smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N[C@@H]1CC[C@H](CNC(=O)C(F)C(F)(F)F)C1)c1ccoc1 ZINC001446005089 1091984300 /nfs/dbraw/zinc/98/43/00/1091984300.db2.gz UFICNYIKDCOBLT-JMJZKYOTSA-N 0 2 336.285 2.195 10 0 EEAELN O=C(N[C@@H]1CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1)c1ccoc1 ZINC001446005089 1091984305 /nfs/dbraw/zinc/98/43/05/1091984305.db2.gz UFICNYIKDCOBLT-JMJZKYOTSA-N 0 2 336.285 2.195 10 0 EEAELN CC(C)c1nnc(CN(C)C[C@@H](C)NC(=O)C(F)C(F)(F)F)o1 ZINC001439321627 1091997438 /nfs/dbraw/zinc/99/74/38/1091997438.db2.gz BGUPBBGIFCHOOU-SCZZXKLOSA-N 0 2 340.321 2.030 10 0 EEAELN CC(C)c1nnc(CN(C)C[C@@H](C)NC(=O)[C@H](F)C(F)(F)F)o1 ZINC001439321627 1091997445 /nfs/dbraw/zinc/99/74/45/1091997445.db2.gz BGUPBBGIFCHOOU-SCZZXKLOSA-N 0 2 340.321 2.030 10 0 EEAELN C[C@@H]1[C@@H](NC(=O)CC(C)(F)F)CCN1C(=O)C(F)C(F)(F)F ZINC001446165882 1092219305 /nfs/dbraw/zinc/21/93/05/1092219305.db2.gz 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CC[C@@H](C)C[C@H](CO)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632499717 470238736 /nfs/dbraw/zinc/23/87/36/470238736.db2.gz PPSVGEGGTNKAQX-PSASIEDQSA-N 0 2 336.841 2.281 10 0 EEAELN Cc1cn2c([nH+]1)CN(c1ncnc3sc(C(=O)[O-])c(C)c31)CC2 ZINC000649394367 470572599 /nfs/dbraw/zinc/57/25/99/470572599.db2.gz SZROSEATPXGMNS-UHFFFAOYSA-N 0 2 329.385 2.223 10 0 EEAELN CCCCNc1cc(N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)nc(N)[nH+]1 ZINC000649403667 470576271 /nfs/dbraw/zinc/57/62/71/470576271.db2.gz NIXDDTSWQHHYGH-UONOGXRCSA-N 0 2 341.415 2.248 10 0 EEAELN CCCCNc1cc(N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)[nH+]c(N)n1 ZINC000649403667 470576277 /nfs/dbraw/zinc/57/62/77/470576277.db2.gz NIXDDTSWQHHYGH-UONOGXRCSA-N 0 2 341.415 2.248 10 0 EEAELN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc(C)cnc2C)s1 ZINC000650490222 470891616 /nfs/dbraw/zinc/89/16/16/470891616.db2.gz MQJOQOSIOOGMQA-UHFFFAOYSA-N 0 2 340.430 2.223 10 0 EEAELN Cc1[nH]nc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)c1[O-] ZINC000644809715 471047738 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684338136 /nfs/dbraw/zinc/33/81/36/684338136.db2.gz RCOGMUDGYILUAO-LLVKDONJSA-N 0 2 325.372 2.380 10 0 EEAELN CCN(CCCNC(=O)C(F)C(F)(F)F)C(=O)c1cc(C)co1 ZINC001720608844 1178764196 /nfs/dbraw/zinc/76/41/96/1178764196.db2.gz JMDNSPYIFFQXIY-NSHDSACASA-N 0 2 338.301 2.457 10 0 EEAELN CCN(CCCNC(=O)[C@H](F)C(F)(F)F)C(=O)c1cc(C)co1 ZINC001720608844 1178764200 /nfs/dbraw/zinc/76/42/00/1178764200.db2.gz JMDNSPYIFFQXIY-NSHDSACASA-N 0 2 338.301 2.457 10 0 EEAELN Cc1nc(CN(C)C[C@H](C)NC(=O)C(F)C(F)(F)F)c(C)o1 ZINC001483341056 1190372829 /nfs/dbraw/zinc/37/28/29/1190372829.db2.gz YPJVPDRTRMCPJR-WRWORJQWSA-N 0 2 325.306 2.128 10 0 EEAELN O=C(NCC[C@H]1CCCCN1C(=O)[C@@H]1CCCO1)C(C1CC1)C1CC1 ZINC001409809283 1190638263 /nfs/dbraw/zinc/63/82/63/1190638263.db2.gz SHFQECBWTPSKDO-SJORKVTESA-N 0 2 348.487 2.489 10 0 EEAELN CC(C)(C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccon1)c1c[nH]cn1 ZINC001409826437 1190658565 /nfs/dbraw/zinc/65/85/65/1190658565.db2.gz BMWZZVRONPYONP-HNNXBMFYSA-N 0 2 345.447 2.236 10 0 EEAELN 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349.328 2.144 10 0 EEAELN O=C(NC[C@H]1CCN1Cc1nc2c(o1)CCCC2)[C@H](F)C(F)(F)F ZINC001483653967 1190711274 /nfs/dbraw/zinc/71/12/74/1190711274.db2.gz WDZRSLYRYOYHKV-RNCFNFMXSA-N 0 2 349.328 2.144 10 0 EEAELN CCCC[C@@H](CNC(=O)CSