/62/44/28/521624428.db2.gz CKLIOCSNPIMEAW-LLVKDONJSA-N -1 3 282.771 2.934 10 0 CFAEHM CN1CCC[C@@H](Nc2cc(Cl)ccc2C(=O)[O-])C1 ZINC000062787418 523816983 /nfs/dbraw/zinc/81/69/83/523816983.db2.gz BGGBVXDWJHXSLM-SNVBAGLBSA-N -1 3 268.744 2.544 10 0 CFAEHM Cc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1 ZINC000263005338 524480650 /nfs/dbraw/zinc/48/06/50/524480650.db2.gz PGNWYCRKKCTFCX-VXGBXAGGSA-N -1 3 287.281 2.690 10 0 CFAEHM COc1ccccc1Cc1nc(C)c(C(C)C)c(=O)[n-]1 ZINC000061688303 524516169 /nfs/dbraw/zinc/51/61/69/524516169.db2.gz YUBALALUYAEZJL-UHFFFAOYSA-N -1 3 272.348 2.801 10 0 CFAEHM C[C@@H](CN1CCCC1)n1c(=O)c2ccsc2[n-]c1=S ZINC000049185518 524594878 /nfs/dbraw/zinc/59/48/78/524594878.db2.gz BSEHSBMEQFUYBM-VIFPVBQESA-N -1 3 295.433 2.777 10 0 CFAEHM C[C@H](NS(=O)(=O)c1ccc([O-])cc1)c1ccc(F)cc1 ZINC000049502702 525506345 /nfs/dbraw/zinc/50/63/45/525506345.db2.gz ATJZCTWYWLLMCK-JTQLQIEISA-N -1 3 295.335 2.571 10 0 CFAEHM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccncc1 ZINC000050508547 525654669 /nfs/dbraw/zinc/65/46/69/525654669.db2.gz HFHQMFDQUOLZOP-RISCZKNCSA-N -1 3 256.305 2.558 10 0 CFAEHM C[C@@H](N[C@H](c1ccccc1)c1ccc(O)cc1)C(=O)[O-] ZINC000049353507 525671067 /nfs/dbraw/zinc/67/10/67/525671067.db2.gz GQUFRNJODLTYBV-IAQYHMDHSA-N -1 3 271.316 2.544 10 0 CFAEHM COc1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1[O-] ZINC000193556619 525830334 /nfs/dbraw/zinc/83/03/34/525830334.db2.gz WHMNLVCMQZRZNF-ZDUSSCGKSA-N -1 3 299.326 2.654 10 0 CFAEHM Cc1nc(CN(C)[C@@H]2C[C@H](C)CC[C@@H]2C(=O)[O-])cs1 ZINC000062753704 526843678 /nfs/dbraw/zinc/84/36/78/526843678.db2.gz KCMLLMCTZCDAQY-JIMOISOXSA-N -1 3 282.409 2.773 10 0 CFAEHM Cc1nc(Cc2ccc(F)cc2)[n-]c(=O)c1C(C)C ZINC000061688262 526927206 /nfs/dbraw/zinc/92/72/06/526927206.db2.gz IXHWFNOWEOEVQH-UHFFFAOYSA-N -1 3 260.312 2.932 10 0 CFAEHM O=c1ccn([C@H]2CCCc3sccc32)c(=S)[n-]1 ZINC000061367158 527492009 /nfs/dbraw/zinc/49/20/09/527492009.db2.gz NACQIWCAWBOCRH-VIFPVBQESA-N -1 3 264.375 2.893 10 0 CFAEHM Cc1c(Cl)cc2c(c1Br)[N-]C(=O)C2=O ZINC000757190640 617878982 /nfs/dbraw/zinc/87/89/82/617878982.db2.gz RPRXPYCXJHZTKE-UHFFFAOYSA-N -1 3 274.501 2.546 10 0 CFAEHM [O-]c1cc(I)cc(CC2CC2)c1 ZINC000095723829 185021035 /nfs/dbraw/zinc/02/10/35/185021035.db2.gz AFLRGUPOKCLNTR-UHFFFAOYSA-N -1 3 274.101 2.949 10 0 CFAEHM CCOc1ccc2ncc(C(=O)c3ccncc3)c([O-])c2c1 ZINC000085345622 179028371 /nfs/dbraw/zinc/02/83/71/179028371.db2.gz ZBIZCIVJOSBOBB-UHFFFAOYSA-N -1 3 294.310 2.553 10 0 CFAEHM CCCc1c(=O)c(C(C)=O)cc2ccc(C(=O)OC)[n-]c1-2 ZINC000034085986 346315172 /nfs/dbraw/zinc/31/51/72/346315172.db2.gz IZAWHIQNWAXDEX-UHFFFAOYSA-N -1 3 287.315 2.882 10 0 CFAEHM CCCc1c([O-])c(C(C)=O)cc2ccc(C(=O)OC)nc21 ZINC000034085986 346315174 /nfs/dbraw/zinc/31/51/74/346315174.db2.gz IZAWHIQNWAXDEX-UHFFFAOYSA-N -1 3 287.315 2.882 10 0 CFAEHM CCOC(=O)C(Cc1cccc(O)c1)=C([O-])c1ccccc1 ZINC000036472963 346323883 /nfs/dbraw/zinc/32/38/83/346323883.db2.gz IILMOQIICMSZAU-INIZCTEOSA-N -1 3 298.338 2.997 10 0 CFAEHM CCc1ccc2nccc(N(C)[C@H](C)C(=O)[O-])c2c1 ZINC000263533019 383677967 /nfs/dbraw/zinc/67/79/67/383677967.db2.gz XOUAYDQPKAQMQT-SNVBAGLBSA-N -1 3 258.321 2.707 10 0 CFAEHM [O-]c1cc2c(cc1I)CCCC2 ZINC000059687684 346657224 /nfs/dbraw/zinc/65/72/24/346657224.db2.gz SKJNQQSAEYSJOG-UHFFFAOYSA-N -1 3 274.101 2.876 10 0 CFAEHM Cc1ccc2c(c1)nc(-c1ccccc1[O-])[nH]c2=O ZINC000113512146 347768094 /nfs/dbraw/zinc/76/80/94/347768094.db2.gz GMCHFFGHXBTXGT-UHFFFAOYSA-N -1 3 252.273 2.604 10 0 CFAEHM Cn1nc(-c2ccc(Br)s2)[n-]c1=S ZINC000127772165 347844256 /nfs/dbraw/zinc/84/42/56/347844256.db2.gz IHYMGZXJXXUBNJ-UHFFFAOYSA-N -1 3 276.184 2.595 10 0 CFAEHM CN(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Br)c1 ZINC000137218708 347912658 /nfs/dbraw/zinc/91/26/58/347912658.db2.gz YNEFAGDYBXMPMR-SECBINFHSA-N -1 3 292.560 2.790 10 0 CFAEHM COc1ccc([C@@H](C)N2CCC[C@@H]2CC(=O)[O-])cc1F ZINC000086790818 179334732 /nfs/dbraw/zinc/33/47/32/179334732.db2.gz WPOWBTPDGIDYNQ-ZYHUDNBSSA-N -1 3 281.327 2.834 10 0 CFAEHM O=C([O-])[C@H]1CCN([C@@H](c2ccccc2)c2ccccn2)C1 ZINC000086789484 179335434 /nfs/dbraw/zinc/33/54/34/179335434.db2.gz APEJWYYXEJQJJD-HOCLYGCPSA-N -1 3 282.343 2.578 10 0 CFAEHM C[C@@H](c1nc2ccccc2n1C)N1CCC[C@@H]1CC(=O)[O-] ZINC000086791524 179335897 /nfs/dbraw/zinc/33/58/97/179335897.db2.gz JOZOZQVIEFDCLI-NWDGAFQWSA-N -1 3 287.363 2.573 10 0 CFAEHM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cccc(O)c1 ZINC000086806310 179338027 /nfs/dbraw/zinc/33/80/27/179338027.db2.gz AEDAXKUZNIJWRY-MRXNPFEDSA-N -1 3 283.327 2.576 10 0 CFAEHM C[C@H](c1ccc(C(F)(F)F)cc1)N1CC(C(=O)[O-])C1 ZINC000086811245 179340837 /nfs/dbraw/zinc/34/08/37/179340837.db2.gz IFLZEVYHWPORON-MRVPVSSYSA-N -1 3 273.254 2.783 10 0 CFAEHM O=C([O-])CC1CN([C@@H](c2ccco2)c2ccccc2)C1 ZINC000086811925 179341665 /nfs/dbraw/zinc/34/16/65/179341665.db2.gz ZRVIWOIYBMARMC-MRXNPFEDSA-N -1 3 271.316 2.776 10 0 CFAEHM S=c1[n-]c(-c2cscn2)ncc1Br ZINC000236578218 348234738 /nfs/dbraw/zinc/23/47/38/348234738.db2.gz DCNJDXJRWQEOFU-UHFFFAOYSA-N -1 3 274.168 2.651 10 0 CFAEHM C[C@@H](c1ccco1)c1[n-]nnc1C(=O)OC(C)(C)C ZINC000725266363 539623888 /nfs/dbraw/zinc/62/38/88/539623888.db2.gz NXVLTROCJUXJAQ-QMMMGPOBSA-N -1 3 263.297 2.505 10 0 CFAEHM C[C@@H](c1ccco1)c1nn[n-]c1C(=O)OC(C)(C)C ZINC000725266363 539623890 /nfs/dbraw/zinc/62/38/90/539623890.db2.gz NXVLTROCJUXJAQ-QMMMGPOBSA-N -1 3 263.297 2.505 10 0 CFAEHM C[C@@H](c1ccco1)c1n[n-]nc1C(=O)OC(C)(C)C ZINC000725266363 539623894 /nfs/dbraw/zinc/62/38/94/539623894.db2.gz NXVLTROCJUXJAQ-QMMMGPOBSA-N -1 3 263.297 2.505 10 0 CFAEHM Cc1c2cc(-n3ccc([O-])cc3=O)ccc2nn1C1CC1 ZINC000584622160 348692680 /nfs/dbraw/zinc/69/26/80/348692680.db2.gz XYWULCCESSYLCN-UHFFFAOYSA-N -1 3 281.315 2.536 10 0 CFAEHM CCN[C@H](C)c1ccc(C)cc1O[C@H](C)C(=O)[O-] ZINC000104437639 186001949 /nfs/dbraw/zinc/00/19/49/186001949.db2.gz ZYRSMHIARAOVCD-GHMZBOCLSA-N -1 3 251.326 2.517 10 0 CFAEHM CCN[C@@H](C)c1ccc(C)cc1O[C@@H](C)C(=O)[O-] ZINC000104437625 186002608 /nfs/dbraw/zinc/00/26/08/186002608.db2.gz ZYRSMHIARAOVCD-QWRGUYRKSA-N -1 3 251.326 2.517 10 0 CFAEHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109080927 186242679 /nfs/dbraw/zinc/24/26/79/186242679.db2.gz FXOYTLIZIKBKNV-UWVGGRQHSA-N -1 3 290.269 2.808 10 0 CFAEHM CC(C)N1CCCO[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616652166 352399145 /nfs/dbraw/zinc/39/91/45/352399145.db2.gz DSNYJLMJALBXSB-CQSZACIVSA-N -1 3 263.337 2.557 10 0 CFAEHM CC(C)N1CCO[C@H](c2cccc(C(=O)[O-])c2)CC1 ZINC000616686944 352413739 /nfs/dbraw/zinc/41/37/39/352413739.db2.gz MHJGNNUAAMWQGD-AWEZNQCLSA-N -1 3 263.337 2.557 10 0 CFAEHM CCC[C@H](C(=O)Nc1cccc(Cl)c1[O-])N(C)C ZINC000179299837 189184078 /nfs/dbraw/zinc/18/40/78/189184078.db2.gz ZNYNOJKXWAKMQI-LLVKDONJSA-N -1 3 270.760 2.714 10 0 CFAEHM COc1ccc2c(c1)[C@@H](CC[N-]C(=O)C(F)(F)F)CC2 ZINC000000006626 371508241 /nfs/dbraw/zinc/50/82/41/371508241.db2.gz CNMSTYMECCGDFX-SNVBAGLBSA-N -1 3 287.281 2.794 10 0 CFAEHM COc1c(Br)cc([O-])cc1Br ZINC000013449723 372027995 /nfs/dbraw/zinc/02/79/95/372027995.db2.gz NJCONLVOUWKREU-UHFFFAOYSA-N -1 3 281.931 2.926 10 0 CFAEHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N)c2)cc1C ZINC000032146923 372432830 /nfs/dbraw/zinc/43/28/30/372432830.db2.gz NYFFQGYCZPKGEU-UHFFFAOYSA-N -1 3 290.388 2.995 10 0 CFAEHM O=S(=O)(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc([O-])cc1 ZINC000333424175 205309005 /nfs/dbraw/zinc/30/90/05/205309005.db2.gz JREYCIMCAPFHRW-YNEHKIRRSA-N -1 3 295.404 2.639 10 0 CFAEHM COc1ccc([O-])c(C(=O)N[C@H](C)c2cccs2)c1 ZINC000049932011 373330481 /nfs/dbraw/zinc/33/04/81/373330481.db2.gz YZYZMTROUZDUEA-SECBINFHSA-N -1 3 277.345 2.953 10 0 CFAEHM Cc1[nH]c(=S)[n-]c(=O)c1Cc1cccc(Cl)c1 ZINC000072417206 374249643 /nfs/dbraw/zinc/24/96/43/374249643.db2.gz VXUKTBVOVQEQBF-UHFFFAOYSA-N -1 3 266.753 2.985 10 0 CFAEHM CC(C)c1[nH]nc2c1nc([C@@H](C)Oc1ccccc1)[n-]c2=O ZINC000089212167 374888157 /nfs/dbraw/zinc/88/81/57/374888157.db2.gz DUZWDKHPYHHMQY-SNVBAGLBSA-N -1 3 298.346 2.910 10 0 CFAEHM [O-]c1cnc2ccccc2c1I ZINC000097758413 375584759 /nfs/dbraw/zinc/58/47/59/375584759.db2.gz DLQQTZDRIUELBW-UHFFFAOYSA-N -1 3 271.057 2.545 10 0 CFAEHM O=C(c1ccccc1[O-])N1CCC(c2nccs2)CC1 ZINC000334445053 379312147 /nfs/dbraw/zinc/31/21/47/379312147.db2.gz NVBMHUWVGSIRPA-UHFFFAOYSA-N -1 3 288.372 2.869 10 0 CFAEHM Cc1nccn1C[C@@H]1CCCN1C(=O)c1cccc(C)c1[O-] ZINC000175430267 380062339 /nfs/dbraw/zinc/06/23/39/380062339.db2.gz NWKITMUYNHEADB-AWEZNQCLSA-N -1 3 299.374 2.510 10 0 CFAEHM Cc1nccn1C[C@H]1CCCN1C(=O)c1cccc(C)c1[O-] ZINC000175430246 380063308 /nfs/dbraw/zinc/06/33/08/380063308.db2.gz NWKITMUYNHEADB-CQSZACIVSA-N -1 3 299.374 2.510 10 0 CFAEHM CCC[C@H](NCc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC000185059371 381523911 /nfs/dbraw/zinc/52/39/11/381523911.db2.gz IYNLQQDDSSMIKZ-JTQLQIEISA-N -1 3 295.770 2.570 10 0 CFAEHM COC(=O)c1cc(C(F)(F)F)c(Cl)cc1[O-] ZINC000575712854 382794051 /nfs/dbraw/zinc/79/40/51/382794051.db2.gz PHJRKXVTZKERRU-UHFFFAOYSA-N -1 3 254.591 2.851 10 0 CFAEHM [O-]c1cc(OC(F)F)cc(CO)c1C(F)(F)F ZINC000575662169 382781740 /nfs/dbraw/zinc/78/17/40/382781740.db2.gz SJJWVYBIJSFXNR-UHFFFAOYSA-N -1 3 258.142 2.505 10 0 CFAEHM CCOc1cc([O-])c(Br)c(OCC)c1 ZINC000575680754 382785819 /nfs/dbraw/zinc/78/58/19/382785819.db2.gz JNCIYYKVMUYPPL-UHFFFAOYSA-N -1 3 261.115 2.952 10 0 CFAEHM O=Cc1cc([O-])cc(Br)c1OC(F)F ZINC000575682664 382786775 /nfs/dbraw/zinc/78/67/75/382786775.db2.gz ZZDWNXJEXZNQTP-UHFFFAOYSA-N -1 3 267.025 2.569 10 0 CFAEHM [O-]c1cc(Br)c(CO)c(C(F)F)c1 ZINC000575685182 382787346 /nfs/dbraw/zinc/78/73/46/382787346.db2.gz KBCAFIHCUIIBLM-UHFFFAOYSA-N -1 3 253.042 2.585 10 0 CFAEHM [O-]c1c(Br)ccc(C(F)F)c1CO ZINC000575684877 382787470 /nfs/dbraw/zinc/78/74/70/382787470.db2.gz ILXBLNSUSIRDGM-UHFFFAOYSA-N -1 3 253.042 2.585 10 0 CFAEHM [O-]c1c(C(F)F)ccc(Br)c1CO ZINC000575686569 382787853 /nfs/dbraw/zinc/78/78/53/382787853.db2.gz RCWYKMGBYLMBOB-UHFFFAOYSA-N -1 3 253.042 2.585 10 0 CFAEHM [O-]c1cc(CO)c(OC(F)(F)F)cc1Br ZINC000575689717 382788486 /nfs/dbraw/zinc/78/84/86/382788486.db2.gz BOHQCQQGQYBMTJ-UHFFFAOYSA-N -1 3 287.031 2.546 10 0 CFAEHM O=Cc1cc([O-])c(OC(F)(F)F)cc1Br ZINC000575690871 382788967 /nfs/dbraw/zinc/78/89/67/382788967.db2.gz FBMONOMDEJNWIB-UHFFFAOYSA-N -1 3 285.015 2.866 10 0 CFAEHM CCOC(=O)c1cc(C)c([O-])cc1Br ZINC000575699245 382790481 /nfs/dbraw/zinc/79/04/81/382790481.db2.gz GCJHKCYFFHLIPR-UHFFFAOYSA-N -1 3 259.099 2.640 10 0 CFAEHM CCOC(=O)Cc1cc([O-])c(Br)cc1CC ZINC000575700031 382790907 /nfs/dbraw/zinc/79/09/07/382790907.db2.gz PKCMALXGNDCIIR-UHFFFAOYSA-N -1 3 287.153 2.823 10 0 CFAEHM CCOC(=O)c1c(Br)cc([O-])cc1CC ZINC000575700813 382791013 /nfs/dbraw/zinc/79/10/13/382791013.db2.gz VIPDFAOBFVLZKJ-UHFFFAOYSA-N -1 3 273.126 2.894 10 0 CFAEHM CCOC(=O)c1cc([O-])cc(OCC)c1Br ZINC000575700873 382791287 /nfs/dbraw/zinc/79/12/87/382791287.db2.gz XBRHOVZUBTZRCL-UHFFFAOYSA-N -1 3 289.125 2.730 10 0 CFAEHM CCOC(=O)Cc1cc(OCC)cc(Cl)c1[O-] ZINC000575701254 382791304 /nfs/dbraw/zinc/79/13/04/382791304.db2.gz YALZHEMZRRZEFW-UHFFFAOYSA-N -1 3 258.701 2.550 10 0 CFAEHM CCC[C@H]1C[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000233385211 382871220 /nfs/dbraw/zinc/87/12/20/382871220.db2.gz 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ZINC000536957561 330383499 /nfs/dbraw/zinc/38/34/99/330383499.db2.gz FGRICVCXBFSBRE-UHFFFAOYSA-N -1 3 258.321 2.852 10 0 CFAEHM CC(=O)c1cc(F)cc(CSc2nnc(C)o2)c1[O-] ZINC000051038375 518288089 /nfs/dbraw/zinc/28/80/89/518288089.db2.gz YKUGQILPVLETAK-UHFFFAOYSA-N -1 3 282.296 2.718 10 0 CFAEHM CC(C)(CC(=O)[O-])C[C@H](N)c1c(F)cc(F)cc1F ZINC000061825322 519196024 /nfs/dbraw/zinc/19/60/24/519196024.db2.gz OFJYMPNRDDFJSM-JTQLQIEISA-N -1 3 275.270 2.995 10 0 CFAEHM CC(C)C[C@H](CN(C)C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000049560318 519340964 /nfs/dbraw/zinc/34/09/64/519340964.db2.gz JHOKUVULCIYQBU-GFCCVEGCSA-N -1 3 298.814 2.752 10 0 CFAEHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1cccs1 ZINC000220212849 525304488 /nfs/dbraw/zinc/30/44/88/525304488.db2.gz CVDUOCVWDLSCSE-MRVPVSSYSA-N -1 3 263.318 2.650 10 0 CFAEHM C[C@H](N[C@H](CC(F)(F)F)c1ccccc1)C(=O)[O-] ZINC000049358096 525593273 /nfs/dbraw/zinc/59/32/73/525593273.db2.gz UJJDTQHYMHGJGF-WCBMZHEXSA-N -1 3 261.243 2.743 10 0 CFAEHM C[C@@H](N[C@@H](C)c1sccc1Br)C(=O)[O-] ZINC000049358043 525624771 /nfs/dbraw/zinc/62/47/71/525624771.db2.gz BLOFEAMCYTVJER-NTSWFWBYSA-N -1 3 278.171 2.634 10 0 CFAEHM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC000049560758 525933105 /nfs/dbraw/zinc/93/31/05/525933105.db2.gz QKUCIMSFMPWXMP-LBPRGKRZSA-N -1 3 291.372 2.740 10 0 CFAEHM O=C(c1ccccc1[O-])N(Cc1ccco1)C1CC1 ZINC000055371924 526807916 /nfs/dbraw/zinc/80/79/16/526807916.db2.gz CVKNITDOICPBBJ-UHFFFAOYSA-N -1 3 257.289 2.790 10 0 CFAEHM Cc1nc(Cc2cccc(F)c2)[n-]c(=O)c1C(C)C ZINC000061688297 526927691 /nfs/dbraw/zinc/92/76/91/526927691.db2.gz PDDDCWJOALGQSO-UHFFFAOYSA-N -1 3 260.312 2.932 10 0 CFAEHM Cc1c([O-])cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O ZINC000014814931 560226498 /nfs/dbraw/zinc/22/64/98/560226498.db2.gz GMVYLXBMPRDZDR-CQSZACIVSA-N -1 3 286.283 2.818 10 0 biogenic,in-vitro CFAEHM Cc1ccc(-c2cc(C(=O)O[C@H](C)[C@H]3CCOC3)n[n-]2)o1 ZINC000175250685 624938610 /nfs/dbraw/zinc/93/86/10/624938610.db2.gz SPQMCMBBQCQMQU-MNOVXSKESA-N 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DDIFMKLEJGXWMX-UHFFFAOYSA-N -1 3 265.312 2.773 10 0 CFAEHM C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC(C(=O)[O-])C1 ZINC000086811243 179340881 /nfs/dbraw/zinc/34/08/81/179340881.db2.gz IFLZEVYHWPORON-QMMMGPOBSA-N -1 3 273.254 2.783 10 0 CFAEHM CCOc1ccc([C@H](C)N2CC(CC(=O)[O-])C2)cc1 ZINC000086811501 179341404 /nfs/dbraw/zinc/34/14/04/179341404.db2.gz YDKYJLAHTKFEMQ-NSHDSACASA-N -1 3 263.337 2.553 10 0 CFAEHM O=c1c(Cc2ccccc2)cncn1-c1ccc([O-])c(F)c1 ZINC000167395227 348045378 /nfs/dbraw/zinc/04/53/78/348045378.db2.gz QSWFIAYJBLSCQO-UHFFFAOYSA-N -1 3 296.301 2.668 10 0 CFAEHM C[C@H](c1ccc(F)cc1F)N1CCC[C@@]1(C)C(=O)[O-] ZINC000086816469 179343580 /nfs/dbraw/zinc/34/35/80/179343580.db2.gz FNFOBISZOFIJCF-OTYXRUKQSA-N -1 3 269.291 2.965 10 0 CFAEHM C[C@@H]1CC[C@H](c2[n-]nnc2C(=O)OC(C)(C)C)C1 ZINC000725266405 539623143 /nfs/dbraw/zinc/62/31/43/539623143.db2.gz VBEOUCVAUGSNAR-BDAKNGLRSA-N -1 3 251.330 2.664 10 0 CFAEHM C[C@@H]1CC[C@H](c2nn[n-]c2C(=O)OC(C)(C)C)C1 ZINC000725266405 539623148 /nfs/dbraw/zinc/62/31/48/539623148.db2.gz VBEOUCVAUGSNAR-BDAKNGLRSA-N -1 3 251.330 2.664 10 0 CFAEHM C[C@@H]1CC[C@H](c2n[n-]nc2C(=O)OC(C)(C)C)C1 ZINC000725266405 539623151 /nfs/dbraw/zinc/62/31/51/539623151.db2.gz VBEOUCVAUGSNAR-BDAKNGLRSA-N -1 3 251.330 2.664 10 0 CFAEHM CCCN(CC)[C@H]1CCCCn2nc(C(=O)[O-])cc21 ZINC000725272948 539629730 /nfs/dbraw/zinc/62/97/30/539629730.db2.gz OURIUTUOLUWITR-LBPRGKRZSA-N -1 3 265.357 2.538 10 0 CFAEHM Nc1cc([O-])c(C(F)(F)F)c(Br)c1 ZINC000307543704 348400164 /nfs/dbraw/zinc/40/01/64/348400164.db2.gz FSCFIHCHBUXVPN-UHFFFAOYSA-N -1 3 256.021 2.756 10 0 CFAEHM CCC[C@H](NO)c1cc([O-])ccc1Br ZINC000308377840 348403775 /nfs/dbraw/zinc/40/37/75/348403775.db2.gz CMQSXAWZBVXIOB-JTQLQIEISA-N -1 3 260.131 2.975 10 0 CFAEHM Cc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000584625725 348694250 /nfs/dbraw/zinc/69/42/50/348694250.db2.gz RVPVSLWTRMAAPW-UHFFFAOYSA-N -1 3 252.277 2.967 10 0 CFAEHM Cc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000584625725 348694252 /nfs/dbraw/zinc/69/42/52/348694252.db2.gz RVPVSLWTRMAAPW-UHFFFAOYSA-N -1 3 252.277 2.967 10 0 CFAEHM Cc1oc2ccccc2c1CN1CCC[C@H]1C(=O)[O-] ZINC000124183947 187125404 /nfs/dbraw/zinc/12/54/04/187125404.db2.gz WVJGEMTWORPFBL-ZDUSSCGKSA-N -1 3 259.305 2.790 10 0 CFAEHM Cc1cc(CCC(=O)[O-])cc([C@@H]2CCCN2C(C)C)n1 ZINC000616575350 352372810 /nfs/dbraw/zinc/37/28/10/352372810.db2.gz JUONEHMLHVIZQS-HNNXBMFYSA-N -1 3 276.380 2.953 10 0 CFAEHM CCOC(=O)c1c([O-])[nH]c(-c2ccccc2Cl)cc1=O ZINC000616589033 352376158 /nfs/dbraw/zinc/37/61/58/352376158.db2.gz FWHQEMHCWQDEFX-UHFFFAOYSA-N -1 3 293.706 2.990 10 0 CFAEHM CC(C)N1CCO[C@H](c2ccccc2C(=O)[O-])CC1 ZINC000616687349 352413777 /nfs/dbraw/zinc/41/37/77/352413777.db2.gz WGECFEWPRIEEQF-AWEZNQCLSA-N -1 3 263.337 2.557 10 0 CFAEHM CC(C)(C)N1CCOC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616658943 352402119 /nfs/dbraw/zinc/40/21/19/352402119.db2.gz AFEWCTBKMYCKEG-LBPRGKRZSA-N -1 3 277.364 2.599 10 0 CFAEHM CC1(C(=O)[O-])CCN(Cc2ccc3ccccc3n2)CC1 ZINC000062844366 540840650 /nfs/dbraw/zinc/84/06/50/540840650.db2.gz YFCLEKMGEKIQER-UHFFFAOYSA-N -1 3 284.359 2.922 10 0 CFAEHM O=C([O-])c1cnoc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000311469538 541028540 /nfs/dbraw/zinc/02/85/40/541028540.db2.gz IHPRPBGKIYBOBY-JQWIXIFHSA-N -1 3 264.325 2.527 10 0 CFAEHM C[C@@H](NCC(=O)[N-]OCc1ccccc1)c1cccs1 ZINC000181597967 189302316 /nfs/dbraw/zinc/30/23/16/189302316.db2.gz XEYMBYXGNRMTIZ-GFCCVEGCSA-N -1 3 290.388 2.647 10 0 CFAEHM CCc1nccn1[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000182390695 189322182 /nfs/dbraw/zinc/32/21/82/189322182.db2.gz JAAYEWPKZVAWOH-CQSZACIVSA-N -1 3 299.374 2.628 10 0 CFAEHM C[C@H]1C[C@@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188885800 189516731 /nfs/dbraw/zinc/51/67/31/189516731.db2.gz LEBSBYUIDUHRCT-WKEGUHRASA-N -1 3 259.227 2.549 10 0 CFAEHM C[C@]1(C(F)(F)F)C=C([O-])c2cc(C=O)ccc2O1 ZINC000043464959 291374945 /nfs/dbraw/zinc/37/49/45/291374945.db2.gz PBESTWIUDPFSPN-LLVKDONJSA-N -1 3 258.195 2.785 10 0 CFAEHM COc1ccc2c(c1)[C@H](CC[N-]C(=O)C(F)(F)F)CC2 ZINC000003825728 371818871 /nfs/dbraw/zinc/81/88/71/371818871.db2.gz CNMSTYMECCGDFX-JTQLQIEISA-N -1 3 287.281 2.794 10 0 CFAEHM CCCCCOc1ccc([C@H](N)C(=O)[O-])cc1OCC ZINC000004227591 371842610 /nfs/dbraw/zinc/84/26/10/371842610.db2.gz FUPGRMRAFNOOFU-AWEZNQCLSA-N -1 3 281.352 2.739 10 0 CFAEHM O=c1[nH]c(C=Cc2ccccc2)nc2ccc([O-])cc12 ZINC000029416154 372379093 /nfs/dbraw/zinc/37/90/93/372379093.db2.gz MXMNJNCZLUFBCL-RMKNXTFCSA-N -1 3 264.284 2.799 10 0 CFAEHM COc1cccc(C(=O)N[C@@H](C)c2ccc(C)o2)c1[O-] ZINC000042319675 372907011 /nfs/dbraw/zinc/90/70/11/372907011.db2.gz LPGDZTZQNDGHCB-JTQLQIEISA-N -1 3 275.304 2.793 10 0 CFAEHM C[C@H](NCc1ccc([O-])c(F)c1)c1cncc(F)c1 ZINC000153454737 378493646 /nfs/dbraw/zinc/49/36/46/378493646.db2.gz SBFDAYIRFQHVTQ-VIFPVBQESA-N -1 3 264.275 2.916 10 0 CFAEHM O=C(c1cc([O-])ccc1Cl)N1C[C@H]2CCC[C@H]21 ZINC000335908974 380089584 /nfs/dbraw/zinc/08/95/84/380089584.db2.gz XJHLCNXCULPCOY-PRHODGIISA-N -1 3 251.713 2.670 10 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ZINC000575692135 382789381 /nfs/dbraw/zinc/78/93/81/382789381.db2.gz VIPIHLABPOVVKL-UHFFFAOYSA-N -1 3 287.031 2.546 10 0 CFAEHM CCOc1cc(F)cc(I)c1[O-] ZINC000575697237 382789964 /nfs/dbraw/zinc/78/99/64/382789964.db2.gz RPAGGVHOPGFTMC-UHFFFAOYSA-N -1 3 282.052 2.535 10 0 CFAEHM COC(=O)c1cc([O-])c(Br)cc1OC(F)F ZINC000575710649 382793283 /nfs/dbraw/zinc/79/32/83/382793283.db2.gz LLGSKYZBRKRBCG-UHFFFAOYSA-N -1 3 297.051 2.543 10 0 CFAEHM COC(=O)c1cc(C(F)(F)F)cc(Cl)c1[O-] ZINC000260083448 383504167 /nfs/dbraw/zinc/50/41/67/383504167.db2.gz FVEQPBFRWAIEKB-UHFFFAOYSA-N -1 3 254.591 2.851 10 0 CFAEHM COc1[n-]c(=O)c(Br)cc1C(F)(F)F ZINC000072232959 286555892 /nfs/dbraw/zinc/55/58/92/286555892.db2.gz HPUGEDHJXHPBPO-UHFFFAOYSA-N -1 3 272.020 2.577 10 0 CFAEHM Cc1ccc(NCc2c([O-])c(C)ncc2CO)cc1 ZINC000006900476 170254015 /nfs/dbraw/zinc/25/40/15/170254015.db2.gz XMMBYAICSASIAG-UHFFFAOYSA-N -1 3 258.321 2.508 10 0 CFAEHM Cc1ncc(CO)c(CNc2ccc(F)c(Cl)c2)c1[O-] ZINC000006900442 170254222 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/nfs/dbraw/zinc/08/61/39/543086139.db2.gz IDJGUOSGKMRXDS-GHMZBOCLSA-N -1 3 261.325 2.804 10 0 CFAEHM CSc1c([O-])cccc1I ZINC000095724319 286723230 /nfs/dbraw/zinc/72/32/30/286723230.db2.gz QIJQYNFNUGRYSN-UHFFFAOYSA-N -1 3 266.103 2.719 10 0 CFAEHM CC(C)C(=O)Nc1ccc([O-])c(-c2csc(N)n2)c1 ZINC000004857812 170031725 /nfs/dbraw/zinc/03/17/25/170031725.db2.gz ANDOVPTXGXVCOM-UHFFFAOYSA-N -1 3 277.349 2.692 10 0 CFAEHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc[nH]c3c2)cc1 ZINC000005889164 170150823 /nfs/dbraw/zinc/15/08/23/170150823.db2.gz KDBOQLUOKGHGMU-UHFFFAOYSA-N -1 3 287.344 2.672 10 0 CFAEHM Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)c([O-])c1 ZINC000007216438 170272217 /nfs/dbraw/zinc/27/22/17/170272217.db2.gz RMHFXBRUFVSMAO-CQSZACIVSA-N -1 3 283.327 2.954 10 0 CFAEHM Cc1[nH]c2c(C(=O)[O-])cccc2c(=O)c1CN1CCCC1 ZINC000008713875 170348403 /nfs/dbraw/zinc/34/84/03/170348403.db2.gz VTAYMXNZQYSMJZ-UHFFFAOYSA-N -1 3 286.331 2.543 10 0 CFAEHM COc1ccc2c(c1)c(=O)cc(-c1ccc([O-])cc1)n2C ZINC000014504172 170636108 /nfs/dbraw/zinc/63/61/08/170636108.db2.gz COFCROPUZBFJMG-UHFFFAOYSA-N -1 3 281.311 2.920 10 0 biogenic,in-vitro CFAEHM Cc1ccc([O-])c(C(=O)Nc2cccc(C(N)=S)c2)c1 ZINC000019517994 170823850 /nfs/dbraw/zinc/82/38/50/170823850.db2.gz GTWYWRUEWSFNCJ-UHFFFAOYSA-N -1 3 286.356 2.587 10 0 CFAEHM Nc1ccc(Cl)cc1NC(=O)c1cccc([O-])c1 ZINC000021953660 171340720 /nfs/dbraw/zinc/34/07/20/171340720.db2.gz VOHFRECGBFEIIA-UHFFFAOYSA-N -1 3 262.696 2.880 10 0 CFAEHM COC(=O)c1ccccc1NC(=O)c1cccc(C)c1[O-] ZINC000035179082 172031708 /nfs/dbraw/zinc/03/17/08/172031708.db2.gz WWOVECDSXJXAGS-UHFFFAOYSA-N -1 3 285.299 2.740 10 0 CFAEHM C[C@@H]1C[C@H](C)CN(CC(=O)c2cc(F)ccc2[O-])C1 ZINC000037331948 173133934 /nfs/dbraw/zinc/13/39/34/173133934.db2.gz HSAQVYLHLCLKSF-PHIMTYICSA-N -1 3 265.328 2.692 10 0 CFAEHM CC[C@@H](C)CN(C)CC(=O)c1cc(F)ccc1[O-] ZINC000037337081 173137448 /nfs/dbraw/zinc/13/74/48/173137448.db2.gz LIUUFQBIFOJPLZ-SNVBAGLBSA-N -1 3 253.317 2.692 10 0 CFAEHM CCN(CC)[C@](C)(C(=O)[O-])c1c(F)cccc1F ZINC000037360791 173150202 /nfs/dbraw/zinc/15/02/02/173150202.db2.gz LDKBEBNQYCUMNV-ZDUSSCGKSA-N -1 3 257.280 2.606 10 0 CFAEHM Cc1cc(=O)[n-]c(-c2cc(Br)cs2)n1 ZINC000037409065 173184812 /nfs/dbraw/zinc/18/48/12/173184812.db2.gz XUXSDFWVWWXQJI-UHFFFAOYSA-N -1 3 271.139 2.569 10 0 CFAEHM O=C([O-])[C@H](NC1CCCC1)c1ccc(F)cc1F ZINC000037969083 173916911 /nfs/dbraw/zinc/91/69/11/173916911.db2.gz IYGLPEKNBIDXFK-GFCCVEGCSA-N -1 3 255.264 2.623 10 0 CFAEHM COc1ccc(OC)c(CN2CCCC[C@H]2CC(=O)[O-])c1 ZINC000038027773 174013650 /nfs/dbraw/zinc/01/36/50/174013650.db2.gz CQNCAAGPISOBEF-ZDUSSCGKSA-N -1 3 293.363 2.533 10 0 CFAEHM CCCCC[N-]S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000040314079 174232742 /nfs/dbraw/zinc/23/27/42/174232742.db2.gz YMOSRBGLLNKQNE-UHFFFAOYSA-N -1 3 294.779 2.530 10 0 CFAEHM CC(C)C[C@@H](NCc1cc(-c2ccco2)on1)C(=O)[O-] ZINC000043443249 175047256 /nfs/dbraw/zinc/04/72/56/175047256.db2.gz YZCSATKHCJXAJR-LLVKDONJSA-N -1 3 278.308 2.524 10 0 CFAEHM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000043585343 175071017 /nfs/dbraw/zinc/07/10/17/175071017.db2.gz JPCKSINKVHHETG-LBPRGKRZSA-N -1 3 265.328 2.903 10 0 CFAEHM CC(C)c1n[n-]c(=S)n1C[C@@H]1CCCCN1C ZINC000044563435 175206486 /nfs/dbraw/zinc/20/64/86/175206486.db2.gz VVVZPPZYWQMOHH-JTQLQIEISA-N -1 3 254.403 2.548 10 0 CFAEHM CC(C)CCOCCN1CCc2sccc2[C@H]1C(=O)[O-] ZINC000044592440 175213827 /nfs/dbraw/zinc/21/38/27/175213827.db2.gz QTBHEGPQWYVQEK-AWEZNQCLSA-N -1 3 297.420 2.795 10 0 CFAEHM C[C@H](N[C@H]1CCC(C)(C)c2ccccc21)c1nn[n-]n1 ZINC000044887618 175271330 /nfs/dbraw/zinc/27/13/30/175271330.db2.gz RRYGWVLZIQLXAC-GWCFXTLKSA-N -1 3 271.368 2.663 10 0 CFAEHM C[C@H](N[C@H]1CCC(C)(C)c2ccccc21)c1nnn[n-]1 ZINC000044887618 175271332 /nfs/dbraw/zinc/27/13/32/175271332.db2.gz RRYGWVLZIQLXAC-GWCFXTLKSA-N -1 3 271.368 2.663 10 0 CFAEHM C[C@@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1nn[n-]n1 ZINC000044887616 175271481 /nfs/dbraw/zinc/27/14/81/175271481.db2.gz RRYGWVLZIQLXAC-ZWNOBZJWSA-N -1 3 271.368 2.663 10 0 CFAEHM C[C@@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1nnn[n-]1 ZINC000044887616 175271484 /nfs/dbraw/zinc/27/14/84/175271484.db2.gz RRYGWVLZIQLXAC-ZWNOBZJWSA-N -1 3 271.368 2.663 10 0 CFAEHM CCCCC[C@H](NCc1nn[n-]n1)c1ccccc1 ZINC000044928945 175278908 /nfs/dbraw/zinc/27/89/08/175278908.db2.gz QYZOZDMOHMOLCY-ZDUSSCGKSA-N -1 3 259.357 2.611 10 0 CFAEHM CCCCC[C@H](NCc1nnn[n-]1)c1ccccc1 ZINC000044928945 175278910 /nfs/dbraw/zinc/27/89/10/175278910.db2.gz QYZOZDMOHMOLCY-ZDUSSCGKSA-N -1 3 259.357 2.611 10 0 CFAEHM O=C1[N-]c2cc(N3CCC[C@H]3C3CCCC3)ccc2C1=O ZINC000045074347 175302699 /nfs/dbraw/zinc/30/26/99/175302699.db2.gz YVOYMDORZPSMDN-HNNXBMFYSA-N -1 3 284.359 2.980 10 0 CFAEHM C[C@@H]1CCC[C@@H](C[C@H]2Cc3cc([O-])cc(O)c3C(=O)O2)O1 ZINC000045301277 175355191 /nfs/dbraw/zinc/35/51/91/175355191.db2.gz WOMKDMUZNBFXKG-JIMOISOXSA-N -1 3 292.331 2.527 10 0 CFAEHM C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)O1 ZINC000248700025 281031649 /nfs/dbraw/zinc/03/16/49/281031649.db2.gz FULKPSRURJUMQU-GYSYKLTISA-N -1 3 275.348 2.800 10 0 CFAEHM CCN(C(=O)c1cc(OC)ccc1[O-])c1ccccc1N ZINC000050453657 520069235 /nfs/dbraw/zinc/06/92/35/520069235.db2.gz OOIMQPALVUKNDU-UHFFFAOYSA-N -1 3 286.331 2.650 10 0 CFAEHM CCN(CC)Cc1ccc(/C=C/C(=O)[O-])cc1F ZINC000049625872 520743335 /nfs/dbraw/zinc/74/33/35/520743335.db2.gz SYTJVTUDFUAKMK-SOFGYWHQSA-N -1 3 251.301 2.765 10 0 CFAEHM CCN(Cc1cccc(F)c1F)[C@H](C)CC(=O)[O-] ZINC000061182390 521350398 /nfs/dbraw/zinc/35/03/98/521350398.db2.gz AKLKRZKJQKQWQU-SECBINFHSA-N -1 3 257.280 2.650 10 0 CFAEHM CCN1CCC[C@@H](n2c(=O)c3ccsc3[n-]c2=S)C1 ZINC000049222161 521626195 /nfs/dbraw/zinc/62/61/95/521626195.db2.gz NXOUGSBZRYEHFU-SECBINFHSA-N -1 3 295.433 2.777 10 0 CFAEHM CCN1CCC[C@H](n2c(=O)c3ccsc3[n-]c2=S)C1 ZINC000049222157 521651092 /nfs/dbraw/zinc/65/10/92/521651092.db2.gz NXOUGSBZRYEHFU-VIFPVBQESA-N -1 3 295.433 2.777 10 0 CFAEHM COc1cc(F)ccc1N[C@H](C)c1c(C)nc(C)[n-]c1=O ZINC000049564335 522616939 /nfs/dbraw/zinc/61/69/39/522616939.db2.gz NNRLUOCOTPLITB-SECBINFHSA-N -1 3 291.326 2.708 10 0 CFAEHM CCn1ccnc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000050607777 523550947 /nfs/dbraw/zinc/55/09/47/523550947.db2.gz RFCPNPIYFNJMFC-UHFFFAOYSA-N -1 3 265.700 2.998 10 0 CFAEHM Cc1cc(C)c(C(=O)[O-])c(N[C@H](C)CN2CCCCC2)n1 ZINC000049502573 524245782 /nfs/dbraw/zinc/24/57/82/524245782.db2.gz JPKGQPVOSWXNFI-CYBMUJFWSA-N -1 3 291.395 2.683 10 0 CFAEHM Cc1cccc(N2CCN([C@@H](C)CCC(=O)[O-])CC2)c1C ZINC000050956495 524561277 /nfs/dbraw/zinc/56/12/77/524561277.db2.gz IPIUWAFRCSVFFO-AWEZNQCLSA-N -1 3 290.407 2.679 10 0 CFAEHM C[C@H]1C[C@@H]1NCc1cccc([O-])c1Br ZINC000307259766 524852934 /nfs/dbraw/zinc/85/29/34/524852934.db2.gz RORLQAWHPYLBMZ-CBAPKCEASA-N -1 3 256.143 2.653 10 0 CFAEHM C[C@@H]1CN(Cc2cc(F)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000235348013 524987317 /nfs/dbraw/zinc/98/73/17/524987317.db2.gz WTTGYSDADKAAIN-LDYMZIIASA-N -1 3 271.719 2.632 10 0 CFAEHM Cc1ccccc1CN(C)c1ccc2c(c1)[N-]C(=O)C2=O ZINC000048872375 525130223 /nfs/dbraw/zinc/13/02/23/525130223.db2.gz JAVCRYRPKOTREO-UHFFFAOYSA-N 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278.302 2.936 10 0 CFAEHM CC(C)CCC[C@H](C)NS(=O)(=O)c1ccc([O-])cc1 ZINC000049147556 519648086 /nfs/dbraw/zinc/64/80/86/519648086.db2.gz BCTBTFROQUPHAX-LBPRGKRZSA-N -1 3 285.409 2.885 10 0 CFAEHM CC(C)c1nc(CNC2CCC(C(=O)[O-])CC2)cs1 ZINC000049277309 519863547 /nfs/dbraw/zinc/86/35/47/519863547.db2.gz JWXNREBLAIAJRR-UHFFFAOYSA-N -1 3 282.409 3.000 10 0 CFAEHM CC(C)c1nnc(C(=O)[N-]c2cccc3cccnc32)o1 ZINC000049698273 519884892 /nfs/dbraw/zinc/88/48/92/519884892.db2.gz AGPBRPCVAFHPFP-UHFFFAOYSA-N -1 3 282.303 2.994 10 0 CFAEHM CCCC[C@@H](C)NC(=O)c1cc(OC)ccc1[O-] ZINC000050889827 521006431 /nfs/dbraw/zinc/00/64/31/521006431.db2.gz UXPLRGMJPJPYHD-SNVBAGLBSA-N -1 3 251.326 2.709 10 0 CFAEHM CCCC[C@@H](CC)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000069370622 521040433 /nfs/dbraw/zinc/04/04/33/521040433.db2.gz PZEMYPBXKKGZFE-SNVBAGLBSA-N -1 3 260.337 2.951 10 0 CFAEHM CCOc1ccccc1CN(CC)[C@H](C)CC(=O)[O-] ZINC000061182590 521479493 /nfs/dbraw/zinc/47/94/93/521479493.db2.gz LGRPYBCTYDMUCZ-GFCCVEGCSA-N -1 3 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/nfs/dbraw/zinc/62/34/83/539623483.db2.gz HHFZKGLQGWAJKG-MRVPVSSYSA-N -1 3 279.365 2.973 10 0 CFAEHM C[C@H](c1cccs1)c1nn[n-]c1C(=O)OC(C)(C)C ZINC000725266324 539623484 /nfs/dbraw/zinc/62/34/84/539623484.db2.gz HHFZKGLQGWAJKG-MRVPVSSYSA-N -1 3 279.365 2.973 10 0 CFAEHM C[C@H](c1cccs1)c1n[n-]nc1C(=O)OC(C)(C)C ZINC000725266324 539623485 /nfs/dbraw/zinc/62/34/85/539623485.db2.gz HHFZKGLQGWAJKG-MRVPVSSYSA-N -1 3 279.365 2.973 10 0 CFAEHM O=C(C1CC1)N1CCC(c2ccc([O-])c(F)c2)CC1 ZINC000584606439 348688253 /nfs/dbraw/zinc/68/82/53/348688253.db2.gz VXJCSZBOIYIDCY-UHFFFAOYSA-N -1 3 263.312 2.647 10 0 CFAEHM CC(=O)[N-]OC[C@H](CC(F)(F)F)c1ccccc1 ZINC000584610404 348688939 /nfs/dbraw/zinc/68/89/39/348688939.db2.gz WTPLRLARVDWBLR-NSHDSACASA-N -1 3 261.243 2.790 10 0 CFAEHM COc1ccc(C2=C[C@@H](C)[C@H](c3nnn[n-]3)CC2)cc1 ZINC000584625690 348693917 /nfs/dbraw/zinc/69/39/17/348693917.db2.gz OWPJQJLZDJBDFR-QMTHXVAHSA-N -1 3 270.336 2.805 10 0 CFAEHM COc1ccc(C2=C[C@@H](C)[C@H](c3nn[n-]n3)CC2)cc1 ZINC000584625690 348693922 /nfs/dbraw/zinc/69/39/22/348693922.db2.gz OWPJQJLZDJBDFR-QMTHXVAHSA-N -1 3 270.336 2.805 10 0 CFAEHM Fc1cc(Cl)cnc1Oc1ccc(-c2nnn[n-]2)cc1 ZINC000584641184 348700235 /nfs/dbraw/zinc/70/02/35/348700235.db2.gz OFJQIZJDPLXMGG-UHFFFAOYSA-N -1 3 291.673 2.847 10 0 CFAEHM Fc1cc(Cl)cnc1Oc1ccc(-c2nn[n-]n2)cc1 ZINC000584641184 348700238 /nfs/dbraw/zinc/70/02/38/348700238.db2.gz OFJQIZJDPLXMGG-UHFFFAOYSA-N -1 3 291.673 2.847 10 0 CFAEHM CCC(CC)[C@@H](C)[N-]S(=O)(=O)c1cc(N)ccc1F ZINC000104449218 186005735 /nfs/dbraw/zinc/00/57/35/186005735.db2.gz HKTYXYNFMDDYSW-SECBINFHSA-N -1 3 288.388 2.511 10 0 CFAEHM CN(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000106455549 186118451 /nfs/dbraw/zinc/11/84/51/186118451.db2.gz CLYBUEBFZCFXBY-HNNXBMFYSA-N -1 3 284.359 2.504 10 0 CFAEHM Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N(C)C)c([O-])c1 ZINC000106455403 186119285 /nfs/dbraw/zinc/11/92/85/186119285.db2.gz QOAPANHEYWEMGY-INIZCTEOSA-N -1 3 298.386 2.812 10 0 CFAEHM CC(C)N1CCOCC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000616597430 352378808 /nfs/dbraw/zinc/37/88/08/352378808.db2.gz FJCUABQRXJPBMO-AWEZNQCLSA-N -1 3 263.337 2.557 10 0 CFAEHM CC(C)(C)N1CCOCC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616655506 352400761 /nfs/dbraw/zinc/40/07/61/352400761.db2.gz FJMVUUVVKVRDCH-CQSZACIVSA-N -1 3 277.364 2.947 10 0 CFAEHM CC(C)N1CCCO[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616649489 352398612 /nfs/dbraw/zinc/39/86/12/352398612.db2.gz KSEAORHFNWPLIV-AWEZNQCLSA-N -1 3 263.337 2.557 10 0 CFAEHM CCc1ccc([O-])c(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000094017157 539915087 /nfs/dbraw/zinc/91/50/87/539915087.db2.gz ZVFZVWDAKZXQMS-HOCLYGCPSA-N -1 3 289.375 2.738 10 0 CFAEHM CCOC(=O)c1cc2c(Cl)cccc2c(=O)[n-]1 ZINC000260804681 539984509 /nfs/dbraw/zinc/98/45/09/539984509.db2.gz KCYUBZHVTVGFFN-UHFFFAOYSA-N -1 3 251.669 2.771 10 0 CFAEHM O=c1cc[n-]c2c(F)cc(Br)c(F)c12 ZINC000232180515 540194565 /nfs/dbraw/zinc/19/45/65/540194565.db2.gz OZRCZPNOTFPJDR-UHFFFAOYSA-N -1 3 260.037 2.569 10 0 CFAEHM CC(C)N1Cc2cc(Cl)ccc2C[C@@H]1C(=O)[O-] ZINC000008698970 371898134 /nfs/dbraw/zinc/89/81/34/371898134.db2.gz XIQAFEXXPMBKKL-GFCCVEGCSA-N -1 3 253.729 2.560 10 0 CFAEHM Cc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c([O-])c1 ZINC000094148941 375342726 /nfs/dbraw/zinc/34/27/26/375342726.db2.gz OYCLYRKAPIJFIL-AWEZNQCLSA-N -1 3 285.347 2.791 10 0 CFAEHM N[C@@H](c1cc([O-])ccc1Br)C(F)(F)F ZINC000072195681 295295554 /nfs/dbraw/zinc/29/55/54/295295554.db2.gz DUMAQMONNUOYBM-ZETCQYMHSA-N -1 3 270.048 2.717 10 0 CFAEHM CCN(CC)c1c(C(=O)[O-])cnc2cc3c(cc21)OCO3 ZINC000032500210 284832088 /nfs/dbraw/zinc/83/20/88/284832088.db2.gz OCHNKOWNCMNOCO-UHFFFAOYSA-N -1 3 288.303 2.508 10 0 CFAEHM COC(=O)Cc1c([O-])ccc(Cl)c1C(F)(F)F ZINC000575712791 382793980 /nfs/dbraw/zinc/79/39/80/382793980.db2.gz MRKIKOUEKZOOTE-UHFFFAOYSA-N -1 3 268.618 2.780 10 0 CFAEHM CS[C@H]1CC[C@@H]1N=c1[n-]c(Br)cs1 ZINC000575548700 382773763 /nfs/dbraw/zinc/77/37/63/382773763.db2.gz GAAIYDVBAWEDTH-WDSKDSINSA-N -1 3 279.228 2.633 10 0 CFAEHM [O-]c1cc(Br)cc(C(F)(F)F)c1CO ZINC000575689854 382788672 /nfs/dbraw/zinc/78/86/72/382788672.db2.gz IRQFNMXBBFWLJY-UHFFFAOYSA-N -1 3 271.032 2.666 10 0 CFAEHM CCOc1cc([O-])cc(F)c1I ZINC000575695076 382789406 /nfs/dbraw/zinc/78/94/06/382789406.db2.gz BZVUJAOOTLZSQG-UHFFFAOYSA-N -1 3 282.052 2.535 10 0 CFAEHM CCOC(=O)c1cc([O-])cc(CC)c1Br ZINC000575698990 382790670 /nfs/dbraw/zinc/79/06/70/382790670.db2.gz FZCXNTGLUXRETA-UHFFFAOYSA-N -1 3 273.126 2.894 10 0 CFAEHM CCOC(=O)c1cc([O-])cc(Br)c1CC ZINC000575699256 382790674 /nfs/dbraw/zinc/79/06/74/382790674.db2.gz IQVMKUSFRRVRSH-UHFFFAOYSA-N -1 3 273.126 2.894 10 0 CFAEHM COC(=O)c1cc(OC(F)F)cc(Br)c1[O-] ZINC000575709772 382792985 /nfs/dbraw/zinc/79/29/85/382792985.db2.gz BMNKTOMICNUSER-UHFFFAOYSA-N -1 3 297.051 2.543 10 0 CFAEHM COC(=O)Cc1c(Cl)cc([O-])cc1Br ZINC000575710802 382793287 /nfs/dbraw/zinc/79/32/87/382793287.db2.gz NPUICTGITWMADS-UHFFFAOYSA-N -1 3 279.517 2.524 10 0 CFAEHM COC(=O)c1c([O-])cc(OC(F)F)cc1Br ZINC000575711070 382793386 /nfs/dbraw/zinc/79/33/86/382793386.db2.gz NPYUYIZWUBMFJP-UHFFFAOYSA-N -1 3 297.051 2.543 10 0 CFAEHM Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1[O-] ZINC000575728287 382796894 /nfs/dbraw/zinc/79/68/94/382796894.db2.gz MMLAZNNHUMQZGK-UHFFFAOYSA-N -1 3 261.121 2.892 10 0 CFAEHM COC(=O)Cc1cc(Cl)c(Br)cc1[O-] ZINC000260024441 383503725 /nfs/dbraw/zinc/50/37/25/383503725.db2.gz JIGDVJWEBHPQMH-UHFFFAOYSA-N -1 3 279.517 2.524 10 0 CFAEHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3C[C@H]32)c1F ZINC000645851722 383769103 /nfs/dbraw/zinc/76/91/03/383769103.db2.gz XNXPWAIAGWAUOG-QJPTWQEYSA-N -1 3 283.368 2.601 10 0 CFAEHM Cc1cc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000111253523 542848096 /nfs/dbraw/zinc/84/80/96/542848096.db2.gz GCTOSLPNPCBYAU-ZWNOBZJWSA-N -1 3 270.332 2.700 10 0 CFAEHM CC(=O)Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000405767287 543024381 /nfs/dbraw/zinc/02/43/81/543024381.db2.gz BGIRPIFQXQPMBB-UHFFFAOYSA-N -1 3 256.327 2.622 10 0 CFAEHM Nc1cccc2oc(-c3ccc([O-])cc3)cc(=O)c12 ZINC000013604396 170568478 /nfs/dbraw/zinc/56/84/78/170568478.db2.gz YYEHVLMUHQDZMO-UHFFFAOYSA-N -1 3 253.257 2.748 10 0 CFAEHM O=C(Nc1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020513917 171231482 /nfs/dbraw/zinc/23/14/82/171231482.db2.gz BUFOGIBQJZXEPQ-UHFFFAOYSA-N -1 3 280.291 2.511 10 0 CFAEHM O=C(Nc1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020513917 171231484 /nfs/dbraw/zinc/23/14/84/171231484.db2.gz BUFOGIBQJZXEPQ-UHFFFAOYSA-N -1 3 280.291 2.511 10 0 CFAEHM C[C@@H](N)c1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000022168878 171367181 /nfs/dbraw/zinc/36/71/81/171367181.db2.gz JKPRXLZZSWSASY-SNVBAGLBSA-N -1 3 294.351 2.646 10 0 CFAEHM COc1ccc(C(=O)c2cc([O-])cc(OC)c2)cc1 ZINC000026573485 171492760 /nfs/dbraw/zinc/49/27/60/171492760.db2.gz BUHLYXRGSCMHTQ-UHFFFAOYSA-N -1 3 258.273 2.640 10 0 CFAEHM Cc1c(Cl)c(CN[C@H](C)C(=O)[O-])nc2ccccc12 ZINC000035387927 172170303 /nfs/dbraw/zinc/17/03/03/172170303.db2.gz LCRQXVBHSCSXPT-SECBINFHSA-N -1 3 278.739 2.759 10 0 CFAEHM O=C([O-])[C@H](NC1CC1)c1ccc(Cl)cc1Cl ZINC000037183701 173015762 /nfs/dbraw/zinc/01/57/62/173015762.db2.gz ONXXOIRKDYGBOH-SNVBAGLBSA-N -1 3 260.120 2.871 10 0 CFAEHM CCN(CC(=O)c1cc(F)ccc1[O-])C1CCCC1 ZINC000037337534 173138304 /nfs/dbraw/zinc/13/83/04/173138304.db2.gz HJOCDMVAESVBNA-UHFFFAOYSA-N -1 3 265.328 2.979 10 0 CFAEHM CC(C)[C@@H](C)N(C)CC(=O)c1cc(F)ccc1[O-] ZINC000037339023 173140348 /nfs/dbraw/zinc/14/03/48/173140348.db2.gz XGHXABVKWIASBG-SNVBAGLBSA-N -1 3 253.317 2.690 10 0 CFAEHM CCN(CC)[C@@H](C(=O)[O-])c1ccccc1Br ZINC000037361404 173151169 /nfs/dbraw/zinc/15/11/69/173151169.db2.gz IPWKKYNFSVURJJ-LLVKDONJSA-N -1 3 286.169 2.917 10 0 CFAEHM CCCc1cc(=O)[n-]c(Cc2ccc(Cl)cc2)n1 ZINC000037409039 173185096 /nfs/dbraw/zinc/18/50/96/173185096.db2.gz VHQHEHWSKSKUIV-UHFFFAOYSA-N -1 3 262.740 2.967 10 0 CFAEHM CC[C@@H](C)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC000038066436 174077785 /nfs/dbraw/zinc/07/77/85/174077785.db2.gz BWKZQRXFFSJRAH-LDYMZIIASA-N -1 3 286.169 2.963 10 0 CFAEHM O=C([O-])[C@H](c1cc(F)ccc1F)N1CCCCCC1 ZINC000038086327 174097886 /nfs/dbraw/zinc/09/78/86/174097886.db2.gz WCVCHUBTLBJUGJ-ZDUSSCGKSA-N -1 3 269.291 2.967 10 0 CFAEHM Nc1[nH]c2ccccc2c(=O)c1-c1nc2ccccc2[n-]1 ZINC000038257837 174138277 /nfs/dbraw/zinc/13/82/77/174138277.db2.gz DLUJDIXYTYKEOE-UHFFFAOYSA-N -1 3 276.299 2.654 10 0 CFAEHM CC(C)[C@H](N[C@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000043429666 175042689 /nfs/dbraw/zinc/04/26/89/175042689.db2.gz WSYGKHDQKCUMDB-PELKAZGASA-N -1 3 257.280 2.725 10 0 CFAEHM CC(C)C[C@@H](NCc1cc(F)ccc1F)C(=O)[O-] ZINC000043433307 175044139 /nfs/dbraw/zinc/04/41/39/175044139.db2.gz NPUZIUIIGNLNIA-GFCCVEGCSA-N -1 3 257.280 2.554 10 0 CFAEHM NC(=O)[C@H](NC1CCCCCC1)c1ccc([O-])c(Cl)c1 ZINC000043489260 175056976 /nfs/dbraw/zinc/05/69/76/175056976.db2.gz XVPWEKYQCIPVHJ-CQSZACIVSA-N -1 3 296.798 2.884 10 0 CFAEHM COc1ccc([O-])c(C(=O)Nc2ccc(N)c(C)c2)c1 ZINC000043569971 175067704 /nfs/dbraw/zinc/06/77/04/175067704.db2.gz AUHQWFVQKAQNRS-UHFFFAOYSA-N -1 3 272.304 2.544 10 0 CFAEHM CNCc1cc(Cl)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000043625304 175081563 /nfs/dbraw/zinc/08/15/63/175081563.db2.gz MMYICWHXZWCVFW-LURJTMIESA-N -1 3 278.135 2.565 10 0 CFAEHM C[C@H](Oc1ccc2ccccc2c1CNC1CC1)C(=O)[O-] ZINC000043625289 175081696 /nfs/dbraw/zinc/08/16/96/175081696.db2.gz KLKCOONCXHQCFY-NSHDSACASA-N -1 3 285.343 2.944 10 0 CFAEHM O=c1ccnc(Cc2c(Cl)cccc2Cl)[n-]1 ZINC000044266145 175157658 /nfs/dbraw/zinc/15/76/58/175157658.db2.gz WIYRPJHIDZGHAY-UHFFFAOYSA-N -1 3 255.104 2.668 10 0 CFAEHM COc1cccc(C(=O)NC2(C)CCCCC2)c1[O-] ZINC000044366228 175167613 /nfs/dbraw/zinc/16/76/13/175167613.db2.gz DTLZYXTWFASAAS-UHFFFAOYSA-N -1 3 263.337 2.853 10 0 CFAEHM CC(C)c1n[n-]c(=S)n1C[C@H]1CCCCN1C ZINC000044563436 175206368 /nfs/dbraw/zinc/20/63/68/175206368.db2.gz VVVZPPZYWQMOHH-SNVBAGLBSA-N -1 3 254.403 2.548 10 0 CFAEHM O=C([O-])[C@H]1c2ccsc2CCN1Cc1cccs1 ZINC000044592333 175213469 /nfs/dbraw/zinc/21/34/69/175213469.db2.gz QAIPFDLBMJNJAB-GFCCVEGCSA-N -1 3 279.386 2.994 10 0 CFAEHM O=c1nc(CN[C@H]2C[C@@H]2c2ccccc2)[n-]c2ccsc21 ZINC000044677093 175227418 /nfs/dbraw/zinc/22/74/18/175227418.db2.gz PQPVWDMWCLIPJM-YPMHNXCESA-N -1 3 297.383 2.630 10 0 CFAEHM CC(C)C[C@@H](N[C@H](C)c1nn[n-]n1)c1ccccc1 ZINC000044888124 175271779 /nfs/dbraw/zinc/27/17/79/175271779.db2.gz OTJSYMZFLQEYOH-DGCLKSJQSA-N -1 3 259.357 2.638 10 0 CFAEHM CC(C)C[C@@H](N[C@H](C)c1nnn[n-]1)c1ccccc1 ZINC000044888124 175271781 /nfs/dbraw/zinc/27/17/81/175271781.db2.gz OTJSYMZFLQEYOH-DGCLKSJQSA-N -1 3 259.357 2.638 10 0 CFAEHM Cc1cc(C)c([C@H](C)N[C@@H](C)c2nn[n-]n2)c(C)c1 ZINC000044923035 175277505 /nfs/dbraw/zinc/27/75/05/175277505.db2.gz GUENYNGYPVTDIY-RYUDHWBXSA-N -1 3 259.357 2.537 10 0 CFAEHM Cc1cc(C)c([C@H](C)N[C@@H](C)c2nnn[n-]2)c(C)c1 ZINC000044923035 175277506 /nfs/dbraw/zinc/27/75/06/175277506.db2.gz GUENYNGYPVTDIY-RYUDHWBXSA-N -1 3 259.357 2.537 10 0 CFAEHM Cc1cc(CNc2c(C(=O)[O-])cnc3ccccc32)on1 ZINC000045010913 175289893 /nfs/dbraw/zinc/28/98/93/175289893.db2.gz XVYPBJZLRMCYBY-UHFFFAOYSA-N -1 3 283.287 2.842 10 0 CFAEHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(N)cc1F ZINC000076475250 177025323 /nfs/dbraw/zinc/02/53/23/177025323.db2.gz AKUHSEIYUVMYJS-UHFFFAOYSA-N -1 3 280.324 2.517 10 0 CFAEHM CCCCN(CCCC)Cc1oncc1C(=O)[O-] ZINC000077055643 177164382 /nfs/dbraw/zinc/16/43/82/177164382.db2.gz IPCPCRBMAFILPP-UHFFFAOYSA-N -1 3 254.330 2.775 10 0 CFAEHM C[C@H](CN1CCCCC1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000077319537 177251733 /nfs/dbraw/zinc/25/17/33/177251733.db2.gz DUFFTQXSWOMYLQ-GFCCVEGCSA-N -1 3 275.348 2.690 10 0 in-vitro CFAEHM C[C@H]1Cc2ccccc2N1c1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000057342597 280032644 /nfs/dbraw/zinc/03/26/44/280032644.db2.gz ZOKJTTSJRAVDRD-QMMMGPOBSA-N -1 3 295.264 2.871 10 0 CFAEHM Cc1cc(C)c(C(=O)[O-])c(N[C@@H](C)c2ccncc2)n1 ZINC000037978365 301172644 /nfs/dbraw/zinc/17/26/44/301172644.db2.gz XECWANRAFGBAJI-NSHDSACASA-N -1 3 271.320 2.965 10 0 CFAEHM [O-]c1c(-c2nc([C@@H]3CCOC3)no2)ccc2c1CCCC2 ZINC000350566637 324232810 /nfs/dbraw/zinc/23/28/10/324232810.db2.gz FEHURKHALUGKGB-LLVKDONJSA-N -1 3 286.331 2.825 10 0 CFAEHM CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000049560321 519775480 /nfs/dbraw/zinc/77/54/80/519775480.db2.gz RVDUKZHRDNRTKS-LBPRGKRZSA-N -1 3 298.814 2.752 10 0 CFAEHM CCN(C(=O)c1cccc(OC)c1[O-])c1ccccc1N ZINC000050453577 520101106 /nfs/dbraw/zinc/10/11/06/520101106.db2.gz WCECZEVDILXQCB-UHFFFAOYSA-N -1 3 286.331 2.650 10 0 CFAEHM CCN[C@@](COC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000045505317 520156124 /nfs/dbraw/zinc/15/61/24/520156124.db2.gz XSHNXDBGHBRCGN-QGZVFWFLSA-N -1 3 291.391 2.925 10 0 CFAEHM CN(C)CCc1nc(-c2ccccc2)c(C(=O)[O-])s1 ZINC000062493061 521816769 /nfs/dbraw/zinc/81/67/69/521816769.db2.gz GHLBMRUJDMIAPA-UHFFFAOYSA-N -1 3 276.361 2.612 10 0 CFAEHM CC[C@H](NS(=O)(=O)c1ccc([O-])cc1)c1cccs1 ZINC000049532621 522681854 /nfs/dbraw/zinc/68/18/54/522681854.db2.gz SQJXFFQNZYMFJV-LBPRGKRZSA-N -1 3 297.401 2.883 10 0 CFAEHM CCn1ccnc1NCC1(CC(=O)[O-])CCCCC1 ZINC000050607789 523549453 /nfs/dbraw/zinc/54/94/53/523549453.db2.gz GCYFLPIMJGDYGV-UHFFFAOYSA-N -1 3 265.357 2.740 10 0 CFAEHM C[C@@H]1CCCN1Cc1ccc(F)cc1/C=C/C(=O)[O-] ZINC000049625795 524260205 /nfs/dbraw/zinc/26/02/05/524260205.db2.gz VMWBQEFVTUKTDG-OKPNEXGHSA-N -1 3 263.312 2.908 10 0 CFAEHM COc1ccc(NC(=O)c2ccc([O-])cc2)cc1C ZINC000049532395 524637819 /nfs/dbraw/zinc/63/78/19/524637819.db2.gz DKPHIYIKAISIIH-UHFFFAOYSA-N -1 3 257.289 2.962 10 0 CFAEHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)cc(C)c1O ZINC000050509406 524764498 /nfs/dbraw/zinc/76/44/98/524764498.db2.gz JSZKEDNUTIHNDZ-OAHLLOKOSA-N -1 3 285.343 2.925 10 0 CFAEHM COc1ccc([C@@H](N[C@@H](C)C(=O)[O-])c2ccccc2)cc1 ZINC000049355838 525201663 /nfs/dbraw/zinc/20/16/63/525201663.db2.gz GSCAUVBRPVWPAC-LRDDRELGSA-N -1 3 285.343 2.847 10 0 CFAEHM C[C@@H](NC(=O)c1c[n-]nn1)c1ccc(Cl)c(Cl)c1 ZINC000049216068 525377278 /nfs/dbraw/zinc/37/72/78/525377278.db2.gz COWAMVLDGAGTNN-ZCFIWIBFSA-N -1 3 285.134 2.603 10 0 CFAEHM C[C@@H](NC(=O)c1cnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000049216068 525377285 /nfs/dbraw/zinc/37/72/85/525377285.db2.gz COWAMVLDGAGTNN-ZCFIWIBFSA-N -1 3 285.134 2.603 10 0 CFAEHM C[C@@H](NC(=O)c1cn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000049216068 525377294 /nfs/dbraw/zinc/37/72/94/525377294.db2.gz COWAMVLDGAGTNN-ZCFIWIBFSA-N -1 3 285.134 2.603 10 0 CFAEHM C[C@H](N[C@H]1CCOc2c(Cl)cc(Cl)cc21)C(=O)[O-] ZINC000049357884 525625699 /nfs/dbraw/zinc/62/56/99/525625699.db2.gz DFSJTQRJBOUNHY-WKEGUHRASA-N -1 3 290.146 2.880 10 0 CFAEHM C[C@@H](c1ccc(F)cc1)n1ccc(=O)[n-]c1=S ZINC000052313094 526057991 /nfs/dbraw/zinc/05/79/91/526057991.db2.gz BOZBEBVMNKUCQK-QMMMGPOBSA-N -1 3 250.298 2.654 10 0 CFAEHM O=C([O-])c1ccc(NC(=O)CNC2CCCC2)cc1Cl ZINC000048814574 526374678 /nfs/dbraw/zinc/37/46/78/526374678.db2.gz JRTMOFAIJLAGSP-UHFFFAOYSA-N -1 3 296.754 2.509 10 0 CFAEHM Cc1nc(Cc2ccccc2F)[n-]c(=O)c1C(C)C ZINC000061688316 526927777 /nfs/dbraw/zinc/92/77/77/526927777.db2.gz BVHVMFIXKCEWSW-UHFFFAOYSA-N -1 3 260.312 2.932 10 0 CFAEHM O=c1ccn([C@@H]2CCCc3ccccc32)c(=S)[n-]1 ZINC000052312943 527492182 /nfs/dbraw/zinc/49/21/82/527492182.db2.gz MJHKYWFFGACXQU-GFCCVEGCSA-N -1 3 258.346 2.832 10 0 CFAEHM Cc1ccc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000235355241 574165875 /nfs/dbraw/zinc/16/58/75/574165875.db2.gz LVXVSUDLGHPQJQ-ZYHUDNBSSA-N -1 3 267.756 2.801 10 0 CFAEHM C[C@H](C(=O)[O-])N(C)Cc1cc(C(F)(F)F)ccc1F ZINC000263399362 620139796 /nfs/dbraw/zinc/13/97/96/620139796.db2.gz HOHPSIILNUXLSD-SSDOTTSWSA-N -1 3 279.233 2.749 10 0 CFAEHM CC(C)Oc1ccc([O-])c(I)c1 ZINC000095710740 185018409 /nfs/dbraw/zinc/01/84/09/185018409.db2.gz JZHLLKZDKKIESV-UHFFFAOYSA-N -1 3 278.089 2.784 10 0 CFAEHM [O-]c1cc(I)cc(OCC2CC2)c1 ZINC000095722601 185019805 /nfs/dbraw/zinc/01/98/05/185019805.db2.gz KIIGHCJHFBMTGD-UHFFFAOYSA-N -1 3 290.100 2.786 10 0 CFAEHM COc1ccc(C(=O)Nc2ccc([O-])c(F)c2)cc1 ZINC000085200581 178968876 /nfs/dbraw/zinc/96/88/76/178968876.db2.gz SYWVJSJRVDWSLO-UHFFFAOYSA-N -1 3 261.252 2.792 10 0 CFAEHM CCOC(=O)/C=C/c1ccc(Br)c([O-])c1 ZINC000038874414 346339776 /nfs/dbraw/zinc/33/97/76/346339776.db2.gz DYKYKHGCEKZYIU-GQCTYLIASA-N -1 3 271.110 2.731 10 0 CFAEHM O=c1[n-]c(=S)[nH]cc1CCCCc1ccccc1 ZINC000039346869 346343465 /nfs/dbraw/zinc/34/34/65/346343465.db2.gz CFSBKOYOODINFL-UHFFFAOYSA-N -1 3 260.362 2.998 10 0 CFAEHM C=CCN1C[C@H](C(=O)[O-])C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000082113855 347442069 /nfs/dbraw/zinc/44/20/69/347442069.db2.gz YAICYXFUKKMAKO-XNRPHZJLSA-N -1 3 296.370 2.769 10 0 CFAEHM CCc1ccc([O-])c(C(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000131928441 347881629 /nfs/dbraw/zinc/88/16/29/347881629.db2.gz AWNHUWKDFQQXQU-UHFFFAOYSA-N -1 3 299.374 2.698 10 0 CFAEHM Cc1nc2c(c(=O)[n-]1)CCC[C@]2(C)c1ccccc1 ZINC000143487820 347937761 /nfs/dbraw/zinc/93/77/61/347937761.db2.gz MGTKKFBTKMVRLB-MRXNPFEDSA-N -1 3 254.333 2.721 10 0 CFAEHM CC[C@@H](C(=O)[O-])N(C)[C@@H](C)c1cc(F)ccc1F ZINC000086802504 179336877 /nfs/dbraw/zinc/33/68/77/179336877.db2.gz FHOYCDRMGOBLSY-UFBFGSQYSA-N -1 3 257.280 2.821 10 0 CFAEHM CC(C)C[C@@H](c1ccccc1)N1CCO[C@H](C(=O)[O-])C1 ZINC000086805475 179338347 /nfs/dbraw/zinc/33/83/47/179338347.db2.gz RLJRYGBXTSBWKB-GJZGRUSLSA-N -1 3 277.364 2.559 10 0 CFAEHM COc1ccc2cc([C@H](C)N3CC(C(=O)[O-])C3)ccc2c1 ZINC000086810598 179340349 /nfs/dbraw/zinc/34/03/49/179340349.db2.gz LNMRFVFNUMCJCG-NSHDSACASA-N -1 3 285.343 2.926 10 0 CFAEHM C[C@H](c1ccc2ccccc2c1)N1CC(C(=O)[O-])C1 ZINC000086811223 179340386 /nfs/dbraw/zinc/34/03/86/179340386.db2.gz BQSYFBAJESDUIX-LLVKDONJSA-N -1 3 255.317 2.917 10 0 CFAEHM C[C@@H](c1ccc(OC(F)F)cc1)N1CC(CC(=O)[O-])C1 ZINC000086811382 179341486 /nfs/dbraw/zinc/34/14/86/179341486.db2.gz FWAYMZDDCFDKBQ-VIFPVBQESA-N -1 3 285.290 2.756 10 0 CFAEHM CCc1nc(C2CC2)[n-]c(=S)c1Br ZINC000234190778 348219692 /nfs/dbraw/zinc/21/96/92/348219692.db2.gz KBMMTZQQXWXHKR-UHFFFAOYSA-N -1 3 259.172 2.968 10 0 CFAEHM C[C@H](C(=O)NCCc1cc([O-])cc(F)c1)C(C)(C)C ZINC000725262734 539619078 /nfs/dbraw/zinc/61/90/78/539619078.db2.gz JRZVNNJGTMHHNJ-SNVBAGLBSA-N -1 3 267.344 2.872 10 0 CFAEHM CC[C@@H]1CN(CCC2(C(=O)[O-])CCC2)C[C@@H](CC)O1 ZINC000725263314 539620074 /nfs/dbraw/zinc/62/00/74/539620074.db2.gz ITNNAWPFAAYHBL-CHWSQXEVSA-N -1 3 269.385 2.521 10 0 CFAEHM CC(C)(C)OC(=O)c1nn[n-]c1[C@@H]1CCCC12CC2 ZINC000725266400 539623058 /nfs/dbraw/zinc/62/30/58/539623058.db2.gz UIIASYCOYYKVTG-VIFPVBQESA-N -1 3 263.341 2.808 10 0 CFAEHM CC(C)(C)OC(=O)c1[n-]nnc1[C@@H]1CCCC12CC2 ZINC000725266400 539623061 /nfs/dbraw/zinc/62/30/61/539623061.db2.gz UIIASYCOYYKVTG-VIFPVBQESA-N -1 3 263.341 2.808 10 0 CFAEHM CC(C)(C)OC(=O)c1n[n-]nc1[C@@H]1CCCC12CC2 ZINC000725266400 539623062 /nfs/dbraw/zinc/62/30/62/539623062.db2.gz UIIASYCOYYKVTG-VIFPVBQESA-N -1 3 263.341 2.808 10 0 CFAEHM CC(C)(C)OC(=O)c1nn[n-]c1[C@H]1CCC(F)(F)C1 ZINC000725266398 539623385 /nfs/dbraw/zinc/62/33/85/539623385.db2.gz UEVSJXAOWYVJMG-ZETCQYMHSA-N -1 3 273.283 2.663 10 0 CFAEHM CC(C)(C)OC(=O)c1[n-]nnc1[C@H]1CCC(F)(F)C1 ZINC000725266398 539623387 /nfs/dbraw/zinc/62/33/87/539623387.db2.gz UEVSJXAOWYVJMG-ZETCQYMHSA-N -1 3 273.283 2.663 10 0 CFAEHM CC(C)(C)OC(=O)c1n[n-]nc1[C@H]1CCC(F)(F)C1 ZINC000725266398 539623392 /nfs/dbraw/zinc/62/33/92/539623392.db2.gz UEVSJXAOWYVJMG-ZETCQYMHSA-N -1 3 273.283 2.663 10 0 CFAEHM [O-]c1cc(C(F)(F)F)c(CO)c(C(F)(F)F)c1 ZINC000514285368 348641816 /nfs/dbraw/zinc/64/18/16/348641816.db2.gz FFXYWGLEADAQRV-UHFFFAOYSA-N -1 3 260.133 2.922 10 0 CFAEHM Cc1cnn([C@@H]2CCCN(C(=O)c3cccc(C)c3[O-])C2)c1 ZINC000105885832 186082612 /nfs/dbraw/zinc/08/26/12/186082612.db2.gz HZHAJRRXHVJMHD-CQSZACIVSA-N -1 3 299.374 2.683 10 0 CFAEHM CCOC(=O)c1c(=O)cc(-c2ccc(C)cc2)[nH]c1[O-] ZINC000616588167 352376248 /nfs/dbraw/zinc/37/62/48/352376248.db2.gz CLRNQOIVRBOJNN-UHFFFAOYSA-N -1 3 273.288 2.645 10 0 CFAEHM CCOC(=O)c1c([O-])cc(-c2ccc(C)cc2)[nH]c1=O ZINC000616588167 352376252 /nfs/dbraw/zinc/37/62/52/352376252.db2.gz CLRNQOIVRBOJNN-UHFFFAOYSA-N -1 3 273.288 2.645 10 0 CFAEHM O=C([O-])c1ccc([C@H]2CNCCN2Cc2ccccc2)cc1 ZINC000616635433 352393743 /nfs/dbraw/zinc/39/37/43/352393743.db2.gz CFXIUWOFRDDGIR-QGZVFWFLSA-N -1 3 296.370 2.531 10 0 CFAEHM O=C([O-])c1ccccc1[C@H]1CN(Cc2ccccc2)CCN1 ZINC000616633371 352394245 /nfs/dbraw/zinc/39/42/45/352394245.db2.gz SEWKJFCFDRLKLN-QGZVFWFLSA-N -1 3 296.370 2.531 10 0 CFAEHM COc1ccc([O-])c(-c2nc([C@@H](OC)C3CC3)no2)c1 ZINC000157412538 188315782 /nfs/dbraw/zinc/31/57/82/188315782.db2.gz VZSDMYDRQFGDRY-LBPRGKRZSA-N -1 3 276.292 2.548 10 0 CFAEHM Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000179730401 189216782 /nfs/dbraw/zinc/21/67/82/189216782.db2.gz AQNPBWRURQJGHO-CQSZACIVSA-N -1 3 299.374 2.510 10 0 CFAEHM Cc1ccc(COc2ccc([C@H](N)C(=O)[O-])cc2)cc1 ZINC000004227570 371842049 /nfs/dbraw/zinc/84/20/49/371842049.db2.gz QYKMTIUFUJUVJE-HNNXBMFYSA-N -1 3 271.316 2.658 10 0 CFAEHM O=c1nc(CNC2CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000031933797 372422501 /nfs/dbraw/zinc/42/25/01/372422501.db2.gz UZWFODHXJPQBSP-UHFFFAOYSA-N -1 3 297.383 2.904 10 0 CFAEHM O=C([N-]c1ccc(Br)cc1F)c1ccno1 ZINC000036719829 372586879 /nfs/dbraw/zinc/58/68/79/372586879.db2.gz GKVQLSSNADOBEV-UHFFFAOYSA-N -1 3 285.072 2.829 10 0 CFAEHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@@H]1c1ccco1 ZINC000492396807 246278779 /nfs/dbraw/zinc/27/87/79/246278779.db2.gz JACSWXOJQFIWHS-GEXIGZQTSA-N -1 3 284.315 2.757 10 0 CFAEHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000181627665 380845728 /nfs/dbraw/zinc/84/57/28/380845728.db2.gz SMTUHBSEQKKYIP-SECBINFHSA-N -1 3 293.317 2.874 10 0 CFAEHM CS[C@@H]1CC[C@H]1N=c1[n-]c(Br)cs1 ZINC000575548697 382773684 /nfs/dbraw/zinc/77/36/84/382773684.db2.gz GAAIYDVBAWEDTH-PHDIDXHHSA-N -1 3 279.228 2.633 10 0 CFAEHM O=Cc1cc([O-])c(OC(F)F)c(C(F)(F)F)c1 ZINC000575661462 382781112 /nfs/dbraw/zinc/78/11/12/382781112.db2.gz GRDSELOVPCCXDV-UHFFFAOYSA-N -1 3 256.126 2.825 10 0 CFAEHM O=Cc1cc(C(F)(F)F)cc(OC(F)F)c1[O-] ZINC000575662379 382782121 /nfs/dbraw/zinc/78/21/21/382782121.db2.gz YLWHSJKIZDWWIJ-UHFFFAOYSA-N -1 3 256.126 2.825 10 0 CFAEHM O=Cc1c(Br)ccc([O-])c1OC(F)F ZINC000575682032 382786261 /nfs/dbraw/zinc/78/62/61/382786261.db2.gz KDSXRFANODCAPF-UHFFFAOYSA-N -1 3 267.025 2.569 10 0 CFAEHM CCOc1cc([O-])c(I)c(CC)c1 ZINC000575696974 382789777 /nfs/dbraw/zinc/78/97/77/382789777.db2.gz RPVGZLMQBWGZHK-UHFFFAOYSA-N -1 3 292.116 2.958 10 0 CFAEHM CCOC(=O)Cc1c(CC)ccc([O-])c1Br ZINC000575698964 382790627 /nfs/dbraw/zinc/79/06/27/382790627.db2.gz FPXJAUOOIXKBEG-UHFFFAOYSA-N -1 3 287.153 2.823 10 0 CFAEHM CCOC(=O)Cc1cc(Br)c(C)cc1[O-] ZINC000260371121 383505246 /nfs/dbraw/zinc/50/52/46/383505246.db2.gz CHJGELXAWFZTQO-UHFFFAOYSA-N -1 3 273.126 2.569 10 0 CFAEHM O=c1cc(-c2ccccn2)nc(-c2cccc(F)c2)[n-]1 ZINC000045950171 285216610 /nfs/dbraw/zinc/21/66/10/285216610.db2.gz UALIKQDLBIQZAW-UHFFFAOYSA-N -1 3 267.263 2.638 10 0 CFAEHM CN1CCC[C@@H](C(=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000068593667 393633975 /nfs/dbraw/zinc/63/39/75/393633975.db2.gz NLGJBZSAVIJXON-NEPJUHHUSA-N -1 3 253.729 2.808 10 0 CFAEHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccc2c(c1)OCCO2 ZINC000193977378 393669170 /nfs/dbraw/zinc/66/91/70/393669170.db2.gz AYKRRXYJIKOWRQ-NSHDSACASA-N -1 3 299.326 2.654 10 0 CFAEHM Cc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000094148963 393807697 /nfs/dbraw/zinc/80/76/97/393807697.db2.gz HGNOQDZGADWKKT-AWEZNQCLSA-N -1 3 285.347 2.791 10 0 CFAEHM CC[C@H](C(=O)[O-])N1CCc2ccc(Cl)cc2C1 ZINC000263578204 393963273 /nfs/dbraw/zinc/96/32/73/393963273.db2.gz SKSJVPFKSOMKFH-GFCCVEGCSA-N -1 3 253.729 2.561 10 0 CFAEHM C[C@H](NC(=O)c1c([O-])cccc1O)c1ccc(F)c(F)c1 ZINC000125563395 394008978 /nfs/dbraw/zinc/00/89/78/394008978.db2.gz BYGJSHRCEHQNCY-QMMMGPOBSA-N -1 3 293.269 2.867 10 0 CFAEHM CCN(CC)C(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000584646456 395099164 /nfs/dbraw/zinc/09/91/64/395099164.db2.gz URHAWLQYLXWVKM-UHFFFAOYSA-N -1 3 261.243 2.893 10 0 CFAEHM Cc1ccccc1[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000182670711 543031607 /nfs/dbraw/zinc/03/16/07/543031607.db2.gz JJWVFUXMQNPCSI-NSHDSACASA-N -1 3 280.331 2.757 10 0 CFAEHM Cc1ccccc1[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000182670711 543031611 /nfs/dbraw/zinc/03/16/11/543031611.db2.gz JJWVFUXMQNPCSI-NSHDSACASA-N -1 3 280.331 2.757 10 0 CFAEHM Cc1ccccc1[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000182670711 543031615 /nfs/dbraw/zinc/03/16/15/543031615.db2.gz JJWVFUXMQNPCSI-NSHDSACASA-N -1 3 280.331 2.757 10 0 CFAEHM [O-]c1cc2cccnc2cc1I ZINC000238725135 296590991 /nfs/dbraw/zinc/59/09/91/296590991.db2.gz XJMLLIVTKBBPCU-UHFFFAOYSA-N -1 3 271.057 2.545 10 0 CFAEHM Cc1cccc(NCc2c([O-])c(C)ncc2CO)c1C ZINC000006900471 170254002 /nfs/dbraw/zinc/25/40/02/170254002.db2.gz RSSNRLORKIYIST-UHFFFAOYSA-N -1 3 272.348 2.817 10 0 CFAEHM COC(=O)c1ccccc1NC(=O)c1cc(C)ccc1[O-] ZINC000035179092 172031869 /nfs/dbraw/zinc/03/18/69/172031869.db2.gz NREQGXGXUDPBHW-UHFFFAOYSA-N -1 3 285.299 2.740 10 0 CFAEHM Cc1ccc2cc(CN[C@H](C)C(=O)[O-])c(Cl)nc2c1 ZINC000035388225 172170254 /nfs/dbraw/zinc/17/02/54/172170254.db2.gz MHQVVJAKGMKTJJ-SECBINFHSA-N -1 3 278.739 2.759 10 0 CFAEHM CCCN[C@@H](C(=O)[O-])c1cc(Br)ccc1F ZINC000037182615 173014840 /nfs/dbraw/zinc/01/48/40/173014840.db2.gz YJHFOKWYVROWRZ-SNVBAGLBSA-N -1 3 290.132 2.714 10 0 CFAEHM CC(=O)c1cc(F)cc(CSc2nncs2)c1[O-] ZINC000037331340 173132349 /nfs/dbraw/zinc/13/23/49/173132349.db2.gz YYAPANWGKFEBRR-UHFFFAOYSA-N -1 3 284.337 2.878 10 0 CFAEHM CCCN(CC(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000037335327 173136913 /nfs/dbraw/zinc/13/69/13/173136913.db2.gz LAWGUHFJQXNUPS-UHFFFAOYSA-N -1 3 251.301 2.588 10 0 CFAEHM CCOc1ccc(NC(=O)c2ccc([O-])cc2)cc1CO ZINC000038033532 174031180 /nfs/dbraw/zinc/03/11/80/174031180.db2.gz VZCWKKMDPWMREW-UHFFFAOYSA-N -1 3 287.315 2.536 10 0 CFAEHM CC[C@H](C)N[C@](C)(C(=O)[O-])c1cc(F)ccc1F ZINC000038065915 174076728 /nfs/dbraw/zinc/07/67/28/174076728.db2.gz MQXQJICRQKQWLX-SDBXPKJASA-N -1 3 257.280 2.653 10 0 CFAEHM CC[C@@H](C)N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000038066404 174077684 /nfs/dbraw/zinc/07/76/84/174077684.db2.gz SWUURZRWOGKPSQ-RDDDGLTNSA-N -1 3 259.708 2.993 10 0 CFAEHM CC[C@H](C)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC000038066437 174077744 /nfs/dbraw/zinc/07/77/44/174077744.db2.gz BWKZQRXFFSJRAH-GZMMTYOYSA-N -1 3 286.169 2.963 10 0 CFAEHM 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CN[C@@](COC1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC000045465152 522426892 /nfs/dbraw/zinc/42/68/92/522426892.db2.gz JMDWWHVINGGJCI-QGZVFWFLSA-N -1 3 291.391 2.925 10 0 CFAEHM CNc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000050662713 522664560 /nfs/dbraw/zinc/66/45/60/522664560.db2.gz LIXMXQBAXRPBQD-UHFFFAOYSA-N -1 3 298.314 2.807 10 0 CFAEHM CCn1c(=O)[n-]nc1Sc1ccc(C(C)=O)cc1Cl ZINC000061696999 523096254 /nfs/dbraw/zinc/09/62/54/523096254.db2.gz UBEIQYKYSJNQFJ-UHFFFAOYSA-N -1 3 297.767 2.599 10 0 CFAEHM CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([O-])cc2)C1 ZINC000085061396 523281819 /nfs/dbraw/zinc/28/18/19/523281819.db2.gz WQQWNFIYUWYDBD-VXGBXAGGSA-N -1 3 283.393 2.639 10 0 CFAEHM CN(c1cc(Cl)ccc1C(=O)[O-])C1CCN(C)CC1 ZINC000062787492 523632267 /nfs/dbraw/zinc/63/22/67/523632267.db2.gz CGHYUAVGXIXCMK-UHFFFAOYSA-N -1 3 282.771 2.569 10 0 CFAEHM CN1CCCC[C@H]1CNc1cccc(Cl)c1C(=O)[O-] ZINC000054530499 523800574 /nfs/dbraw/zinc/80/05/74/523800574.db2.gz MWSLDBOJSYKWOZ-JTQLQIEISA-N -1 3 282.771 2.934 10 0 CFAEHM Cc1cc(C(=O)N[C@H]2COc3ccccc32)ccc1[O-] ZINC000226717402 524155037 /nfs/dbraw/zinc/15/50/37/524155037.db2.gz DWXDXGPVTCMSQV-ZDUSSCGKSA-N -1 3 269.300 2.564 10 0 CFAEHM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccncc1 ZINC000050508551 525588700 /nfs/dbraw/zinc/58/87/00/525588700.db2.gz HFHQMFDQUOLZOP-BXUZGUMPSA-N -1 3 256.305 2.558 10 0 CFAEHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2N)cc1 ZINC000050439491 525595695 /nfs/dbraw/zinc/59/56/95/525595695.db2.gz MRGUAOPICNBNNW-UHFFFAOYSA-N -1 3 290.388 2.995 10 0 CFAEHM [O-]c1cncc(/C=C/c2nc(Cc3ccccc3)no2)c1 ZINC000131901023 526376202 /nfs/dbraw/zinc/37/62/02/526376202.db2.gz JHPTYXVBLURFIW-VOTSOKGWSA-N -1 3 279.299 2.931 10 0 CFAEHM CC(C)c1ccc(NC(=O)[C@@H](N)CC(=O)[O-])c(C(C)C)c1 ZINC000085813522 650792861 /nfs/dbraw/zinc/79/28/61/650792861.db2.gz PBDRCSZJBGGCAZ-ZDUSSCGKSA-N -1 3 292.379 2.674 10 0 CFAEHM O=c1cccc2[nH]c3c([N+](=O)[O-])ccc(Cl)c3c([O-])c1-2 ZINC000034142902 346315184 /nfs/dbraw/zinc/31/51/84/346315184.db2.gz WUQHUORXWJEZFW-UHFFFAOYSA-N -1 3 290.662 2.949 10 0 CFAEHM O=c1c2c([O-])cccc2[nH]c2c([N+](=O)[O-])ccc(Cl)c12 ZINC000034142902 346315189 /nfs/dbraw/zinc/31/51/89/346315189.db2.gz WUQHUORXWJEZFW-UHFFFAOYSA-N -1 3 290.662 2.949 10 0 CFAEHM CCC(=O)c1c(OC)cc(OC)c(C(=O)CC)c1[O-] ZINC000135827947 347908282 /nfs/dbraw/zinc/90/82/82/347908282.db2.gz KPSRASKLXAHQRO-UHFFFAOYSA-N -1 3 266.293 2.595 10 0 CFAEHM O=C([O-])C[C@H]1CCCN1Cc1ccc(Cl)c(F)c1 ZINC000086791036 179335753 /nfs/dbraw/zinc/33/57/53/179335753.db2.gz XRFJUENQZCWJHZ-SNVBAGLBSA-N -1 3 271.719 2.918 10 0 CFAEHM CN(CCCC(=O)[O-])[C@H](c1ccccc1)c1ccccn1 ZINC000086801985 179337661 /nfs/dbraw/zinc/33/76/61/179337661.db2.gz CAHFKJYMSBWMFW-QGZVFWFLSA-N -1 3 284.359 2.968 10 0 CFAEHM C[C@H](c1ccncc1)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000086806296 179338121 /nfs/dbraw/zinc/33/81/21/179338121.db2.gz RVFRVIJROISYCN-MLGOLLRUSA-N -1 3 282.343 2.827 10 0 CFAEHM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000086783030 179330772 /nfs/dbraw/zinc/33/07/72/179330772.db2.gz AXPZWTCYKCALSP-CQSZACIVSA-N -1 3 269.291 2.652 10 0 CFAEHM Cc1nc(-c2ncc(Cl)cc2Cl)[n-]c(=NN)c1F ZINC000086784342 179332388 /nfs/dbraw/zinc/33/23/88/179332388.db2.gz KWZJZMQLKOWIMP-UHFFFAOYSA-N -1 3 288.113 2.579 10 0 CFAEHM CCC1(C(=O)[O-])CCN([C@@H](C)c2ccco2)CC1 ZINC000086788257 179333653 /nfs/dbraw/zinc/33/36/53/179333653.db2.gz KZRMBPZDXJKJGC-NSHDSACASA-N -1 3 251.326 2.917 10 0 CFAEHM C[C@H](c1ccccn1)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000086806624 179339285 /nfs/dbraw/zinc/33/92/85/179339285.db2.gz XODYUNPPCUDUDO-MLGOLLRUSA-N -1 3 282.343 2.827 10 0 CFAEHM CC[C@H](c1ccc(OC)cc1)N1CC(CC(=O)[O-])C1 ZINC000086811856 179341595 /nfs/dbraw/zinc/34/15/95/179341595.db2.gz GIHNDBNWJYWTAA-CQSZACIVSA-N -1 3 263.337 2.553 10 0 CFAEHM CC[C@H](c1ccc(F)cc1)N1CC(CC(=O)[O-])C1 ZINC000086811814 179341631 /nfs/dbraw/zinc/34/16/31/179341631.db2.gz WPVVMFNXBIOPEZ-CYBMUJFWSA-N -1 3 251.301 2.683 10 0 CFAEHM O=c1[n-]c(Cc2ccccc2)ncc1-c1ccc(O)cc1 ZINC000167097404 348044080 /nfs/dbraw/zinc/04/40/80/348044080.db2.gz MHICXSXJKPJWLW-UHFFFAOYSA-N -1 3 278.311 2.733 10 0 CFAEHM CC(C)[C@@H]1CCCN(Cc2oncc2C(=O)[O-])CC1 ZINC000311400047 348412317 /nfs/dbraw/zinc/41/23/17/348412317.db2.gz GWJNDXNYZLNTCJ-LLVKDONJSA-N -1 3 266.341 2.631 10 0 CFAEHM COC(=O)c1cnc(-c2cscc2Br)[n-]1 ZINC000306802416 348392685 /nfs/dbraw/zinc/39/26/85/348392685.db2.gz TVEKOKOFSVVZRR-UHFFFAOYSA-N -1 3 287.138 2.687 10 0 CFAEHM COC(=O)c1c[n-]c(-c2cscc2Br)n1 ZINC000306802416 348392686 /nfs/dbraw/zinc/39/26/86/348392686.db2.gz TVEKOKOFSVVZRR-UHFFFAOYSA-N -1 3 287.138 2.687 10 0 CFAEHM COC(=O)C(=C(C)[O-])c1ccccc1Br ZINC000584606835 348687736 /nfs/dbraw/zinc/68/77/36/348687736.db2.gz AOMDIAMZPFMLEP-YFHOEESVSA-N -1 3 271.110 2.911 10 0 CFAEHM CCN(C=CC(=S)[N-]C(=O)OC(C)(C)C)CC ZINC000104676329 186011854 /nfs/dbraw/zinc/01/18/54/186011854.db2.gz HRHZOCCWCMUPQM-CMDGGOBGSA-N -1 3 258.387 2.694 10 0 CFAEHM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000105882220 186082856 /nfs/dbraw/zinc/08/28/56/186082856.db2.gz PZNPQJZVWNEYRA-AWEZNQCLSA-N -1 3 299.374 2.720 10 0 CFAEHM C[C@H](NC(=O)c1c[n-]nn1)c1ccc(Cl)c(Cl)c1 ZINC000108630345 186224260 /nfs/dbraw/zinc/22/42/60/186224260.db2.gz COWAMVLDGAGTNN-LURJTMIESA-N -1 3 285.134 2.603 10 0 CFAEHM C[C@H](NC(=O)c1cnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000108630345 186224262 /nfs/dbraw/zinc/22/42/62/186224262.db2.gz COWAMVLDGAGTNN-LURJTMIESA-N -1 3 285.134 2.603 10 0 CFAEHM C[C@H](NC(=O)c1cn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000108630345 186224264 /nfs/dbraw/zinc/22/42/64/186224264.db2.gz COWAMVLDGAGTNN-LURJTMIESA-N -1 3 285.134 2.603 10 0 CFAEHM C[C@H]1CC(CNC(=O)c2cc([O-])ccc2Cl)C[C@H](C)O1 ZINC000291668598 198056927 /nfs/dbraw/zinc/05/69/27/198056927.db2.gz WBIIQDHABPJLFE-UWVGGRQHSA-N -1 3 297.782 2.979 10 0 CFAEHM CC(C)N1CCO[C@@H](c2ccc(C(=O)[O-])cc2)CC1 ZINC000616594099 352377812 /nfs/dbraw/zinc/37/78/12/352377812.db2.gz ODEHGBYBWFAVGF-CQSZACIVSA-N -1 3 263.337 2.557 10 0 CFAEHM CN1CCc2ccccc2[C@H]1c1ccccc1C(=O)[O-] ZINC000616680469 352410323 /nfs/dbraw/zinc/41/03/23/352410323.db2.gz VRAJNAOKVIWVQY-INIZCTEOSA-N -1 3 267.328 2.962 10 0 CFAEHM CC(C)N1C[C@H](NC(=O)c2ccc([O-])c(Cl)c2)[C@@H](C)C1 ZINC000155426392 188205946 /nfs/dbraw/zinc/20/59/46/188205946.db2.gz BAOKPQNSJBZWAM-GWCFXTLKSA-N -1 3 296.798 2.504 10 0 CFAEHM Cc1ccc([C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)o1 ZINC000155443057 188206312 /nfs/dbraw/zinc/20/63/12/188206312.db2.gz QBEWQCQNLHQPNP-SNVBAGLBSA-N -1 3 292.310 2.993 10 0 CFAEHM CC(C)c1noc([N-][C@@H](C)c2cn(-c3ccccc3)nn2)n1 ZINC000301676176 201131472 /nfs/dbraw/zinc/13/14/72/201131472.db2.gz SJDJNANQFAPZJN-NSHDSACASA-N -1 3 298.350 2.947 10 0 CFAEHM Cc1cc(NC[C@H]2CCCO2)c2cc(C(=O)[O-])ccc2n1 ZINC000004226433 371841932 /nfs/dbraw/zinc/84/19/32/371841932.db2.gz SBNBWYCKJFSZOO-GFCCVEGCSA-N -1 3 286.331 2.832 10 0 CFAEHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(N)c2)c1 ZINC000032146933 372432426 /nfs/dbraw/zinc/43/24/26/372432426.db2.gz HJWUIMCGKIHXPY-UHFFFAOYSA-N -1 3 290.388 2.995 10 0 CFAEHM Cc1ccc(SCc2cc(=O)[n-]c(NC3CC3)n2)cc1 ZINC000058823972 373671227 /nfs/dbraw/zinc/67/12/27/373671227.db2.gz NMWRXWWALODLNV-UHFFFAOYSA-N -1 3 287.388 2.945 10 0 CFAEHM CCC1CCC(NC(=O)c2c([O-])cccc2O)CC1 ZINC000092107607 375090178 /nfs/dbraw/zinc/09/01/78/375090178.db2.gz LFDXCHTYPDBHMS-UHFFFAOYSA-N -1 3 263.337 2.796 10 0 CFAEHM O=C([O-])[C@@H]1CCCN1Cc1cc(F)cc(Cl)c1 ZINC000161380942 378842408 /nfs/dbraw/zinc/84/24/08/378842408.db2.gz JJDJDMZGRAJMOY-NSHDSACASA-N -1 3 257.692 2.528 10 0 CFAEHM C[C@H](CNCc1cccc(Cl)c1F)CC(=O)[O-] ZINC000336730087 380618181 /nfs/dbraw/zinc/61/81/81/380618181.db2.gz XUINDRBCTJRUDG-QMMMGPOBSA-N -1 3 259.708 2.680 10 0 CFAEHM O=C(N[C@H]1CCCc2ccccc21)c1cccc2nn[n-]c21 ZINC000182666585 381133662 /nfs/dbraw/zinc/13/36/62/381133662.db2.gz ULWSGAXETLCTJW-AWEZNQCLSA-N -1 3 292.342 2.765 10 0 CFAEHM O=C(N[C@H]1CCCc2ccccc21)c1cccc2[n-]nnc21 ZINC000182666585 381133672 /nfs/dbraw/zinc/13/36/72/381133672.db2.gz ULWSGAXETLCTJW-AWEZNQCLSA-N -1 3 292.342 2.765 10 0 CFAEHM O=C(N[C@H]1CCCc2ccccc21)c1cccc2n[n-]nc21 ZINC000182666585 381133679 /nfs/dbraw/zinc/13/36/79/381133679.db2.gz ULWSGAXETLCTJW-AWEZNQCLSA-N -1 3 292.342 2.765 10 0 CFAEHM O=C1C=C([O-])CC(c2csc(Br)c2)C1 ZINC000306149307 382453447 /nfs/dbraw/zinc/45/34/47/382453447.db2.gz DRQYIIBCXCSXLF-UHFFFAOYSA-N -1 3 273.151 2.916 10 0 CFAEHM Cc1cccc(CN2CCC[C@@H](CC(=O)[O-])C2)c1F ZINC000384457017 382553925 /nfs/dbraw/zinc/55/39/25/382553925.db2.gz BQHGACSFFFAMAP-LBPRGKRZSA-N -1 3 265.328 2.821 10 0 CFAEHM CCc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000189908625 382644832 /nfs/dbraw/zinc/64/48/32/382644832.db2.gz ITNIKCUUIWIWNE-GDBMZVCRSA-N -1 3 289.375 2.738 10 0 CFAEHM Brc1csc(=NC[C@H]2CC23CC3)[n-]1 ZINC000575485097 382772965 /nfs/dbraw/zinc/77/29/65/382772965.db2.gz YYYJLLPEQZDSGS-ZCFIWIBFSA-N -1 3 259.172 2.540 10 0 CFAEHM COC(=O)c1cc([O-])cc(Br)c1C(F)(F)F ZINC000575713088 382794400 /nfs/dbraw/zinc/79/44/00/382794400.db2.gz USNBSAYZMSRSBP-UHFFFAOYSA-N -1 3 299.042 2.960 10 0 CFAEHM O=Cc1ccc(OC(F)F)c([O-])c1OC(F)(F)F ZINC000575661493 382781116 /nfs/dbraw/zinc/78/11/16/382781116.db2.gz HICSCUMXSXPPDK-UHFFFAOYSA-N -1 3 272.125 2.705 10 0 CFAEHM O=Cc1cc([O-])c(OC(F)(F)F)c(OC(F)F)c1 ZINC000575662095 382781575 /nfs/dbraw/zinc/78/15/75/382781575.db2.gz QHLAHRLLPBQTOO-UHFFFAOYSA-N -1 3 272.125 2.705 10 0 CFAEHM O=Cc1cc(Br)cc([O-])c1OC(F)F ZINC000575682033 382786502 /nfs/dbraw/zinc/78/65/02/382786502.db2.gz KFFXVHXXLLEYRS-UHFFFAOYSA-N -1 3 267.025 2.569 10 0 CFAEHM [O-]c1c(Br)ccc(C(F)(F)F)c1CO ZINC000575691870 382788927 /nfs/dbraw/zinc/78/89/27/382788927.db2.gz RADYOWNYESQPNP-UHFFFAOYSA-N -1 3 271.032 2.666 10 0 CFAEHM O=Cc1cc([O-])cc(C(F)(F)F)c1Br ZINC000575690780 382789053 /nfs/dbraw/zinc/78/90/53/382789053.db2.gz CDARMZZCQQPGLJ-UHFFFAOYSA-N -1 3 269.016 2.986 10 0 CFAEHM Nc1ccc(C(F)(F)F)c([O-])c1OC(F)(F)F ZINC000575728301 382797002 /nfs/dbraw/zinc/79/70/02/382797002.db2.gz MTLSNCKVNVOFEZ-UHFFFAOYSA-N -1 3 261.121 2.892 10 0 CFAEHM CCOC(=O)Cc1c([O-])cc(C)cc1Br ZINC000260158450 383503742 /nfs/dbraw/zinc/50/37/42/383503742.db2.gz QIPOPRGBJVNRSF-UHFFFAOYSA-N -1 3 273.126 2.569 10 0 CFAEHM CCN1CC=C(c2nc3cc(C(=O)[O-])ccc3o2)CC1 ZINC000226251371 285183752 /nfs/dbraw/zinc/18/37/52/285183752.db2.gz DVDYJCYCXLYIQK-UHFFFAOYSA-N -1 3 272.304 2.635 10 0 CFAEHM CC(C)n1ccnc1CN1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000248533350 393910429 /nfs/dbraw/zinc/91/04/29/393910429.db2.gz ILDVYGVXGMHBAV-IHRRRGAJSA-N -1 3 291.395 2.682 10 0 CFAEHM C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1cccs1 ZINC000189580722 543070042 /nfs/dbraw/zinc/07/00/42/543070042.db2.gz WYCAIBIQPPLOIW-MRVPVSSYSA-N -1 3 272.333 2.510 10 0 CFAEHM C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1cccs1 ZINC000189580722 543070045 /nfs/dbraw/zinc/07/00/45/543070045.db2.gz WYCAIBIQPPLOIW-MRVPVSSYSA-N -1 3 272.333 2.510 10 0 CFAEHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cccs1 ZINC000189580722 543070047 /nfs/dbraw/zinc/07/00/47/543070047.db2.gz WYCAIBIQPPLOIW-MRVPVSSYSA-N -1 3 272.333 2.510 10 0 CFAEHM CCC1CCC(NC(=O)c2cccc3nn[n-]c32)CC1 ZINC000189788820 543070677 /nfs/dbraw/zinc/07/06/77/543070677.db2.gz YFARKHBGIZHHRH-UHFFFAOYSA-N -1 3 272.352 2.657 10 0 CFAEHM CCC1CCC(NC(=O)c2cccc3[n-]nnc32)CC1 ZINC000189788820 543070682 /nfs/dbraw/zinc/07/06/82/543070682.db2.gz YFARKHBGIZHHRH-UHFFFAOYSA-N -1 3 272.352 2.657 10 0 CFAEHM CCC1CCC(NC(=O)c2cccc3n[n-]nc32)CC1 ZINC000189788820 543070685 /nfs/dbraw/zinc/07/06/85/543070685.db2.gz YFARKHBGIZHHRH-UHFFFAOYSA-N -1 3 272.352 2.657 10 0 CFAEHM [O-]c1cccc(CNCC[C@@H]2CCCO2)c1Cl ZINC000393401708 397545993 /nfs/dbraw/zinc/54/59/93/397545993.db2.gz XEGDDMOBNRNXQH-NSHDSACASA-N -1 3 255.745 2.704 10 0 CFAEHM Cc1cccc(NCc2c([O-])c(C)ncc2CO)c1 ZINC000006900475 170254028 /nfs/dbraw/zinc/25/40/28/170254028.db2.gz GRVWHSWXJKWGDR-UHFFFAOYSA-N -1 3 258.321 2.508 10 0 CFAEHM Cc1ccc([O-])c(C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000007217664 170272318 /nfs/dbraw/zinc/27/23/18/170272318.db2.gz LMHFPLHQSQICGW-AWEZNQCLSA-N -1 3 283.327 2.954 10 0 CFAEHM O=C([O-])c1ccc(-c2ccc(CNC3CC3)o2)cc1 ZINC000020875562 171277224 /nfs/dbraw/zinc/27/72/24/171277224.db2.gz ULZFBWWGCMVFEJ-UHFFFAOYSA-N -1 3 257.289 2.897 10 0 CFAEHM CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1[O-] ZINC000021126110 171298140 /nfs/dbraw/zinc/29/81/40/171298140.db2.gz UWPOMILYWUTGCV-UHFFFAOYSA-N -1 3 274.276 2.586 10 0 CFAEHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2[C@H](C)N)cc1 ZINC000022168645 171367367 /nfs/dbraw/zinc/36/73/67/171367367.db2.gz YMXHTSQGZNQPIN-LBPRGKRZSA-N -1 3 290.388 2.816 10 0 CFAEHM CCc1cccc([N-]S(=O)(=O)c2cccc(CN)c2)c1 ZINC000022176895 171370859 /nfs/dbraw/zinc/37/08/59/171370859.db2.gz AKOFWAYYPMWTQK-UHFFFAOYSA-N -1 3 290.388 2.509 10 0 CFAEHM CNc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000035150685 172013850 /nfs/dbraw/zinc/01/38/50/172013850.db2.gz UYGTVUMIEFNJAY-UHFFFAOYSA-N -1 3 276.361 2.838 10 0 CFAEHM CCCC[C@@H](C)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000037200949 173025400 /nfs/dbraw/zinc/02/54/00/173025400.db2.gz MKSAMFMSBPPJPU-SECBINFHSA-N -1 3 261.325 2.619 10 0 CFAEHM CC[C@H](C)N(CC)CC(=O)c1cc(F)ccc1[O-] ZINC000037336573 173137824 /nfs/dbraw/zinc/13/78/24/173137824.db2.gz SRAZWJSODSLPEK-JTQLQIEISA-N -1 3 253.317 2.834 10 0 CFAEHM N[C@H](CCC(=O)[O-])c1cc(Cl)sc1Cl ZINC000037379653 173167072 /nfs/dbraw/zinc/16/70/72/173167072.db2.gz ZPSXQTKRUNJIOD-RXMQYKEDSA-N -1 3 254.138 2.920 10 0 CFAEHM O=C([O-])c1ccc(Cl)c(NC(=O)CNC2CCCC2)c1 ZINC000040479428 174283557 /nfs/dbraw/zinc/28/35/57/174283557.db2.gz JRNPYVCKAOCHKR-UHFFFAOYSA-N -1 3 296.754 2.509 10 0 CFAEHM Cc1nc(-c2cccc(OC(C)C)c2)[n-]c(=O)c1C ZINC000040666460 174366585 /nfs/dbraw/zinc/36/65/85/174366585.db2.gz YHIFQTXIXDYQCK-UHFFFAOYSA-N -1 3 258.321 2.841 10 0 CFAEHM Nc1c([N-]c2nccs2)ncnc1NCc1ccccc1 ZINC000040709285 174380842 /nfs/dbraw/zinc/38/08/42/174380842.db2.gz HUFCPTRYGBSSBM-UHFFFAOYSA-N -1 3 298.375 2.871 10 0 CFAEHM Cc1ccc([C@@H](Sc2nc(C)cc(=O)[n-]2)[C@H](C)N)o1 ZINC000043367368 175027845 /nfs/dbraw/zinc/02/78/45/175027845.db2.gz JJUAMVPOUYCQJN-CABZTGNLSA-N -1 3 279.365 2.573 10 0 CFAEHM CC(C)c1cc(=O)[n-]c(-c2cc(F)c(F)c(F)c2)n1 ZINC000043391790 175034017 /nfs/dbraw/zinc/03/40/17/175034017.db2.gz UIHVESOIQFQLQI-UHFFFAOYSA-N -1 3 268.238 2.978 10 0 CFAEHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2F)cc1 ZINC000043473924 175054248 /nfs/dbraw/zinc/05/42/48/175054248.db2.gz VBACJWOBGCTKJE-UHFFFAOYSA-N -1 3 280.324 2.517 10 0 CFAEHM Cc1ccccc1Cc1nc2c(c(=O)[n-]1)CCCC2 ZINC000043560242 175066529 /nfs/dbraw/zinc/06/65/29/175066529.db2.gz MTHWOASHOJYBRD-UHFFFAOYSA-N -1 3 254.333 2.548 10 0 CFAEHM C[C@@H](N)c1ccc2ccccc2c1O[C@H](C)C(=O)[O-] ZINC000043625167 175081320 /nfs/dbraw/zinc/08/13/20/175081320.db2.gz NTYAGADEXTZPOW-NXEZZACHSA-N -1 3 259.305 2.711 10 0 CFAEHM O=C([O-])/C=C/c1csc(CN2CCCCC2)c1 ZINC000043699397 175097575 /nfs/dbraw/zinc/09/75/75/175097575.db2.gz GICBHFMMGQQIOJ-SNAWJCMRSA-N -1 3 251.351 2.832 10 0 CFAEHM O=C([O-])c1cnc2ccccc2c1NCC[C@@H]1CCCO1 ZINC000044510846 175187418 /nfs/dbraw/zinc/18/74/18/175187418.db2.gz UZERMIVGYFLSMW-NSHDSACASA-N -1 3 286.331 2.914 10 0 CFAEHM CC(C)c1ccc([C@@H](C)N[C@@H](C)c2nn[n-]n2)cc1 ZINC000044887751 175270992 /nfs/dbraw/zinc/27/09/92/175270992.db2.gz NFYMTURKUVSZKC-MNOVXSKESA-N -1 3 259.357 2.735 10 0 CFAEHM C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000044922975 175277530 /nfs/dbraw/zinc/27/75/30/175277530.db2.gz LJZNKJYEFGRNQA-YUMQZZPRSA-N -1 3 285.273 2.630 10 0 CFAEHM O=C([O-])c1nc(CN2CCC[C@@H]2C2CCCC2)cs1 ZINC000045083997 175303682 /nfs/dbraw/zinc/30/36/82/175303682.db2.gz XFEJSKASCWCPCO-GFCCVEGCSA-N -1 3 280.393 2.996 10 0 CFAEHM CCS(=O)(=O)[N-]c1c(C)c(Cl)c(C)cc1OC ZINC000074984081 176646330 /nfs/dbraw/zinc/64/63/30/176646330.db2.gz RVVAQKUDXTXWGC-UHFFFAOYSA-N -1 3 277.773 2.727 10 0 CFAEHM C[C@@H](CN1CCCCC1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000077319533 177251730 /nfs/dbraw/zinc/25/17/30/177251730.db2.gz DUFFTQXSWOMYLQ-LBPRGKRZSA-N -1 3 275.348 2.690 10 0 in-vitro CFAEHM COC[C@@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186259177 277243774 /nfs/dbraw/zinc/24/37/74/277243774.db2.gz DQZSJNKVGAPTPP-GHMZBOCLSA-N -1 3 263.337 2.515 10 0 CFAEHM COc1ccc([O-])c(C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000007218289 277917288 /nfs/dbraw/zinc/91/72/88/277917288.db2.gz RXWXKFWJODVDCI-CQSZACIVSA-N -1 3 299.326 2.654 10 0 CFAEHM CCCC[C@H](C)NC(=O)c1cc(OC)ccc1[O-] ZINC000050889828 521147563 /nfs/dbraw/zinc/14/75/63/521147563.db2.gz UXPLRGMJPJPYHD-JTQLQIEISA-N -1 3 251.326 2.709 10 0 CFAEHM CC(C)N(C)Cc1ccc(/C=C/C(=O)[O-])cc1F ZINC000049626074 519629771 /nfs/dbraw/zinc/62/97/71/519629771.db2.gz MKBRFROWRRHSCF-FNORWQNLSA-N -1 3 251.301 2.764 10 0 CFAEHM CCN(CC)CCc1nc(C(F)(F)F)c(C(=O)[O-])s1 ZINC000062493267 520711237 /nfs/dbraw/zinc/71/12/37/520711237.db2.gz WORMGJWGRSBELE-UHFFFAOYSA-N -1 3 296.314 2.744 10 0 CFAEHM Cc1[n-]n(-c2ccc(Cl)cc2N)c(=O)c1C(C)C ZINC000061687680 520895699 /nfs/dbraw/zinc/89/56/99/520895699.db2.gz ICHXEWGSLGLVMN-GFCCVEGCSA-N -1 3 265.744 2.917 10 0 CFAEHM CCC[C@](C)(NCc1cc(F)c(F)cc1F)C(=O)[O-] ZINC000233394670 521283943 /nfs/dbraw/zinc/28/39/43/521283943.db2.gz NCUZIISWFIGOGP-ZDUSSCGKSA-N -1 3 275.270 2.837 10 0 CFAEHM Cc1cc(N)c(NC(=O)c2cccc([O-])c2)cc1C ZINC000050439009 525032634 /nfs/dbraw/zinc/03/26/34/525032634.db2.gz NZDMJICWORUGIF-UHFFFAOYSA-N -1 3 256.305 2.844 10 0 CFAEHM Cc1ccccc1[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000192886741 534835797 /nfs/dbraw/zinc/83/57/97/534835797.db2.gz VEXHITPKRXWJGG-NSHDSACASA-N -1 3 271.316 2.897 10 0 CFAEHM C[C@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccc(O)cc1 ZINC000050508446 525593326 /nfs/dbraw/zinc/59/33/26/525593326.db2.gz IVEQGMJSLKIOFF-NHYWBVRUSA-N -1 3 271.316 2.869 10 0 CFAEHM Cc1ccc(-c2cnoc2[N-]C(=O)N2CCOCC2)cc1 ZINC000049735797 525778282 /nfs/dbraw/zinc/77/82/82/525778282.db2.gz RXXIDAPXWARXCI-UHFFFAOYSA-N -1 3 287.319 2.514 10 0 CFAEHM COc1cccc(C(=O)N(C)[C@H](C)CC(C)C)c1[O-] ZINC000055482315 525789260 /nfs/dbraw/zinc/78/92/60/525789260.db2.gz PKXOLUDDQNUCMK-LLVKDONJSA-N -1 3 265.353 2.907 10 0 CFAEHM O=C([O-])c1ccc(Cl)cc1N[C@@H]1CN2CCC1CC2 ZINC000062787320 526371323 /nfs/dbraw/zinc/37/13/23/526371323.db2.gz HABMZSDQRRCIFK-CYBMUJFWSA-N -1 3 280.755 2.544 10 0 CFAEHM Cc1nc(C)c([C@@H](C)n2ccc(=O)[n-]c2=S)s1 ZINC000052313221 526747775 /nfs/dbraw/zinc/74/77/75/526747775.db2.gz GTEAURLEDWFJJH-SSDOTTSWSA-N -1 3 267.379 2.589 10 0 CFAEHM Cc1c2c(c(Cl)cc1Br)[N-]C(=O)C2=O ZINC000757190607 617879516 /nfs/dbraw/zinc/87/95/16/617879516.db2.gz RFLPANZRCGWSTQ-UHFFFAOYSA-N -1 3 274.501 2.546 10 0 CFAEHM CCN1C[C@@H](c2ccccc2Br)[C@H](C(=O)[O-])C1 ZINC000757194167 617883877 /nfs/dbraw/zinc/88/38/77/617883877.db2.gz YTRBDPPCBPWVMO-WDEREUQCSA-N -1 3 298.180 2.569 10 0 CFAEHM Cc1ccc(-c2cc(=O)[n-]c(N3CCCCC3)n2)cc1 ZINC000005322587 136392702 /nfs/dbraw/zinc/39/27/02/136392702.db2.gz FFLRJRMNJNRGJN-UHFFFAOYSA-N -1 3 269.348 2.736 10 0 CFAEHM CC(=O)c1c(O)cc([O-])c(Cc2ccccc2)c1O ZINC000035075329 346320034 /nfs/dbraw/zinc/32/00/34/346320034.db2.gz OKSKPWTWASZLKH-UHFFFAOYSA-N -1 3 258.273 2.597 10 0 CFAEHM O=C(N/N=C/c1c([O-])cccc1Cl)c1ccc(F)cc1 ZINC000114391733 347772191 /nfs/dbraw/zinc/77/21/91/347772191.db2.gz RSLFHDQZSGUVMM-CAOOACKPSA-N -1 3 292.697 2.949 10 0 CFAEHM Cc1coc([N-]C(=O)c2ccc(Br)o2)n1 ZINC000135504848 347907190 /nfs/dbraw/zinc/90/71/90/347907190.db2.gz IJTAODVSSZLUQD-UHFFFAOYSA-N -1 3 271.070 2.591 10 0 CFAEHM CCOC(=O)C(Cl)=C([O-])CCCOCc1ccccc1 ZINC000139723247 347922256 /nfs/dbraw/zinc/92/22/56/347922256.db2.gz JKKQHWBKENNTLX-CQSZACIVSA-N -1 3 298.766 2.723 10 0 CFAEHM CCOC(=O)c1cc(Br)c(Cl)cc1[O-] ZINC000139905642 347922876 /nfs/dbraw/zinc/92/28/76/347922876.db2.gz MEKHVWWBRPSDLC-UHFFFAOYSA-N -1 3 279.517 2.985 10 0 CFAEHM CC[C@](C)(NCc1sccc1Br)C(=O)[O-] ZINC000086799653 179335869 /nfs/dbraw/zinc/33/58/69/179335869.db2.gz LGGNILZEGKOKDO-JTQLQIEISA-N -1 3 292.198 2.854 10 0 CFAEHM O=C1NC(=O)C(c2ccc(C3CCCCC3)cc2)=C1[O-] ZINC000225861472 348180526 /nfs/dbraw/zinc/18/05/26/348180526.db2.gz SRWZHAJCNJRZPI-UHFFFAOYSA-N -1 3 271.316 2.660 10 0 CFAEHM Cc1nc([C@@H]2C[C@@H]2C)[n-]c(=S)c1Br ZINC000235608166 348228580 /nfs/dbraw/zinc/22/85/80/348228580.db2.gz CCYLVWVODZXPNJ-UJURSFKZSA-N -1 3 259.172 2.960 10 0 CFAEHM FC(F)c1nc2nc(C(F)F)[n-]c(Cl)c-2n1 ZINC000584639924 348699536 /nfs/dbraw/zinc/69/95/36/348699536.db2.gz IPSLQZSPPPTXGT-UHFFFAOYSA-N -1 3 254.574 2.833 10 0 CFAEHM FC(F)c1nc2nc(C(F)F)nc(Cl)c2[n-]1 ZINC000584639924 348699541 /nfs/dbraw/zinc/69/95/41/348699541.db2.gz IPSLQZSPPPTXGT-UHFFFAOYSA-N -1 3 254.574 2.833 10 0 CFAEHM FC(F)c1nc2[n-]c(C(F)F)nc(Cl)c-2n1 ZINC000584639924 348699544 /nfs/dbraw/zinc/69/95/44/348699544.db2.gz IPSLQZSPPPTXGT-UHFFFAOYSA-N -1 3 254.574 2.833 10 0 CFAEHM CN(C)CCOC(=S)[N-]c1cccc(Cl)c1 ZINC000584651474 348702054 /nfs/dbraw/zinc/70/20/54/348702054.db2.gz WJAFIBOZLHSDOL-UHFFFAOYSA-N -1 3 258.774 2.615 10 0 CFAEHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109080921 186242520 /nfs/dbraw/zinc/24/25/20/186242520.db2.gz FXOYTLIZIKBKNV-ZJUUUORDSA-N -1 3 290.269 2.808 10 0 CFAEHM O=C([O-])c1ccccc1[C@H]1CNCCN1Cc1ccccc1 ZINC000616636303 352393523 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ZINC000616671531 352406798 /nfs/dbraw/zinc/40/67/98/352406798.db2.gz NTZURLSXZAAVQK-HNNXBMFYSA-N -1 3 291.358 2.546 10 0 CFAEHM CCc1ccc([O-])c(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000094017160 539915076 /nfs/dbraw/zinc/91/50/76/539915076.db2.gz ZVFZVWDAKZXQMS-GDBMZVCRSA-N -1 3 289.375 2.738 10 0 CFAEHM CCC[C@@H](NC(=O)c1cccc([O-])c1)C(=O)OC(C)(C)C ZINC000155543901 188212988 /nfs/dbraw/zinc/21/29/88/188212988.db2.gz PZTNZBUEWDNCOS-CYBMUJFWSA-N -1 3 293.363 2.632 10 0 CFAEHM Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc(C)ccc1[O-] ZINC000179730709 189216834 /nfs/dbraw/zinc/21/68/34/189216834.db2.gz RLZOLAOHAGZWFO-AWEZNQCLSA-N -1 3 299.374 2.510 10 0 CFAEHM C[C@]12CCN(C(=O)c3cc([O-])ccc3F)C[C@H]1C2(F)F ZINC000295381802 291443556 /nfs/dbraw/zinc/44/35/56/291443556.db2.gz QQHJDHDECBLGLT-YPMHNXCESA-N -1 3 285.265 2.649 10 0 CFAEHM O=C1c2cccc([O-])c2CC[C@@H]1Cc1ccncc1 ZINC000013824072 372051307 /nfs/dbraw/zinc/05/13/07/372051307.db2.gz DAOQXQRTKZYREH-GFCCVEGCSA-N -1 3 253.301 2.775 10 0 CFAEHM Nc1nc2c(c(=O)[n-]1)-c1cc(-c3ccccc3)ccc1CC2 ZINC000013832443 372051824 /nfs/dbraw/zinc/05/18/24/372051824.db2.gz KHVCGGCLFYWVAA-UHFFFAOYSA-N -1 3 289.338 2.785 10 0 CFAEHM CCC1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000014251880 372065908 /nfs/dbraw/zinc/06/59/08/372065908.db2.gz IMVDDMAMPAFWPD-UHFFFAOYSA-N -1 3 273.423 2.995 10 0 CFAEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2ccccc2F)o1 ZINC000032552268 372444175 /nfs/dbraw/zinc/44/41/75/372444175.db2.gz GLPWJZTYTPKUDE-JTQLQIEISA-N -1 3 283.324 2.767 10 0 CFAEHM COc1ccc(-c2cc(=O)[n-]c(NC3CCCC3)n2)cc1 ZINC000041603756 372852807 /nfs/dbraw/zinc/85/28/07/372852807.db2.gz HYWFRWMRQLLUTG-UHFFFAOYSA-N -1 3 285.347 2.800 10 0 CFAEHM O=C1C=CC(=Nc2ccc([O-])cc2Br)C=C1 ZINC000044075783 372997317 /nfs/dbraw/zinc/99/73/17/372997317.db2.gz IFZWMXRWONOCGP-UHFFFAOYSA-N -1 3 278.105 2.922 10 0 CFAEHM Cc1cc(=O)[n-]c(Nc2ccc(F)c(F)c2F)n1 ZINC000334162104 206123185 /nfs/dbraw/zinc/12/31/85/206123185.db2.gz JKZGTHACAJBEPP-UHFFFAOYSA-N -1 3 255.199 2.652 10 0 CFAEHM [O-]c1cccc(CN2CCN3CCCC[C@@H]3C2)c1Cl ZINC000295395927 380828109 /nfs/dbraw/zinc/82/81/09/380828109.db2.gz QFICGJFUCVLXDY-CYBMUJFWSA-N -1 3 280.799 2.716 10 0 CFAEHM CC(C)(C)[C@@H](O)CNCc1cccc([O-])c1Cl ZINC000293580592 382184344 /nfs/dbraw/zinc/18/43/44/382184344.db2.gz NSAGKLJBEHKTOR-NSHDSACASA-N -1 3 257.761 2.542 10 0 CFAEHM [O-]c1cncc(/C=C\c2nc(Cc3ccccc3)no2)c1 ZINC000362722226 382212996 /nfs/dbraw/zinc/21/29/96/382212996.db2.gz JHPTYXVBLURFIW-SREVYHEPSA-N -1 3 279.299 2.931 10 0 CFAEHM COC(=O)c1c([O-])ccc(C(F)(F)F)c1Br ZINC000575713152 382794209 /nfs/dbraw/zinc/79/42/09/382794209.db2.gz WWYZXCOVWBYUTE-UHFFFAOYSA-N -1 3 299.042 2.960 10 0 CFAEHM O=Cc1c([O-])cc(OC(F)(F)F)cc1OC(F)F ZINC000575661896 382781629 /nfs/dbraw/zinc/78/16/29/382781629.db2.gz ORALCCOCFICYTQ-UHFFFAOYSA-N -1 3 272.125 2.705 10 0 CFAEHM [O-]c1cc(OC(F)F)c(CO)cc1C(F)(F)F ZINC000575662377 382782071 /nfs/dbraw/zinc/78/20/71/382782071.db2.gz YJDNTVSZNMMIJE-UHFFFAOYSA-N -1 3 258.142 2.505 10 0 CFAEHM [O-]c1c(CO)cc(Br)cc1C(F)F ZINC000575688039 382788293 /nfs/dbraw/zinc/78/82/93/382788293.db2.gz ZCRRPXRSKQPKEA-UHFFFAOYSA-N -1 3 253.042 2.585 10 0 CFAEHM CCOC(=O)Cc1c(Br)cc([O-])cc1CC ZINC000575700852 382791349 /nfs/dbraw/zinc/79/13/49/382791349.db2.gz WFSITOVRYWAQGA-UHFFFAOYSA-N -1 3 287.153 2.823 10 0 CFAEHM COC(=O)c1cc(Br)cc([O-])c1OC(F)F ZINC000575709989 382792866 /nfs/dbraw/zinc/79/28/66/382792866.db2.gz FEPUAWCGYSJUTL-UHFFFAOYSA-N -1 3 297.051 2.543 10 0 CFAEHM Nc1cc(OC(F)(F)F)cc([O-])c1C(F)(F)F ZINC000575727148 382796974 /nfs/dbraw/zinc/79/69/74/382796974.db2.gz BGXJILVBQKBQBL-UHFFFAOYSA-N -1 3 261.121 2.892 10 0 CFAEHM CCCn1cc(-c2oc3ccccc3c(=O)c2[O-])cn1 ZINC000227173343 382834876 /nfs/dbraw/zinc/83/48/76/382834876.db2.gz CNOPNDBBUBONET-UHFFFAOYSA-N -1 3 270.288 2.772 10 0 CFAEHM CCOC(=O)Cc1cc(Br)c([O-])cc1C ZINC000260277824 383504560 /nfs/dbraw/zinc/50/45/60/383504560.db2.gz AJMOHZVASVDJNK-UHFFFAOYSA-N -1 3 273.126 2.569 10 0 CFAEHM COc1cc(Cl)c(CN(C)[C@H](C)C(=O)[O-])cc1Cl 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299.355 2.739 10 0 CFAEHM CCOC[C@H](C)Nc1c(C(=O)[O-])cnc2ccccc21 ZINC000044728070 175239106 /nfs/dbraw/zinc/23/91/06/175239106.db2.gz MFRMILQMTCBYQV-JTQLQIEISA-N -1 3 274.320 2.770 10 0 CFAEHM CC[C@@H](NCc1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000044928807 175279136 /nfs/dbraw/zinc/27/91/36/175279136.db2.gz DZAZABNPSBBFCS-SNVBAGLBSA-N -1 3 286.166 2.747 10 0 CFAEHM C[C@@H]1CCc2cc(F)ccc2N1c1nc2c(c(=O)[n-]1)CCC2 ZINC000057343011 287820087 /nfs/dbraw/zinc/82/00/87/287820087.db2.gz ALDNGCBAOGIGIL-SNVBAGLBSA-N -1 3 299.349 2.871 10 0 CFAEHM COC(=O)c1n[n-]c2cc(Cl)cc(Br)c21 ZINC000299889679 277451872 /nfs/dbraw/zinc/45/18/72/277451872.db2.gz MXRNLKZPDATENU-UHFFFAOYSA-N -1 3 289.516 2.765 10 0 CFAEHM CC(C)c1ccc(-n2cc3cn[n-]c(=O)c3n2)cc1 ZINC000020272353 278021015 /nfs/dbraw/zinc/02/10/15/278021015.db2.gz IXNDFXZDRFFONL-UHFFFAOYSA-N -1 3 254.293 2.645 10 0 CFAEHM O=c1[nH]c2c([O-])cccc2c2cn(-c3ccccc3)nc21 ZINC000072175811 280386675 /nfs/dbraw/zinc/38/66/75/280386675.db2.gz DABYSFLEHYVSKN-UHFFFAOYSA-N -1 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ZINC000232304940 348211329 /nfs/dbraw/zinc/21/13/29/348211329.db2.gz NGPHRBLVLRAVHH-UHFFFAOYSA-N -1 3 260.268 2.853 10 0 CFAEHM S=c1[n-]c(-c2ccoc2)ncc1Br ZINC000236577201 348234642 /nfs/dbraw/zinc/23/46/42/348234642.db2.gz VAIPVEPWCZLZDX-UHFFFAOYSA-N -1 3 257.112 2.788 10 0 CFAEHM C[C@H]1CC[C@@H](c2[n-]nnc2C(=O)OC(C)(C)C)C1 ZINC000725266406 539622932 /nfs/dbraw/zinc/62/29/32/539622932.db2.gz VBEOUCVAUGSNAR-DTWKUNHWSA-N -1 3 251.330 2.664 10 0 CFAEHM C[C@H]1CC[C@@H](c2nn[n-]c2C(=O)OC(C)(C)C)C1 ZINC000725266406 539622934 /nfs/dbraw/zinc/62/29/34/539622934.db2.gz VBEOUCVAUGSNAR-DTWKUNHWSA-N -1 3 251.330 2.664 10 0 CFAEHM C[C@H]1CC[C@@H](c2n[n-]nc2C(=O)OC(C)(C)C)C1 ZINC000725266406 539622938 /nfs/dbraw/zinc/62/29/38/539622938.db2.gz VBEOUCVAUGSNAR-DTWKUNHWSA-N -1 3 251.330 2.664 10 0 CFAEHM [O-]c1ccc(Br)c([C@H](NO)C(F)(F)F)c1 ZINC000308759314 348405613 /nfs/dbraw/zinc/40/56/13/348405613.db2.gz HFWGJLQSAJNJDE-ZETCQYMHSA-N -1 3 286.047 2.737 10 0 CFAEHM O=c1[n-]c2c(o1)c(Cl)cc(Br)c2F ZINC000306736308 348391863 /nfs/dbraw/zinc/39/18/63/348391863.db2.gz XIOVKGFVECUCQM-UHFFFAOYSA-N -1 3 266.453 2.676 10 0 CFAEHM COC(=O)c1nn[n-]c1-c1ccc(Cl)c(Cl)c1 ZINC000584607017 348687753 /nfs/dbraw/zinc/68/77/53/348687753.db2.gz QRKOVLAXNBIJJN-UHFFFAOYSA-N -1 3 272.091 2.565 10 0 CFAEHM COC(=O)c1[n-]nnc1-c1ccc(Cl)c(Cl)c1 ZINC000584607017 348687757 /nfs/dbraw/zinc/68/77/57/348687757.db2.gz QRKOVLAXNBIJJN-UHFFFAOYSA-N -1 3 272.091 2.565 10 0 CFAEHM COC(=O)c1n[n-]nc1-c1ccc(Cl)c(Cl)c1 ZINC000584607017 348687762 /nfs/dbraw/zinc/68/77/62/348687762.db2.gz QRKOVLAXNBIJJN-UHFFFAOYSA-N -1 3 272.091 2.565 10 0 CFAEHM Cc1cnn([C@H]2CCCN(C(=O)c3cccc(C)c3[O-])C2)c1 ZINC000105885830 186082955 /nfs/dbraw/zinc/08/29/55/186082955.db2.gz HZHAJRRXHVJMHD-AWEZNQCLSA-N -1 3 299.374 2.683 10 0 CFAEHM Fc1cc(Br)c2n[n-]nc2c1Br ZINC000616567890 352371680 /nfs/dbraw/zinc/37/16/80/352371680.db2.gz SSYJNFZYICIUIW-UHFFFAOYSA-N -1 3 294.909 2.622 10 0 CFAEHM COc1cccc(-c2nc([C@@H](OC)C3CC3)no2)c1[O-] ZINC000157416488 188316178 /nfs/dbraw/zinc/31/61/78/188316178.db2.gz YVLKSYVECJTMAU-LBPRGKRZSA-N -1 3 276.292 2.548 10 0 CFAEHM Cc1cccc2c(=O)[nH]c(-c3ccc([O-])cc3)nc12 ZINC000013782478 372050162 /nfs/dbraw/zinc/05/01/62/372050162.db2.gz NIPIEXNSQBQPML-UHFFFAOYSA-N -1 3 252.273 2.604 10 0 in-vivo CFAEHM O=C1c2cc([O-])ccc2CC[C@H]1Cc1ccncc1 ZINC000013824080 372051272 /nfs/dbraw/zinc/05/12/72/372051272.db2.gz XWSFHWMUYSQTSF-ZDUSSCGKSA-N -1 3 253.301 2.775 10 0 CFAEHM CC(=O)c1ccc(NC(=O)c2ccc([O-])cc2)cc1 ZINC000019516174 372171475 /nfs/dbraw/zinc/17/14/75/372171475.db2.gz CACYTYIVBGVXTE-UHFFFAOYSA-N -1 3 255.273 2.847 10 0 CFAEHM CCCc1[nH]nc2c1nc(-c1ccccc1OCC)[n-]c2=O ZINC000029488267 372381221 /nfs/dbraw/zinc/38/12/21/372381221.db2.gz LSJMCZVDVVSHJA-UHFFFAOYSA-N -1 3 298.346 2.664 10 0 CFAEHM O=C(/C=C\c1ccccc1)NC(=S)Nc1ccccc1[O-] ZINC000033301940 372489793 /nfs/dbraw/zinc/48/97/93/372489793.db2.gz ZWVPZPGEROHVRY-KHPPLWFESA-N -1 3 298.367 2.919 10 0 CFAEHM Cc1ccc(S(=O)(=O)[N-]c2cc(N)ccc2C)c(C)c1 ZINC000034955778 372520342 /nfs/dbraw/zinc/52/03/42/372520342.db2.gz SHKRAURAPOQBNW-UHFFFAOYSA-N -1 3 290.388 2.995 10 0 CFAEHM CCOC(=O)[C@@]([O-])(c1ccc(Cl)cc1)C(F)(F)F ZINC000043465313 372991821 /nfs/dbraw/zinc/99/18/21/372991821.db2.gz OGEAYQREQMSDCA-JTQLQIEISA-N -1 3 282.645 2.653 10 0 CFAEHM CC(=O)[N-]C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000085346737 374802441 /nfs/dbraw/zinc/80/24/41/374802441.db2.gz UTCBCCDTCFVICJ-UHFFFAOYSA-N -1 3 263.680 2.876 10 0 CFAEHM COc1ccc(C(=O)N2CCC[C@H]2c2ccco2)c([O-])c1 ZINC000116046777 376158310 /nfs/dbraw/zinc/15/83/10/376158310.db2.gz HPCKVLNDFBDEAS-ZDUSSCGKSA-N -1 3 287.315 2.971 10 0 CFAEHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000121588013 376863541 /nfs/dbraw/zinc/86/35/41/376863541.db2.gz YDDIYNLRXYPBES-SJKOYZFVSA-N -1 3 283.375 2.938 10 0 CFAEHM COc1ccc(C)c2c(=O)c(Br)c[n-]c12 ZINC000156970071 378648099 /nfs/dbraw/zinc/64/80/99/378648099.db2.gz QXYAYENSUUEKET-UHFFFAOYSA-N -1 3 268.110 2.608 10 0 CFAEHM C[C@@H]1C[C@@H]1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186525834 381937966 /nfs/dbraw/zinc/93/79/66/381937966.db2.gz ZQPPEYLYUUHKGP-BZNIZROVSA-N -1 3 295.338 2.761 10 0 CFAEHM [O-]c1cccc(CN[C@@H]2CCCC[C@H]2CO)c1Cl ZINC000293597916 382188573 /nfs/dbraw/zinc/18/85/73/382188573.db2.gz ORQGPTHVIJCZDF-NWDGAFQWSA-N -1 3 269.772 2.686 10 0 CFAEHM C[C@@H](NCc1cccc([O-])c1Cl)[C@@H]1CCCO1 ZINC000294133580 382428693 /nfs/dbraw/zinc/42/86/93/382428693.db2.gz NYPRLGMNAFDVDS-SKDRFNHKSA-N -1 3 255.745 2.703 10 0 CFAEHM C[C@H]1C[C@H](C)CN(C(=O)c2cc([O-])ccc2F)C1 ZINC000294196605 382455156 /nfs/dbraw/zinc/45/51/56/382455156.db2.gz GYCVJTUXWASPGV-UWVGGRQHSA-N -1 3 251.301 2.649 10 0 CFAEHM Cc1oc(Br)cc1-c1n[n-]c(=S)o1 ZINC000307339725 382466315 /nfs/dbraw/zinc/46/63/15/382466315.db2.gz IKNDKDPXMTVLDB-UHFFFAOYSA-N -1 3 261.100 2.689 10 0 CFAEHM CCc1ccc(C(=O)N2CCS[C@@H](C)C2)c([O-])c1 ZINC000191099898 382691235 /nfs/dbraw/zinc/69/12/35/382691235.db2.gz UZZBSFYEICXMIR-JTQLQIEISA-N -1 3 265.378 2.532 10 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[O-]c1cc(O)c(Br)cc1C(F)(F)F ZINC000575687592 382788132 /nfs/dbraw/zinc/78/81/32/382788132.db2.gz VJCHFPGEURVQDS-UHFFFAOYSA-N -1 3 257.005 2.879 10 0 CFAEHM [O-]c1cc(O)c(C(F)(F)F)cc1Br ZINC000575687592 382788133 /nfs/dbraw/zinc/78/81/33/382788133.db2.gz VJCHFPGEURVQDS-UHFFFAOYSA-N -1 3 257.005 2.879 10 0 CFAEHM [O-]c1cc(Br)cc(CO)c1OC(F)(F)F ZINC000575689724 382788634 /nfs/dbraw/zinc/78/86/34/382788634.db2.gz BVJFFFWXJQTINI-UHFFFAOYSA-N -1 3 287.031 2.546 10 0 CFAEHM COC(=O)c1cc(Cl)cc(C(F)(F)F)c1[O-] ZINC000260485260 383505218 /nfs/dbraw/zinc/50/52/18/383505218.db2.gz UTVBPKBBIRJJKI-UHFFFAOYSA-N -1 3 254.591 2.851 10 0 CFAEHM O=C([O-])[C@H]1CCC[C@H](NCc2cccc(F)c2F)C1 ZINC000070570061 412977948 /nfs/dbraw/zinc/97/79/48/412977948.db2.gz LYVJZCBEVMNTHL-ONGXEEELSA-N -1 3 269.291 2.698 10 0 CFAEHM Cc1cccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1[O-] ZINC000127376633 394049211 /nfs/dbraw/zinc/04/92/11/394049211.db2.gz MCKGCDYOUKQXBS-CQSZACIVSA-N -1 3 285.347 2.791 10 0 CFAEHM Cc1ccc([C@@H](C)NC(=O)c2cccc3nn[n-]c32)cc1F ZINC000188359048 543061894 /nfs/dbraw/zinc/06/18/94/543061894.db2.gz SXXSOTQVHQPPHF-SNVBAGLBSA-N -1 3 298.321 2.896 10 0 CFAEHM Cc1ccc([C@@H](C)NC(=O)c2cccc3[n-]nnc32)cc1F ZINC000188359048 543061896 /nfs/dbraw/zinc/06/18/96/543061896.db2.gz SXXSOTQVHQPPHF-SNVBAGLBSA-N -1 3 298.321 2.896 10 0 CFAEHM Cc1ccc([C@@H](C)NC(=O)c2cccc3n[n-]nc32)cc1F ZINC000188359048 543061898 /nfs/dbraw/zinc/06/18/98/543061898.db2.gz SXXSOTQVHQPPHF-SNVBAGLBSA-N -1 3 298.321 2.896 10 0 CFAEHM O=C([O-])c1cccnc1CN1CCC(C2CCC2)CC1 ZINC000656758963 413187657 /nfs/dbraw/zinc/18/76/57/413187657.db2.gz RDGVAPIACUGSQZ-UHFFFAOYSA-N -1 3 274.364 2.792 10 0 CFAEHM O=C([O-])c1cnoc1CN1CC[C@H](C2CCCCC2)C1 ZINC000656760298 413190047 /nfs/dbraw/zinc/19/00/47/413190047.db2.gz BQGSCZLNCFFHOI-LBPRGKRZSA-N -1 3 278.352 2.775 10 0 CFAEHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000007212532 170272077 /nfs/dbraw/zinc/27/20/77/170272077.db2.gz IPFCCKKZWNZBBL-MRVPVSSYSA-N -1 3 279.764 2.802 10 0 CFAEHM Cc1cccnc1C[S@](=O)c1nc2cscc2[n-]1 ZINC000013448562 170550947 /nfs/dbraw/zinc/55/09/47/170550947.db2.gz KPJAGCXNZIJJSY-GOSISDBHSA-N -1 3 277.374 2.636 10 0 CFAEHM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(N)c2)c(C)c1 ZINC000019277640 170770257 /nfs/dbraw/zinc/77/02/57/170770257.db2.gz PNKGYEPTDFQTSJ-UHFFFAOYSA-N -1 3 290.388 2.995 10 0 CFAEHM C[C@H]1CN(Cc2ccc([O-])c3ncccc23)C[C@H](C)O1 ZINC000021952312 171340225 /nfs/dbraw/zinc/34/02/25/171340225.db2.gz AEMKJOIERSFXSY-RYUDHWBXSA-N -1 3 272.348 2.550 10 0 CFAEHM C[C@@H](O)c1cc(Br)cc(Br)c1[O-] ZINC000022154718 171361892 /nfs/dbraw/zinc/36/18/92/171361892.db2.gz HFQGWZWVNAGOCI-SCSAIBSYSA-N -1 3 295.958 2.971 10 0 CFAEHM C[C@H](O)c1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000035646067 172322693 /nfs/dbraw/zinc/32/26/93/172322693.db2.gz YNNSFYGCEDYTAZ-JTQLQIEISA-N -1 3 257.289 2.698 10 0 CFAEHM CCN(CC)[C@](C)(C(=O)[O-])c1ccccc1Cl ZINC000037360775 173149837 /nfs/dbraw/zinc/14/98/37/173149837.db2.gz QJICCEPNMGRMDQ-ZDUSSCGKSA-N -1 3 255.745 2.982 10 0 CFAEHM C[C@@](C(=O)[O-])(c1ccc(F)cc1F)N1CCCCC1 ZINC000037361690 173150786 /nfs/dbraw/zinc/15/07/86/173150786.db2.gz IWHVUEIJZYCNCU-AWEZNQCLSA-N -1 3 269.291 2.751 10 0 CFAEHM C[C@@H](NCCCC(=O)[O-])c1ccccc1Br ZINC000037418313 173195685 /nfs/dbraw/zinc/19/56/85/173195685.db2.gz JFNAPJYMZCVCRT-SECBINFHSA-N -1 3 286.169 2.965 10 0 CFAEHM Cc1nc(C)c([C@@H](C)N[C@H](C)c2cccc(F)c2)c(=O)[n-]1 ZINC000037642865 173586644 /nfs/dbraw/zinc/58/66/44/173586644.db2.gz BXNBTZKQDCNKBA-NXEZZACHSA-N -1 3 289.354 2.938 10 0 CFAEHM CC[C@@H](C)N[C@@](C)(C(=O)[O-])c1cc(F)ccc1F ZINC000038065916 174076964 /nfs/dbraw/zinc/07/69/64/174076964.db2.gz MQXQJICRQKQWLX-AMIZOPFISA-N -1 3 257.280 2.653 10 0 CFAEHM CC[C@H](C)N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000038066405 174077411 /nfs/dbraw/zinc/07/74/11/174077411.db2.gz SWUURZRWOGKPSQ-WRWORJQWSA-N -1 3 259.708 2.993 10 0 CFAEHM O=C([O-])[C@@H](c1ccc(F)cc1F)N1CCCCCC1 ZINC000038086476 174097856 /nfs/dbraw/zinc/09/78/56/174097856.db2.gz SZDQZVIZGIJIPL-CYBMUJFWSA-N -1 3 269.291 2.967 10 0 CFAEHM Cc1nc([N-]c2ncnc(Cl)c2N)sc1C ZINC000040571947 174338697 /nfs/dbraw/zinc/33/86/97/174338697.db2.gz MSGRTJXHPAZXOQ-UHFFFAOYSA-N -1 3 255.734 2.529 10 0 CFAEHM CC(C)[C@H](N[C@H](C)c1cc(F)ccc1F)C(=O)[O-] ZINC000043429986 175042538 /nfs/dbraw/zinc/04/25/38/175042538.db2.gz DTIHLFKMUALPDX-PELKAZGASA-N -1 3 257.280 2.725 10 0 CFAEHM CC(C)[C@@H](N[C@@H](C)c1cc(F)ccc1F)C(=O)[O-] ZINC000043429985 175042572 /nfs/dbraw/zinc/04/25/72/175042572.db2.gz DTIHLFKMUALPDX-QPUJVOFHSA-N -1 3 257.280 2.725 10 0 CFAEHM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc([O-])cc1 ZINC000044674606 175227028 /nfs/dbraw/zinc/22/70/28/175227028.db2.gz UBCOSHBAZUBHGJ-CABCVRRESA-N -1 3 253.301 2.678 10 0 CFAEHM O=c1c2ccsc2[n-]c(=S)n1[C@H]1CCN(C2CC2)C1 ZINC000044727061 175238883 /nfs/dbraw/zinc/23/88/83/175238883.db2.gz ZUWSVPAWKVCPTP-VIFPVBQESA-N -1 3 293.417 2.530 10 0 CFAEHM CC(C)c1ccc([C@@H](C)N[C@H](C)c2nn[n-]n2)cc1 ZINC000044887755 175271163 /nfs/dbraw/zinc/27/11/63/175271163.db2.gz 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/nfs/dbraw/zinc/92/81/50/175928150.db2.gz RWANJKLQWVXWHI-UHFFFAOYSA-N -1 3 266.304 2.504 10 0 CFAEHM N[C@H](c1ccc([O-])c(Br)c1)C(F)(F)F ZINC000072190862 176336357 /nfs/dbraw/zinc/33/63/57/176336357.db2.gz WMEQOAHOFXHHRD-SSDOTTSWSA-N -1 3 270.048 2.717 10 0 CFAEHM O=C(N[C@H]1CCOc2ccccc21)c1ccccc1[O-] ZINC000007214588 279978679 /nfs/dbraw/zinc/97/86/79/279978679.db2.gz VFIDETOZQIEBAL-ZDUSSCGKSA-N -1 3 269.300 2.646 10 0 CFAEHM CCc1cc(=O)[n-]c(-c2ccc(Br)cc2)n1 ZINC000036755135 326916473 /nfs/dbraw/zinc/91/64/73/326916473.db2.gz BOGTWCANWLLBAW-UHFFFAOYSA-N -1 3 279.137 2.762 10 0 CFAEHM CCCC[C@@H](C)NC(=O)c1ccc(OC)cc1[O-] ZINC000050889811 521005901 /nfs/dbraw/zinc/00/59/01/521005901.db2.gz KWKDOAFQIWZCHK-SNVBAGLBSA-N -1 3 251.326 2.709 10 0 CFAEHM CC(C)c1cc(=O)[n-]c(C2(c3ccccc3)CC2)n1 ZINC000062780389 519831102 /nfs/dbraw/zinc/83/11/02/519831102.db2.gz HHMAQQWAGXUUER-UHFFFAOYSA-N -1 3 254.333 2.973 10 0 CFAEHM CCCC[C@@H](CC)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000069370546 521039487 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179341853 /nfs/dbraw/zinc/34/18/53/179341853.db2.gz MCLXNTQFRPGJCM-UHFFFAOYSA-N -1 3 285.343 2.755 10 0 CFAEHM O=C([O-])[C@@H]1CCCCCN1Cc1c(F)cccc1F ZINC000086815015 179343389 /nfs/dbraw/zinc/34/33/89/179343389.db2.gz XINRJCGLZZRDHU-ZDUSSCGKSA-N -1 3 269.291 2.794 10 0 CFAEHM O=C(NN=Cc1ccc(O)cc1[O-])c1ccccc1Cl ZINC000254289613 348301827 /nfs/dbraw/zinc/30/18/27/348301827.db2.gz AOHNMRQIIKVRPN-UHFFFAOYSA-N -1 3 290.706 2.515 10 0 CFAEHM CC(C)(C)OC(=O)c1nn[n-]c1[C@H]1CCCC12CC2 ZINC000725266399 539623575 /nfs/dbraw/zinc/62/35/75/539623575.db2.gz UIIASYCOYYKVTG-SECBINFHSA-N -1 3 263.341 2.808 10 0 CFAEHM CC(C)(C)OC(=O)c1[n-]nnc1[C@H]1CCCC12CC2 ZINC000725266399 539623579 /nfs/dbraw/zinc/62/35/79/539623579.db2.gz UIIASYCOYYKVTG-SECBINFHSA-N -1 3 263.341 2.808 10 0 CFAEHM CC(C)(C)OC(=O)c1n[n-]nc1[C@H]1CCCC12CC2 ZINC000725266399 539623583 /nfs/dbraw/zinc/62/35/83/539623583.db2.gz UIIASYCOYYKVTG-SECBINFHSA-N -1 3 263.341 2.808 10 0 CFAEHM COc1ccc2c(c1)CCN(c1ccc([O-])cc1F)C2=O ZINC000584612994 348690093 /nfs/dbraw/zinc/69/00/93/348690093.db2.gz GOERRGXMSMKDBZ-UHFFFAOYSA-N -1 3 287.290 2.743 10 0 CFAEHM Cc1cnn([C@H]2CCCN(C(=O)c3cc(C)ccc3[O-])C2)c1 ZINC000105885797 186082965 /nfs/dbraw/zinc/08/29/65/186082965.db2.gz KJYBVRASPKXABU-AWEZNQCLSA-N -1 3 299.374 2.683 10 0 CFAEHM CN(C)[C@H](Cc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000106455552 186119239 /nfs/dbraw/zinc/11/92/39/186119239.db2.gz CLYBUEBFZCFXBY-OAHLLOKOSA-N -1 3 284.359 2.504 10 0 CFAEHM CC(C)(C)N1CCCO[C@H](c2ccccc2C(=O)[O-])C1 ZINC000616650038 352398223 /nfs/dbraw/zinc/39/82/23/352398223.db2.gz QRVVJQWXRMADGG-AWEZNQCLSA-N -1 3 277.364 2.947 10 0 CFAEHM c1ccc(CN2CC[C@H](c3nnn[n-]3)c3ccccc32)cc1 ZINC000616675568 352408543 /nfs/dbraw/zinc/40/85/43/352408543.db2.gz RWJCLUPDNCCMHM-HNNXBMFYSA-N -1 3 291.358 2.742 10 0 CFAEHM c1ccc(CN2CC[C@H](c3nn[n-]n3)c3ccccc32)cc1 ZINC000616675568 352408546 /nfs/dbraw/zinc/40/85/46/352408546.db2.gz RWJCLUPDNCCMHM-HNNXBMFYSA-N -1 3 291.358 2.742 10 0 CFAEHM C[C@H]1CCN(C(=O)c2cc([O-])ccc2F)C[C@H]1C ZINC000297111831 200087956 /nfs/dbraw/zinc/08/79/56/200087956.db2.gz LULJEFZHKHVVCD-VHSXEESVSA-N -1 3 251.301 2.649 10 0 CFAEHM C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000157756871 540960819 /nfs/dbraw/zinc/96/08/19/540960819.db2.gz CACICPPEQNMIRU-LLVKDONJSA-N -1 3 299.330 2.541 10 0 CFAEHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@@H]3C)nc2)n1 ZINC000301206818 200939290 /nfs/dbraw/zinc/93/92/90/200939290.db2.gz QQJHMFNPNVUPPW-JOYOIKCWSA-N -1 3 270.336 2.627 10 0 CFAEHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000023994031 372268428 /nfs/dbraw/zinc/26/84/28/372268428.db2.gz VETYALGPGGLZOE-SSDOTTSWSA-N -1 3 267.803 2.724 10 0 CFAEHM CCOc1ccc(Sc2cc(C)nc(=S)[n-]2)nn1 ZINC000027532583 372343184 /nfs/dbraw/zinc/34/31/84/372343184.db2.gz JVTNKFRBDMAVKF-UHFFFAOYSA-N -1 3 280.378 2.788 10 0 CFAEHM COc1ccc(/C=C\C(=O)[O-])cc1CN1CCCCC1 ZINC000034847428 372516127 /nfs/dbraw/zinc/51/61/27/372516127.db2.gz PQDWBZGKOXNMSZ-VURMDHGXSA-N -1 3 275.348 2.779 10 0 CFAEHM O=C([O-])C[C@H]1CCCN1Cc1ncc(-c2ccccc2)o1 ZINC000042162748 372879512 /nfs/dbraw/zinc/87/95/12/372879512.db2.gz NTFNJGYRWMNWLL-CYBMUJFWSA-N -1 3 286.331 2.781 10 0 CFAEHM CCOC(=O)[C@@]([O-])(c1cccc(Cl)c1)C(F)(F)F ZINC000043465315 372991690 /nfs/dbraw/zinc/99/16/90/372991690.db2.gz AZGHEVSBRNAGQS-JTQLQIEISA-N -1 3 282.645 2.653 10 0 CFAEHM CC(C)(C)OC(=O)N1CCc2cc([O-])c(F)cc21 ZINC000089209498 374889537 /nfs/dbraw/zinc/88/95/37/374889537.db2.gz KNQMHKBAKXEBIJ-UHFFFAOYSA-N -1 3 253.273 2.829 10 0 CFAEHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccco2)n1 ZINC000121133795 376766541 /nfs/dbraw/zinc/76/65/41/376766541.db2.gz GNEPDQGXTOPKBX-LBPRGKRZSA-N -1 3 273.336 2.675 10 0 CFAEHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2cccc(C)n2)n1 ZINC000140265782 378236797 /nfs/dbraw/zinc/23/67/97/378236797.db2.gz HVMNCOJNJPRPIH-HNNXBMFYSA-N -1 3 298.390 2.785 10 0 CFAEHM [O-]c1cccc(CNC[C@H]2CCCC[C@H]2O)c1Cl ZINC000293722600 382250861 /nfs/dbraw/zinc/25/08/61/382250861.db2.gz YQDSTPTXDBZHGK-ZYHUDNBSSA-N -1 3 269.772 2.686 10 0 CFAEHM CC[C@H]1CCCCCN1Cc1oncc1C(=O)[O-] ZINC000380811950 382516395 /nfs/dbraw/zinc/51/63/95/382516395.db2.gz SUVNYDUTPMFSMH-JTQLQIEISA-N -1 3 252.314 2.527 10 0 CFAEHM CCc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c([O-])c1 ZINC000191067070 382689979 /nfs/dbraw/zinc/68/99/79/382689979.db2.gz CCVDWMWOVIABCR-HNNXBMFYSA-N -1 3 299.374 2.665 10 0 CFAEHM S=c1[n-]c([C@H]2CC23CC3)ncc1Br ZINC000575540826 382773331 /nfs/dbraw/zinc/77/33/31/382773331.db2.gz ZWTYTIHJEVHDKN-RXMQYKEDSA-N -1 3 257.156 2.795 10 0 CFAEHM CCOc1ccc(OCC)c(Br)c1[O-] ZINC000575680308 382785801 /nfs/dbraw/zinc/78/58/01/382785801.db2.gz DJJXYXPCVSXYMN-UHFFFAOYSA-N -1 3 261.115 2.952 10 0 CFAEHM CCOc1ccc(Br)c([O-])c1OCC ZINC000575680703 382785888 /nfs/dbraw/zinc/78/58/88/382785888.db2.gz IISIXYYRPYVDLG-UHFFFAOYSA-N -1 3 261.115 2.952 10 0 CFAEHM [O-]c1cc(Br)c(CO)cc1OC(F)(F)F ZINC000575691050 382788971 /nfs/dbraw/zinc/78/89/71/382788971.db2.gz GMQZQACCJDOCAL-UHFFFAOYSA-N -1 3 287.031 2.546 10 0 CFAEHM CCOc1cc(CC)cc([O-])c1I 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ZINC000043049485 174957749 /nfs/dbraw/zinc/95/77/49/174957749.db2.gz IFIIPRLWTUZEDW-RNCFNFMXSA-N -1 3 293.367 2.810 10 0 CFAEHM COc1ccc([O-])c(C(=O)Nc2c(C)cccc2N)c1 ZINC000043327724 175009561 /nfs/dbraw/zinc/00/95/61/175009561.db2.gz MZUWLFFZOZIYFU-UHFFFAOYSA-N -1 3 272.304 2.544 10 0 CFAEHM CC(C)[C@@H](N[C@H](c1ccccc1)c1ccccn1)C(=O)[O-] ZINC000043429649 175042530 /nfs/dbraw/zinc/04/25/30/175042530.db2.gz XLCBOXTVMGHOOA-HZPDHXFCSA-N -1 3 284.359 2.870 10 0 CFAEHM Cc1cccc(C(=O)Nc2ccc(N)cc2F)c1[O-] ZINC000043473709 175054222 /nfs/dbraw/zinc/05/42/22/175054222.db2.gz GAZQQXXLQHSSQW-UHFFFAOYSA-N -1 3 260.268 2.674 10 0 CFAEHM CCCc1ccc([C@@H](C)N[C@H](C)c2nn[n-]n2)cc1 ZINC000044888366 175271680 /nfs/dbraw/zinc/27/16/80/175271680.db2.gz FTAHUIVGAHLFBI-GHMZBOCLSA-N -1 3 259.357 2.564 10 0 CFAEHM COc1ccc(Oc2ccc([C@H](N)C(=O)[O-])cc2)cc1 ZINC000072412539 176398976 /nfs/dbraw/zinc/39/89/76/176398976.db2.gz XKBWMYGJSRBUFR-AWEZNQCLSA-N -1 3 273.288 2.572 10 0 CFAEHM COc1ccc(F)cc1CN(CC(=O)[O-])C(C)(C)C ZINC000076706402 177065729 /nfs/dbraw/zinc/06/57/29/177065729.db2.gz JJGUKTBYUWDFTN-UHFFFAOYSA-N -1 3 269.316 2.519 10 0 CFAEHM O=C(c1cc([O-])ccc1F)N1CCC2(CCOCC2)CC1 ZINC000296268398 304500424 /nfs/dbraw/zinc/50/04/24/304500424.db2.gz YOXNCLIQBOZRKT-UHFFFAOYSA-N -1 3 293.338 2.564 10 0 CFAEHM C[C@H](CNCc1ccccc1Br)CC(=O)[O-] ZINC000258832051 270274803 /nfs/dbraw/zinc/27/48/03/270274803.db2.gz HEAJIDBDSPAITM-VIFPVBQESA-N -1 3 286.169 2.650 10 0 CFAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H]2c2ccco2)n1 ZINC000248788664 301372521 /nfs/dbraw/zinc/37/25/21/301372521.db2.gz WXXONBCTLXSLJA-NEPJUHHUSA-N -1 3 273.336 2.982 10 0 CFAEHM Cc1ccc(-c2nc(C(=O)[O-])cn2-c2ccncc2)cc1 ZINC000059555278 301469078 /nfs/dbraw/zinc/46/90/78/301469078.db2.gz ZQMZZOVHLZMQIF-UHFFFAOYSA-N -1 3 279.299 2.941 10 0 CFAEHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H]1c1ccco1 ZINC000188031791 324005479 /nfs/dbraw/zinc/00/54/79/324005479.db2.gz HXLUUSFOUKGDLS-GFCCVEGCSA-N -1 3 282.303 2.528 10 0 CFAEHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H]1c1ccco1 ZINC000188031791 324005468 /nfs/dbraw/zinc/00/54/68/324005468.db2.gz HXLUUSFOUKGDLS-GFCCVEGCSA-N -1 3 282.303 2.528 10 0 CFAEHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H]1c1ccco1 ZINC000188031791 324005474 /nfs/dbraw/zinc/00/54/74/324005474.db2.gz HXLUUSFOUKGDLS-GFCCVEGCSA-N -1 3 282.303 2.528 10 0 CFAEHM COC(=O)c1cc2c(c([O-])c1Br)CCCC2 ZINC000521838132 333227703 /nfs/dbraw/zinc/22/77/03/333227703.db2.gz QCPSWAWWRKGUSK-UHFFFAOYSA-N -1 3 285.137 2.820 10 0 CFAEHM CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000246275978 519693066 /nfs/dbraw/zinc/69/30/66/519693066.db2.gz BAOKPQNSJBZWAM-ZWNOBZJWSA-N -1 3 296.798 2.504 10 0 CFAEHM CCCC1CCN(Cc2occc2C(=O)[O-])CC1 ZINC000050894016 519902598 /nfs/dbraw/zinc/90/25/98/519902598.db2.gz SKPFBYSKBNZCDC-UHFFFAOYSA-N -1 3 251.326 2.990 10 0 CFAEHM CCN(CC)[C@H](CC(=O)[O-])c1ccc(OC)cc1OC ZINC000057579034 520859993 /nfs/dbraw/zinc/85/99/93/520859993.db2.gz ILIKKSFPNHTDMV-CYBMUJFWSA-N -1 3 281.352 2.561 10 0 CFAEHM CCOc1ccccc1CN(CC)[C@@H](C)CC(=O)[O-] ZINC000061182589 521478869 /nfs/dbraw/zinc/47/88/69/521478869.db2.gz LGRPYBCTYDMUCZ-LBPRGKRZSA-N -1 3 265.353 2.770 10 0 CFAEHM C[C@@H](CN1CCCCC1)Nc1cc(C(=O)[O-])cc(Cl)n1 ZINC000049502568 524607496 /nfs/dbraw/zinc/60/74/96/524607496.db2.gz VXERUJZMBZATDM-JTQLQIEISA-N -1 3 297.786 2.720 10 0 CFAEHM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1)c1cccnc1 ZINC000050508560 525588831 /nfs/dbraw/zinc/58/88/31/525588831.db2.gz LGMZKERHJIPGCD-BXUZGUMPSA-N -1 3 256.305 2.558 10 0 CFAEHM C[C@@H](N[C@H](CC(F)(F)F)c1ccccc1)C(=O)[O-] ZINC000049358100 525666518 /nfs/dbraw/zinc/66/65/18/525666518.db2.gz UJJDTQHYMHGJGF-PSASIEDQSA-N -1 3 261.243 2.743 10 0 CFAEHM COc1cccc(C(=O)N(C)[C@@H](C)CC(C)C)c1[O-] ZINC000055482318 525786711 /nfs/dbraw/zinc/78/67/11/525786711.db2.gz PKXOLUDDQNUCMK-NSHDSACASA-N -1 3 265.353 2.907 10 0 CFAEHM C[C@@H](c1ccccc1F)n1ccc(=O)[n-]c1=S ZINC000052313068 526107609 /nfs/dbraw/zinc/10/76/09/526107609.db2.gz BNOKBUHNBQADSF-QMMMGPOBSA-N -1 3 250.298 2.654 10 0 CFAEHM COc1cccc(N(C)C(=O)c2cccc([O-])c2)c1 ZINC000049973176 526130194 /nfs/dbraw/zinc/13/01/94/526130194.db2.gz KYXVUITYHLXHJX-UHFFFAOYSA-N -1 3 257.289 2.677 10 0 CFAEHM Cc1nc(CNc2nc(C)cc(C)c2C(=O)[O-])cs1 ZINC000049534937 526900584 /nfs/dbraw/zinc/90/05/84/526900584.db2.gz VJFLSYMPJCSKDP-UHFFFAOYSA-N -1 3 277.349 2.774 10 0 CFAEHM Cn1c2cc(F)ccc2nc1-c1ccc(N)cc1[O-] ZINC000052124385 527094444 /nfs/dbraw/zinc/09/44/44/527094444.db2.gz VZRQLUIPTMFHKW-UHFFFAOYSA-N -1 3 257.268 2.667 10 0 CFAEHM O=c1[n-]c(Cc2cc(F)cc(F)c2)nc2c1CCCC2 ZINC000049348145 527440057 /nfs/dbraw/zinc/44/00/57/527440057.db2.gz ZQVTZOTVUKWSED-UHFFFAOYSA-N -1 3 276.286 2.518 10 0 CFAEHM O=C([O-])CC[C@@H]1CCCCN1Cc1cn2ccccc2n1 ZINC000050924557 527595967 /nfs/dbraw/zinc/59/59/67/527595967.db2.gz KWORVHFTTDWBET-AWEZNQCLSA-N -1 3 287.363 2.554 10 0 CFAEHM CCC[C@@H](NCc1csc(-c2ccoc2)n1)C(=O)[O-] ZINC000262338518 618162462 /nfs/dbraw/zinc/16/24/62/618162462.db2.gz ZRYORXHZBPWZBV-LLVKDONJSA-N -1 3 280.349 2.746 10 0 CFAEHM [O-]c1ccc(OCC2CC2)cc1I ZINC000095727884 185021817 /nfs/dbraw/zinc/02/18/17/185021817.db2.gz MSNXJVBZWSGTII-UHFFFAOYSA-N -1 3 290.100 2.786 10 0 CFAEHM COc1cccc(-c2nc(-c3cnccc3C)no2)c1[O-] ZINC000168216280 232262839 /nfs/dbraw/zinc/26/28/39/232262839.db2.gz WNHFNKOUIQYPCR-UHFFFAOYSA-N -1 3 283.287 2.821 10 0 CFAEHM O=c1cc2[nH][n-]c(Cl)c-2c(I)c1 ZINC000014984214 346234738 /nfs/dbraw/zinc/23/47/38/346234738.db2.gz GVHLMAUJZDVMQT-UHFFFAOYSA-N -1 3 294.479 2.527 10 0 CFAEHM [O-]c1cc2[nH]nc(Cl)c2c(I)c1 ZINC000014984214 346234743 /nfs/dbraw/zinc/23/47/43/346234743.db2.gz GVHLMAUJZDVMQT-UHFFFAOYSA-N -1 3 294.479 2.527 10 0 CFAEHM CCOC(=O)C(Cc1cccc(O)c1)=C([O-])c1ccccc1 ZINC000036472964 346323341 /nfs/dbraw/zinc/32/33/41/346323341.db2.gz IILMOQIICMSZAU-MRXNPFEDSA-N -1 3 298.338 2.997 10 0 CFAEHM O=c1cc(Cl)[n-]c2[nH]cc(I)c21 ZINC000044713362 346398048 /nfs/dbraw/zinc/39/80/48/346398048.db2.gz BUROZCWRPZVBGC-UHFFFAOYSA-N -1 3 294.479 2.527 10 0 CFAEHM O=C(c1ccccc1)n1ccc2cc(-c3nnn[n-]3)ccc21 ZINC000115655684 347781228 /nfs/dbraw/zinc/78/12/28/347781228.db2.gz DQIMIIMMLXQQQV-UHFFFAOYSA-N -1 3 289.298 2.510 10 0 CFAEHM O=C(c1ccccc1)n1ccc2cc(-c3nn[n-]n3)ccc21 ZINC000115655684 347781231 /nfs/dbraw/zinc/78/12/31/347781231.db2.gz DQIMIIMMLXQQQV-UHFFFAOYSA-N -1 3 289.298 2.510 10 0 CFAEHM C[C@@H](c1ccc(F)cc1Cl)N1CC[C@H](C(=O)[O-])C1 ZINC000086790376 179335041 /nfs/dbraw/zinc/33/50/41/179335041.db2.gz KZLDSRCNDVDUKE-IUCAKERBSA-N -1 3 271.719 2.947 10 0 CFAEHM [O-]c1ccc(CNCc2ccc(Br)s2)nc1 ZINC000086791499 179336431 /nfs/dbraw/zinc/33/64/31/179336431.db2.gz YJKNTOUJJXKNNU-UHFFFAOYSA-N -1 3 299.193 2.901 10 0 CFAEHM CCn1cc([C@H](C)N2CCC(CC)(C(=O)[O-])CC2)cn1 ZINC000086788969 179333806 /nfs/dbraw/zinc/33/38/06/179333806.db2.gz CODRZWSBVGNQBY-LBPRGKRZSA-N -1 3 279.384 2.541 10 0 CFAEHM C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@]1(C)C(=O)[O-] ZINC000086816107 179343226 /nfs/dbraw/zinc/34/32/26/179343226.db2.gz GCIAABMARISWCR-OTYXRUKQSA-N -1 3 269.291 2.965 10 0 CFAEHM Cc1nc(N)[n-]c(=O)c1C12CC3CC(CC(C3)C1)C2 ZINC000169058915 348050301 /nfs/dbraw/zinc/05/03/01/348050301.db2.gz NXJIGRDYWLLNBX-UHFFFAOYSA-N -1 3 259.353 2.541 10 0 CFAEHM Cc1nc2cc(Br)ccc2c(=S)[n-]1 ZINC000235954074 348231105 /nfs/dbraw/zinc/23/11/05/348231105.db2.gz FVSFAMZQDRNNFI-UHFFFAOYSA-N -1 3 255.140 2.989 10 0 CFAEHM CCC[C@@H](C)C(=O)NCCc1cc([O-])cc(F)c1 ZINC000725262823 539619278 /nfs/dbraw/zinc/61/92/78/539619278.db2.gz WCZXZJKEGQNDIB-SNVBAGLBSA-N -1 3 253.317 2.626 10 0 CFAEHM CCCC(C)(C)c1[n-]nnc1C(=O)OC(C)(C)C ZINC000725266323 539623225 /nfs/dbraw/zinc/62/32/25/539623225.db2.gz HFKYOGDAWXFGGW-UHFFFAOYSA-N -1 3 253.346 2.838 10 0 CFAEHM CCCC(C)(C)c1nn[n-]c1C(=O)OC(C)(C)C ZINC000725266323 539623229 /nfs/dbraw/zinc/62/32/29/539623229.db2.gz HFKYOGDAWXFGGW-UHFFFAOYSA-N -1 3 253.346 2.838 10 0 CFAEHM CCCC(C)(C)c1n[n-]nc1C(=O)OC(C)(C)C ZINC000725266323 539623234 /nfs/dbraw/zinc/62/32/34/539623234.db2.gz HFKYOGDAWXFGGW-UHFFFAOYSA-N -1 3 253.346 2.838 10 0 CFAEHM 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175213565 /nfs/dbraw/zinc/21/35/65/175213565.db2.gz AWSFQMFMOBSMJM-CQSZACIVSA-N -1 3 273.357 2.932 10 0 CFAEHM Cc1cc(N)ccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000044750350 175244917 /nfs/dbraw/zinc/24/49/17/175244917.db2.gz UOEBSYKJLOJBGA-UHFFFAOYSA-N -1 3 267.288 3.000 10 0 CFAEHM Cc1c(F)cccc1Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000057343180 280239497 /nfs/dbraw/zinc/23/94/97/280239497.db2.gz MNKNQWHZZJKGDV-UHFFFAOYSA-N -1 3 273.311 2.840 10 0 CFAEHM COc1cc2nc(Cl)[n-]c(=O)c2c(OC2CCC2)c1 ZINC000498049353 332663343 /nfs/dbraw/zinc/66/33/43/332663343.db2.gz OSPXEAYTJZRXAB-UHFFFAOYSA-N -1 3 280.711 2.929 10 0 CFAEHM CCN(Cc1cc(C(=O)[O-])ccc1F)CC1CC1 ZINC000069264714 521286980 /nfs/dbraw/zinc/28/69/80/521286980.db2.gz PZLYORVEYIRYCO-UHFFFAOYSA-N -1 3 251.301 2.756 10 0 CFAEHM CCN(Cc1cccc(F)c1F)[C@@H](C)CC(=O)[O-] ZINC000061182389 521350356 /nfs/dbraw/zinc/35/03/56/521350356.db2.gz AKLKRZKJQKQWQU-VIFPVBQESA-N -1 3 257.280 2.650 10 0 CFAEHM CN(C)[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000057567165 522070176 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ZINC000260451591 383505433 /nfs/dbraw/zinc/50/54/33/383505433.db2.gz RWMMURNDHQYFAE-UHFFFAOYSA-N -1 3 268.618 2.780 10 0 CFAEHM COC(=O)c1cc(Cl)c(C(F)(F)F)cc1[O-] ZINC000253533165 131143622 /nfs/dbraw/zinc/14/36/22/131143622.db2.gz KBMVLEGUYRDYPH-UHFFFAOYSA-N -1 3 254.591 2.851 10 0 CFAEHM Fc1ccc(-c2n[nH]c3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000000009177 393446827 /nfs/dbraw/zinc/44/68/27/393446827.db2.gz GAWLXBAMCYAGJS-UHFFFAOYSA-N -1 3 280.266 2.549 10 0 CFAEHM Fc1ccc(-c2n[nH]c3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000000009177 393446831 /nfs/dbraw/zinc/44/68/31/393446831.db2.gz GAWLXBAMCYAGJS-UHFFFAOYSA-N -1 3 280.266 2.549 10 0 CFAEHM Cc1ccc(-c2nc(Cc3ccccn3)no2)c([O-])c1 ZINC000111687388 393886969 /nfs/dbraw/zinc/88/69/69/393886969.db2.gz RPJXFMIHVRLMGP-UHFFFAOYSA-N -1 3 267.288 2.736 10 0 CFAEHM CN1CCC[C@@H](C(=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000238854300 397627371 /nfs/dbraw/zinc/62/73/71/397627371.db2.gz NLGJBZSAVIJXON-VXGBXAGGSA-N -1 3 253.729 2.808 10 0 CFAEHM C[C@@H]1CC[C@H](C)N(C(=O)c2cc([O-])ccc2F)C1 ZINC000295126796 296690453 /nfs/dbraw/zinc/69/04/53/296690453.db2.gz HPDUANHKMVDQDE-ZJUUUORDSA-N -1 3 251.301 2.792 10 0 CFAEHM CCC(=O)Oc1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000005856608 170147690 /nfs/dbraw/zinc/14/76/90/170147690.db2.gz DFUVYSBCSZKQQN-UHFFFAOYSA-N -1 3 285.299 2.960 10 0 CFAEHM O=C([O-])CCOc1cccc(CN2CCCCC2)c1 ZINC000006092491 170175546 /nfs/dbraw/zinc/17/55/46/170175546.db2.gz GBECGCDVAVIEJP-UHFFFAOYSA-N -1 3 263.337 2.526 10 0 CFAEHM CC[C@H](C)NC(=O)c1cc(-c2ccccc2[O-])no1 ZINC000006873373 170251928 /nfs/dbraw/zinc/25/19/28/170251928.db2.gz RGSVDUHDYMLTMR-VIFPVBQESA-N -1 3 260.293 2.576 10 0 CFAEHM Cc1ncc(CO)c(CNc2ccccc2Cl)c1[O-] ZINC000006900481 170254127 /nfs/dbraw/zinc/25/41/27/170254127.db2.gz VGRXSFRLXYKKLS-UHFFFAOYSA-N -1 3 278.739 2.853 10 0 CFAEHM CC(C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000007212537 170272105 /nfs/dbraw/zinc/27/21/05/170272105.db2.gz IPFCCKKZWNZBBL-QMMMGPOBSA-N -1 3 279.764 2.802 10 0 CFAEHM C[C@H]1[C@H]([N-]S(=O)(=O)c2ccccc2F)CCC[C@@H]1C ZINC000007377214 170280417 /nfs/dbraw/zinc/28/04/17/170280417.db2.gz LFSHOJGIGOOZQA-DMDPSCGWSA-N -1 3 285.384 2.929 10 0 CFAEHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CO)c2)c(C)c1 ZINC000007422021 170283857 /nfs/dbraw/zinc/28/38/57/170283857.db2.gz KQTCXVIHLXDVFS-UHFFFAOYSA-N -1 3 291.372 2.597 10 0 CFAEHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC000019402140 170785285 /nfs/dbraw/zinc/78/52/85/170785285.db2.gz MXJCVNDVLIFLIY-UHFFFAOYSA-N -1 3 290.388 2.940 10 0 CFAEHM Cc1cccc(C(=O)N(C)c2ccc(O)cc2)c1[O-] ZINC000020211073 171075175 /nfs/dbraw/zinc/07/51/75/171075175.db2.gz NYFZJELEMUQKGC-UHFFFAOYSA-N -1 3 257.289 2.683 10 0 CFAEHM Cc1ccc(S(=O)(=O)[N-]c2cccc(N)c2C)cc1 ZINC000021961980 171342802 /nfs/dbraw/zinc/34/28/02/171342802.db2.gz ODMVWFIRGJXHDC-UHFFFAOYSA-N -1 3 276.361 2.686 10 0 CFAEHM Cc1cc(N)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000021967113 171343987 /nfs/dbraw/zinc/34/39/87/171343987.db2.gz BALUZLZWDGPVFI-UHFFFAOYSA-N -1 3 280.324 2.517 10 0 CFAEHM COC(=O)c1cc(OC)c([O-])c(-c2ccccc2O)c1 ZINC000021987939 171345668 /nfs/dbraw/zinc/34/56/68/171345668.db2.gz UHGLTNNOVWSSBW-UHFFFAOYSA-N -1 3 274.272 2.560 10 0 CFAEHM CCc1ccccc1[N-]S(=O)(=O)c1cccc(CN)c1 ZINC000022170690 171367700 /nfs/dbraw/zinc/36/77/00/171367700.db2.gz YCAKFIMCGRTHKG-UHFFFAOYSA-N -1 3 290.388 2.509 10 0 CFAEHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC000022219373 171377381 /nfs/dbraw/zinc/37/73/81/171377381.db2.gz WYGRKFXTXXAVEW-UHFFFAOYSA-N -1 3 280.324 2.517 10 0 CFAEHM O=C(NCCc1cccc(F)c1)c1ccc([O-])cc1 ZINC000035137468 172004971 /nfs/dbraw/zinc/00/49/71/172004971.db2.gz QUCKCFKTLQQRHX-UHFFFAOYSA-N -1 3 259.280 2.504 10 0 CFAEHM C[C@@H](O)c1ccccc1NC(=O)c1ccc([O-])cc1 ZINC000035646892 172323362 /nfs/dbraw/zinc/32/33/62/172323362.db2.gz WZWBRABBNOHHFF-SNVBAGLBSA-N -1 3 257.289 2.698 10 0 CFAEHM COc1cc(CN2CCC[C@]2(C)C(=O)[O-])ccc1Cl ZINC000652480483 413975928 /nfs/dbraw/zinc/97/59/28/413975928.db2.gz HAIHYYIHDFPKOY-CQSZACIVSA-N -1 3 283.755 2.788 10 0 CFAEHM CCN(CC)[C@@](C)(C(=O)[O-])c1ccccc1Cl ZINC000037360778 173149886 /nfs/dbraw/zinc/14/98/86/173149886.db2.gz QJICCEPNMGRMDQ-CYBMUJFWSA-N -1 3 255.745 2.982 10 0 CFAEHM COc1ccc(CN2CCCC[C@H]2CC(=O)[O-])cc1OC ZINC000038027711 174014100 /nfs/dbraw/zinc/01/41/00/174014100.db2.gz TYDASVQULCGKNW-ZDUSSCGKSA-N -1 3 293.363 2.533 10 0 CFAEHM O=C([O-])[C@H](c1ccc(F)cc1F)N1CCCCCC1 ZINC000038086475 174097922 /nfs/dbraw/zinc/09/79/22/174097922.db2.gz SZDQZVIZGIJIPL-ZDUSSCGKSA-N -1 3 269.291 2.967 10 0 CFAEHM CC(C)CN(CC(C)C)S(=O)(=O)c1ccc([O-])cc1 ZINC000042034738 174634386 /nfs/dbraw/zinc/63/43/86/174634386.db2.gz WWCJPMJWBGPFJA-UHFFFAOYSA-N -1 3 285.409 2.695 10 0 CFAEHM CC(C)c1cc(=O)[n-]c(-c2cc(F)cc(F)c2)n1 ZINC000043387589 175033117 /nfs/dbraw/zinc/03/31/17/175033117.db2.gz KTYHRRHJKZBZJM-UHFFFAOYSA-N -1 3 250.248 2.839 10 0 CFAEHM CC(C)C[C@H](NCc1csc(-c2ccco2)n1)C(=O)[O-] ZINC000043442686 175046828 /nfs/dbraw/zinc/04/68/28/175046828.db2.gz UNAWXAAPTDKWRJ-NSHDSACASA-N -1 3 294.376 2.992 10 0 CFAEHM Cc1ccc(C(=O)Nc2ccc(N)cc2F)c([O-])c1 ZINC000043473723 175054254 /nfs/dbraw/zinc/05/42/54/175054254.db2.gz ACPAPEQBOABRGT-UHFFFAOYSA-N -1 3 260.268 2.674 10 0 CFAEHM O=C([O-])CC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000043585342 175070888 /nfs/dbraw/zinc/07/08/88/175070888.db2.gz JPCKSINKVHHETG-GFCCVEGCSA-N -1 3 265.328 2.903 10 0 CFAEHM O=C([O-])/C=C/c1ccc(CN2CCCSCC2)s1 ZINC000043684892 175093896 /nfs/dbraw/zinc/09/38/96/175093896.db2.gz BKHQJRKQWWOOOE-SNAWJCMRSA-N -1 3 283.418 2.785 10 0 CFAEHM CN1CCCC[C@H]1Cn1c(=O)c2sccc2[n-]c1=S ZINC000044563846 175207607 /nfs/dbraw/zinc/20/76/07/175207607.db2.gz PGCLKFUWBNNHEV-VIFPVBQESA-N -1 3 295.433 2.605 10 0 CFAEHM O=C([O-])[C@@H]1c2ccsc2CCN1Cc1ccccc1 ZINC000044592216 175213371 /nfs/dbraw/zinc/21/33/71/175213371.db2.gz AWSFQMFMOBSMJM-AWEZNQCLSA-N -1 3 273.357 2.932 10 0 CFAEHM O=c1nc(CN[C@@H]2C[C@@H]2c2ccccc2)[n-]c2ccsc21 ZINC000044677095 175227507 /nfs/dbraw/zinc/22/75/07/175227507.db2.gz PQPVWDMWCLIPJM-DGCLKSJQSA-N -1 3 297.383 2.630 10 0 CFAEHM CC(C)Cc1ccc([C@@H](C)N[C@@H](C)c2nn[n-]n2)cc1 ZINC000044923108 175277473 /nfs/dbraw/zinc/27/74/73/175277473.db2.gz PGVPTMRQUOLPHD-NEPJUHHUSA-N -1 3 273.384 2.810 10 0 CFAEHM N[C@@H](c1ccc([O-])c(Br)c1)C(F)(F)F ZINC000072190864 176336344 /nfs/dbraw/zinc/33/63/44/176336344.db2.gz WMEQOAHOFXHHRD-ZETCQYMHSA-N -1 3 270.048 2.717 10 0 CFAEHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N)c(F)c2)cc1 ZINC000076475240 177025550 /nfs/dbraw/zinc/02/55/50/177025550.db2.gz AUDARCQNIPXYQJ-UHFFFAOYSA-N -1 3 280.324 2.517 10 0 CFAEHM COC(=O)c1ccc([O-])c([C@@H](CCO)c2ccccc2)c1 ZINC000077300812 177250619 /nfs/dbraw/zinc/25/06/19/177250619.db2.gz MWYMQEBIZZHNHO-AWEZNQCLSA-N -1 3 286.327 2.693 10 0 in-vitro CFAEHM CC[C@@H](CCNc1nccn1CC)CCC(=O)[O-] ZINC000079214754 177449599 /nfs/dbraw/zinc/44/95/99/177449599.db2.gz SRYGAXLQIWWICI-LLVKDONJSA-N -1 3 253.346 2.596 10 0 CFAEHM C[C@@H]1Cc2ccccc2N1c1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000057342593 279019789 /nfs/dbraw/zinc/01/97/89/279019789.db2.gz ZOKJTTSJRAVDRD-MRVPVSSYSA-N -1 3 295.264 2.871 10 0 CFAEHM C[C@@H]1CCN(c2ccnc3ccccc32)C[C@H]1C(=O)[O-] ZINC000565950704 290336614 /nfs/dbraw/zinc/33/66/14/290336614.db2.gz IBERJDBEOISGMQ-DGCLKSJQSA-N -1 3 270.332 2.782 10 0 CFAEHM Nc1ccc2c(c1)N(C(=O)c1cccc([O-])c1)CCS2 ZINC000038051196 295360018 /nfs/dbraw/zinc/36/00/18/295360018.db2.gz MSZTZIMBUFEOCM-UHFFFAOYSA-N -1 3 286.356 2.727 10 0 CFAEHM FC(F)(F)c1nnc(-c2ccc(Br)cn2)[n-]1 ZINC000584642192 501026808 /nfs/dbraw/zinc/02/68/08/501026808.db2.gz ULQIWFTYEFWYBA-UHFFFAOYSA-N -1 3 293.046 2.648 10 0 CFAEHM FC(F)(F)c1n[n-]c(-c2ccc(Br)cn2)n1 ZINC000584642192 501026810 /nfs/dbraw/zinc/02/68/10/501026810.db2.gz ULQIWFTYEFWYBA-UHFFFAOYSA-N -1 3 293.046 2.648 10 0 CFAEHM FC(F)(F)c1nc(-c2ccc(Br)cn2)n[n-]1 ZINC000584642192 501026813 /nfs/dbraw/zinc/02/68/13/501026813.db2.gz ULQIWFTYEFWYBA-UHFFFAOYSA-N -1 3 293.046 2.648 10 0 CFAEHM CCCNCc1cc(Cl)ccc1O[C@H](C)C(=O)[O-] ZINC000049850651 519948045 /nfs/dbraw/zinc/94/80/45/519948045.db2.gz MAQDVCZHVFHMGZ-SECBINFHSA-N -1 3 271.744 2.692 10 0 CFAEHM COc1ccc(-c2nc(C)c(C(C)C)c(=O)[n-]2)cc1 ZINC000061688268 523194120 /nfs/dbraw/zinc/19/41/20/523194120.db2.gz NECWWXWVLGGPTL-UHFFFAOYSA-N -1 3 258.321 2.877 10 0 CFAEHM COc1ccc(-c2nc(C)c(C(C)C)c(=O)[n-]2)cc1O ZINC000061688376 523194548 /nfs/dbraw/zinc/19/45/48/523194548.db2.gz CKVMETZXDKBPDL-UHFFFAOYSA-N -1 3 274.320 2.583 10 0 CFAEHM CCc1[n-]c(-c2ccc(F)cc2F)nc1C(=O)OC ZINC000051017736 523657577 /nfs/dbraw/zinc/65/75/77/523657577.db2.gz YDHINOGBWPECSW-UHFFFAOYSA-N -1 3 266.247 2.704 10 0 CFAEHM C[C@H](CN1CCCC1)n1c(=O)c2ccsc2[n-]c1=S ZINC000049185519 524321367 /nfs/dbraw/zinc/32/13/67/524321367.db2.gz BSEHSBMEQFUYBM-SECBINFHSA-N -1 3 295.433 2.777 10 0 CFAEHM C[C@@H]([N-]S(=O)(=O)c1cc(N)cs1)C1CCCCC1 ZINC000052333722 525574328 /nfs/dbraw/zinc/57/43/28/525574328.db2.gz UFNBLGSWRZVVME-SECBINFHSA-N -1 3 288.438 2.577 10 0 CFAEHM C[C@@H]1[C@@H](C)CCCN1CC(=O)c1cc(F)ccc1[O-] ZINC000050565916 525640240 /nfs/dbraw/zinc/64/02/40/525640240.db2.gz QAGPVPGRMMQYRL-WDEREUQCSA-N -1 3 265.328 2.834 10 0 CFAEHM O=C([O-])c1ccc(SCCN2CCCCC2)o1 ZINC000069335369 526383196 /nfs/dbraw/zinc/38/31/96/526383196.db2.gz VFLWHTDVJZGRBR-UHFFFAOYSA-N -1 3 255.339 2.556 10 0 CFAEHM Cc1nc(C)c([C@H](C)Nc2ccccc2[C@@H](C)O)c(=O)[n-]1 ZINC000049543159 526755940 /nfs/dbraw/zinc/75/59/40/526755940.db2.gz LZZOFBCPCSQAIK-WDEREUQCSA-N -1 3 287.363 2.613 10 0 CFAEHM O=c1ccn(Cc2cccc(C(F)(F)F)c2)c(=S)[n-]1 ZINC000052312544 527490754 /nfs/dbraw/zinc/49/07/54/527490754.db2.gz MALYRKGVSYIZCZ-UHFFFAOYSA-N -1 3 286.278 2.973 10 0 CFAEHM O=C([O-])[C@@H](N[C@H]1CCc2c1cccc2O)c1ccccc1 ZINC000050509611 527655343 /nfs/dbraw/zinc/65/53/43/527655343.db2.gz NHFLSJXUIHNKSJ-HOCLYGCPSA-N -1 3 283.327 2.795 10 0 CFAEHM O=c1ccc(O)c2oc(-c3ccccc3)cc([O-])c1-2 ZINC000000898960 560179359 /nfs/dbraw/zinc/17/93/59/560179359.db2.gz KYLWJAUHHPTDDH-UHFFFAOYSA-N -1 3 254.241 2.871 10 0 biogenic,in-vitro CFAEHM CC(C)N1C[C@H](C(=O)[O-])[C@@H](c2cc(Cl)ccc2F)C1 ZINC000757189619 617878140 /nfs/dbraw/zinc/87/81/40/617878140.db2.gz KOWMWEGCXRGSKL-NEPJUHHUSA-N -1 3 285.746 2.988 10 0 CFAEHM Cc1cnc([C@@H](C)NCc2ccc([O-])c(F)c2)o1 ZINC000231740320 623367421 /nfs/dbraw/zinc/36/74/21/623367421.db2.gz IKNMTXBYWQLWSU-SECBINFHSA-N -1 3 250.273 2.679 10 0 CFAEHM CC(C)N1C[C@H](C(=O)[O-])[C@H](c2cc(Cl)ccc2F)C1 ZINC000757189628 630878914 /nfs/dbraw/zinc/87/89/14/630878914.db2.gz KOWMWEGCXRGSKL-RYUDHWBXSA-N -1 3 285.746 2.988 10 0 CFAEHM C[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1cccs1 ZINC000029185184 646050169 /nfs/dbraw/zinc/05/01/69/646050169.db2.gz YYQYVZANMLRRHY-YWEFTTLKSA-N -1 3 298.367 2.710 10 0 CFAEHM COc1c(O)cc([O-])c(Br)c1Cl ZINC000095559389 185009251 /nfs/dbraw/zinc/00/92/51/185009251.db2.gz VDSARUMLTVXWEZ-UHFFFAOYSA-N -1 3 253.479 2.522 10 0 CFAEHM O=C(c1cc([O-])ccc1F)N1CCC[C@@H]2CCC[C@@H]21 ZINC000295103496 199345939 /nfs/dbraw/zinc/34/59/39/199345939.db2.gz XOSFQDUQWDBTNR-HZMBPMFUSA-N -1 3 263.312 2.936 10 0 CFAEHM O=C(c1ccccc1)n1ccc2c1cccc2-c1nnn[n-]1 ZINC000115663424 347780801 /nfs/dbraw/zinc/78/08/01/347780801.db2.gz NCVJNMCKNXMCFA-UHFFFAOYSA-N -1 3 289.298 2.510 10 0 CFAEHM O=C(c1ccccc1)n1ccc2c1cccc2-c1nn[n-]n1 ZINC000115663424 347780803 /nfs/dbraw/zinc/78/08/03/347780803.db2.gz NCVJNMCKNXMCFA-UHFFFAOYSA-N -1 3 289.298 2.510 10 0 CFAEHM CCc1oc2cc(Br)c(F)cc2c1[O-] ZINC000137654507 347914027 /nfs/dbraw/zinc/91/40/27/347914027.db2.gz CDLALVWFTDAPGZ-MRVPVSSYSA-N -1 3 259.074 2.942 10 0 CFAEHM CCc1oc2c(c1[O-])c(Br)ccc2F ZINC000160504060 348017844 /nfs/dbraw/zinc/01/78/44/348017844.db2.gz LZDZSRXXQFUHFK-ZETCQYMHSA-N -1 3 259.074 2.942 10 0 CFAEHM CCC1(C(=O)[O-])CCN([C@H](C)c2ccccn2)CC1 ZINC000086789109 179334298 /nfs/dbraw/zinc/33/42/98/179334298.db2.gz DPWUPMAPRYRMHW-GFCCVEGCSA-N -1 3 262.353 2.719 10 0 CFAEHM C[C@H](c1ccc(OC(F)F)cc1)N1CC(CC(=O)[O-])C1 ZINC000086811384 179341250 /nfs/dbraw/zinc/34/12/50/179341250.db2.gz FWAYMZDDCFDKBQ-SECBINFHSA-N -1 3 285.290 2.756 10 0 CFAEHM O=C([O-])CC1CN([C@@H](c2ccccc2)c2ccccn2)C1 ZINC000086811492 179341734 /nfs/dbraw/zinc/34/17/34/179341734.db2.gz ROKLTDKQFZDXKM-KRWDZBQOSA-N -1 3 282.343 2.578 10 0 CFAEHM CC(C)(C)OC(=O)c1cc2c(Cl)[n-]cnc-2n1 ZINC000221794805 348172586 /nfs/dbraw/zinc/17/25/86/348172586.db2.gz ZRISKYMQDIAOHD-UHFFFAOYSA-N -1 3 253.689 2.567 10 0 CFAEHM CC(C)(C)OC(=O)c1cc2c(Cl)nc[n-]c-2n1 ZINC000221794805 348172590 /nfs/dbraw/zinc/17/25/90/348172590.db2.gz ZRISKYMQDIAOHD-UHFFFAOYSA-N -1 3 253.689 2.567 10 0 CFAEHM CC(C)(C)OC(=O)c1cc2c([n-]1)ncnc2Cl ZINC000221794805 348172593 /nfs/dbraw/zinc/17/25/93/348172593.db2.gz ZRISKYMQDIAOHD-UHFFFAOYSA-N -1 3 253.689 2.567 10 0 CFAEHM S=c1[n-]c(-c2cncs2)ncc1Br ZINC000236577929 348234372 /nfs/dbraw/zinc/23/43/72/348234372.db2.gz DXJUSAMTKHFOMH-UHFFFAOYSA-N -1 3 274.168 2.651 10 0 CFAEHM CCCc1cc(=O)[n-]c([C@H]2CCOc3ccccc32)n1 ZINC000088008248 179535238 /nfs/dbraw/zinc/53/52/38/179535238.db2.gz KQKVFDOFAAJSCH-ZDUSSCGKSA-N -1 3 270.332 2.637 10 0 CFAEHM O=C([O-])c1cccc([C@@H]2CNCCN2Cc2ccccc2)c1 ZINC000616636253 352394203 /nfs/dbraw/zinc/39/42/03/352394203.db2.gz TYJKJDFYJUKSDU-KRWDZBQOSA-N -1 3 296.370 2.531 10 0 CFAEHM Cc1cc(NC[C@@H]2CCCO2)c2cc(C(=O)[O-])ccc2n1 ZINC000004226432 371842478 /nfs/dbraw/zinc/84/24/78/371842478.db2.gz SBNBWYCKJFSZOO-LBPRGKRZSA-N -1 3 286.331 2.832 10 0 CFAEHM CC(C)N1Cc2cc(C(F)(F)F)ccc2C[C@H]1C(=O)[O-] ZINC000008699004 371897961 /nfs/dbraw/zinc/89/79/61/371897961.db2.gz VQSQENSBOAEKBG-LBPRGKRZSA-N -1 3 287.281 2.925 10 0 CFAEHM Cc1ccc([N-]S(=O)(=O)c2cc(N)ccc2C)cc1 ZINC000020006269 372219873 /nfs/dbraw/zinc/21/98/73/372219873.db2.gz VZZGFQREUXMKFR-UHFFFAOYSA-N -1 3 276.361 2.686 10 0 CFAEHM O=c1c(Cl)c[n-]c2c(Br)cccc12 ZINC000041702036 372859474 /nfs/dbraw/zinc/85/94/74/372859474.db2.gz JCXOKHKVTKLUON-UHFFFAOYSA-N -1 3 258.502 2.944 10 0 CFAEHM CCN1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000092632823 375132940 /nfs/dbraw/zinc/13/29/40/375132940.db2.gz LPLXHYPBKIWYDC-LBPRGKRZSA-N -1 3 296.798 2.602 10 0 CFAEHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c([O-])c1 ZINC000094148940 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CCOC(=O)C(=C(C)[O-])c1nc2ccccc2s1 ZINC000138015101 378229599 /nfs/dbraw/zinc/22/95/99/378229599.db2.gz IQVZNTKFLHCXNP-LLVKDONJSA-N -1 3 263.318 2.532 10 0 CFAEHM O=C(c1cc([O-])ccc1Cl)N1C[C@H]2CCC[C@@H]21 ZINC000335908973 380090449 /nfs/dbraw/zinc/09/04/49/380090449.db2.gz XJHLCNXCULPCOY-PELKAZGASA-N -1 3 251.713 2.670 10 0 CFAEHM C[C@H]1C[C@@H]1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186525854 381937180 /nfs/dbraw/zinc/93/71/80/381937180.db2.gz ZQPPEYLYUUHKGP-ZBEGNZNMSA-N -1 3 295.338 2.761 10 0 CFAEHM C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000189658646 382633137 /nfs/dbraw/zinc/63/31/37/382633137.db2.gz QQSPZLISOFGHIJ-WPRPVWTQSA-N -1 3 269.728 2.799 10 0 CFAEHM Cc1cc(Br)c(=O)[n-]c1C(=O)OC(C)(C)C ZINC000575432163 382770617 /nfs/dbraw/zinc/77/06/17/382770617.db2.gz KGSXJBLSRJIOGI-UHFFFAOYSA-N -1 3 288.141 2.813 10 0 CFAEHM S=c1[n-]c(-c2cncc(Br)c2)co1 ZINC000575548866 382773665 /nfs/dbraw/zinc/77/36/65/382773665.db2.gz DYOGQAMATUZWKU-UHFFFAOYSA-N -1 3 257.112 2.788 10 0 CFAEHM [O-]c1c(OC(F)F)ccc(CO)c1C(F)(F)F ZINC000575662420 382781837 /nfs/dbraw/zinc/78/18/37/382781837.db2.gz ZSNVBINCUJCPAW-UHFFFAOYSA-N -1 3 258.142 2.505 10 0 CFAEHM [O-]c1cc(Br)c(CO)c(OC(F)(F)F)c1 ZINC000575691626 382788921 /nfs/dbraw/zinc/78/89/21/382788921.db2.gz OCNCLXFXUXGFEK-UHFFFAOYSA-N -1 3 287.031 2.546 10 0 CFAEHM CCOc1cc([O-])c(I)cc1CC ZINC000575694337 382789658 /nfs/dbraw/zinc/78/96/58/382789658.db2.gz DCSRKGZLXPZBQI-UHFFFAOYSA-N -1 3 292.116 2.958 10 0 CFAEHM COC(=O)c1c(OC(F)F)ccc([O-])c1Br ZINC000575710534 382793295 /nfs/dbraw/zinc/79/32/95/382793295.db2.gz IOTUDNIXYBNPPF-UHFFFAOYSA-N -1 3 297.051 2.543 10 0 CFAEHM CN1CCc2ccccc2[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000259418532 383500942 /nfs/dbraw/zinc/50/09/42/383500942.db2.gz IOHYNCUQRREBCE-INIZCTEOSA-N -1 3 267.328 2.962 10 0 CFAEHM Cc1ccc(F)cc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405354804 413223482 /nfs/dbraw/zinc/22/34/82/413223482.db2.gz CDBHQBVJCFSWLJ-AWEZNQCLSA-N -1 3 277.339 2.821 10 0 CFAEHM Cc1[nH]c2ccc(C(=O)[O-])cc2c(=O)c1CN1CCCC1 ZINC000008713940 170348674 /nfs/dbraw/zinc/34/86/74/170348674.db2.gz HEVFQOOPLCQEDE-UHFFFAOYSA-N -1 3 286.331 2.543 10 0 CFAEHM O=C([O-])c1ccccc1SCCN1CCCC1 ZINC000020253590 171106833 /nfs/dbraw/zinc/10/68/33/171106833.db2.gz QROBUNLBTCLIAG-UHFFFAOYSA-N -1 3 251.351 2.573 10 0 CFAEHM Nc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000020553852 171249247 /nfs/dbraw/zinc/24/92/47/171249247.db2.gz WREJFUMQBZLOEP-UHFFFAOYSA-N -1 3 253.261 2.691 10 0 CFAEHM CC(C)(CO)NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000020875476 171277243 /nfs/dbraw/zinc/27/72/43/171277243.db2.gz ULZOLELGHFWPOU-UHFFFAOYSA-N -1 3 289.331 2.505 10 0 CFAEHM CC(=O)Nc1ccc(NC(=O)c2ccccc2C)c([O-])c1 ZINC000021003207 171284455 /nfs/dbraw/zinc/28/44/55/171284455.db2.gz WVSXOQNBFDEFCN-UHFFFAOYSA-N -1 3 284.315 2.911 10 0 CFAEHM CC1CCC([N-]S(=O)(=O)c2cccnc2Cl)CC1 ZINC000035186144 172040821 /nfs/dbraw/zinc/04/08/21/172040821.db2.gz RDBFKJQTIFVOIN-UHFFFAOYSA-N -1 3 288.800 2.592 10 0 CFAEHM C[C@H](O)c1cccc(NC(=O)c2ccc([O-])cc2)c1 ZINC000035646550 172323646 /nfs/dbraw/zinc/32/36/46/172323646.db2.gz OGZLWDKXAYXDOO-JTQLQIEISA-N -1 3 257.289 2.698 10 0 CFAEHM O=c1cc(-c2ccccc2)nc(-c2ccc(O)cc2)[n-]1 ZINC000036755502 172679456 /nfs/dbraw/zinc/67/94/56/172679456.db2.gz FBVSXHUCGDNEFL-UHFFFAOYSA-N -1 3 264.284 2.810 10 0 CFAEHM COCCSCc1cc(F)cc(C(C)=O)c1[O-] ZINC000037330942 173132623 /nfs/dbraw/zinc/13/26/23/173132623.db2.gz NDBKSOIHXCYCSO-UHFFFAOYSA-N -1 3 258.314 2.614 10 0 CFAEHM CCN(CC(=O)c1ccc([O-])cc1O)C1CCCC1 ZINC000037337466 173138730 /nfs/dbraw/zinc/13/87/30/173138730.db2.gz SBBXDDAKVKROMK-UHFFFAOYSA-N -1 3 263.337 2.545 10 0 CFAEHM C[C@](C(=O)[O-])(c1cccc(Br)c1)N1CCCC1 ZINC000037359790 173149452 /nfs/dbraw/zinc/14/94/52/173149452.db2.gz DFIVPYXGLDLHSY-CYBMUJFWSA-N -1 3 298.180 2.845 10 0 CFAEHM N[C@@H](CCC(=O)[O-])c1cc(Cl)sc1Cl ZINC000037379656 173167017 /nfs/dbraw/zinc/16/70/17/173167017.db2.gz ZPSXQTKRUNJIOD-YFKPBYRVSA-N -1 3 254.138 2.920 10 0 CFAEHM COc1ccc(F)cc1CN1CCCC[C@H]1CC(=O)[O-] ZINC000038028082 174014927 /nfs/dbraw/zinc/01/49/27/174014927.db2.gz DBSLCOMKYBNACD-ZDUSSCGKSA-N -1 3 281.327 2.664 10 0 CFAEHM CC[C@H](C)N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000038066403 174077664 /nfs/dbraw/zinc/07/76/64/174077664.db2.gz SWUURZRWOGKPSQ-CPCISQLKSA-N -1 3 259.708 2.993 10 0 CFAEHM S=c1[n-]nc(C2CCN(Cc3ccccc3)CC2)o1 ZINC000038527041 174143983 /nfs/dbraw/zinc/14/39/83/174143983.db2.gz ZZQTZWGJDZQYKX-UHFFFAOYSA-N -1 3 275.377 2.738 10 0 CFAEHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000040314103 174232485 /nfs/dbraw/zinc/23/24/85/174232485.db2.gz FGHDZPMZTDNBJS-ZETCQYMHSA-N -1 3 294.779 2.528 10 0 CFAEHM CN(C)CCOc1c(/C=C/C(=O)[O-])ccc2ccccc21 ZINC000040541827 174322869 /nfs/dbraw/zinc/32/28/69/174322869.db2.gz FYMBKJZRJGHOTB-MDZDMXLPSA-N -1 3 285.343 2.878 10 0 CFAEHM Cc1cc([N-]c2ncnc(OC3CCCCC3)c2N)no1 ZINC000040681178 174375347 /nfs/dbraw/zinc/37/53/47/174375347.db2.gz BKCHIXVPVCQTGS-UHFFFAOYSA-N -1 3 289.339 2.810 10 0 CFAEHM COc1cc(NC(=O)c2cccc(C)c2[O-])ccc1N ZINC000040769672 174399492 /nfs/dbraw/zinc/39/94/92/174399492.db2.gz YSAUPWFYAWAILE-UHFFFAOYSA-N -1 3 272.304 2.544 10 0 CFAEHM Cc1cc(N)ccc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000043319894 175005822 /nfs/dbraw/zinc/00/58/22/175005822.db2.gz SZVUKVMVYFEHJZ-UHFFFAOYSA-N -1 3 294.351 2.826 10 0 CFAEHM COc1ccc([O-])c(C(=O)Nc2ccc([C@H](C)O)cc2)c1 ZINC000043327868 175009733 /nfs/dbraw/zinc/00/97/33/175009733.db2.gz GIQRHSOYXISDFA-JTQLQIEISA-N -1 3 287.315 2.706 10 0 CFAEHM CC(C)C[C@@H](NCc1c(F)cccc1F)C(=O)[O-] ZINC000043431705 175043539 /nfs/dbraw/zinc/04/35/39/175043539.db2.gz VNAJEFLOCSTEBI-GFCCVEGCSA-N -1 3 257.280 2.554 10 0 CFAEHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N)cc2F)c1 ZINC000043473916 175054184 /nfs/dbraw/zinc/05/41/84/175054184.db2.gz GYEXUTRSZUSQFK-UHFFFAOYSA-N -1 3 280.324 2.517 10 0 CFAEHM Cn1ncc2c1CCC[C@H]2NCc1ccc([O-])c(Cl)c1 ZINC000043479265 175055294 /nfs/dbraw/zinc/05/52/94/175055294.db2.gz ICZPAZDVABLLNT-CYBMUJFWSA-N -1 3 291.782 2.946 10 0 CFAEHM CCCOc1ccc(CNC(C)C)c(O[C@H](C)C(=O)[O-])c1 ZINC000043625083 175081539 /nfs/dbraw/zinc/08/15/39/175081539.db2.gz SDJTXWWFQJASOX-GFCCVEGCSA-N -1 3 295.379 2.825 10 0 CFAEHM Cc1ncc(-c2cc(=O)[n-]c(-c3ccccc3)n2)s1 ZINC000044119294 175142039 /nfs/dbraw/zinc/14/20/39/175142039.db2.gz FDYOTZFCSNPXKL-UHFFFAOYSA-N -1 3 269.329 2.869 10 0 CFAEHM Nc1nc([N-]c2nc(Br)cs2)cs1 ZINC000044121526 175142770 /nfs/dbraw/zinc/14/27/70/175142770.db2.gz VUGZGNSYIHEWLK-UHFFFAOYSA-N -1 3 277.172 2.688 10 0 CFAEHM O=C([O-])[C@@H]1c2ccsc2CCN1Cc1cccs1 ZINC000044592334 175213678 /nfs/dbraw/zinc/21/36/78/175213678.db2.gz QAIPFDLBMJNJAB-LBPRGKRZSA-N -1 3 279.386 2.994 10 0 CFAEHM CC(C)CCOCCN1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592439 175213887 /nfs/dbraw/zinc/21/38/87/175213887.db2.gz QTBHEGPQWYVQEK-CQSZACIVSA-N -1 3 297.420 2.795 10 0 CFAEHM Cc1cc(C)c(C(=O)[O-])c(NC[C@H](C)N2CCCCC2)n1 ZINC000045011034 175289917 /nfs/dbraw/zinc/28/99/17/175289917.db2.gz HXMMTOASCWQAEM-ZDUSSCGKSA-N -1 3 291.395 2.683 10 0 CFAEHM Cc1cc(C)c(C(=O)[O-])c(NC[C@@H](C)N2CCCCC2)n1 ZINC000045011031 175290036 /nfs/dbraw/zinc/29/00/36/175290036.db2.gz HXMMTOASCWQAEM-CYBMUJFWSA-N -1 3 291.395 2.683 10 0 CFAEHM O=C(CN1CCC[C@H]1C1CCCC1)c1ccc([O-])cc1O ZINC000045085206 175303600 /nfs/dbraw/zinc/30/36/00/175303600.db2.gz SIAONJIXWQXQCK-HNNXBMFYSA-N -1 3 289.375 2.935 10 0 CFAEHM CC[C@H]1CCCCN1c1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000022452557 288201937 /nfs/dbraw/zinc/20/19/37/288201937.db2.gz XXEWBPFUXWVEGS-QMMMGPOBSA-N -1 3 275.274 2.558 10 0 CFAEHM O=c1c(-c2ccc(O)cc2)coc2cccc([O-])c12 ZINC000012428608 280389530 /nfs/dbraw/zinc/38/95/30/280389530.db2.gz GTKATHVTDOTYMV-UHFFFAOYSA-N -1 3 254.241 2.871 10 0 CFAEHM Cc1ccccc1[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000125554645 280644380 /nfs/dbraw/zinc/64/43/80/280644380.db2.gz MMHKSMHQEBUPGX-NSHDSACASA-N -1 3 271.316 2.897 10 0 CFAEHM C[C@H]1CCN(c2ccnc3ccccc32)C[C@H]1C(=O)[O-] ZINC000565950705 290336841 /nfs/dbraw/zinc/33/68/41/290336841.db2.gz IBERJDBEOISGMQ-WCQYABFASA-N -1 3 270.332 2.782 10 0 CFAEHM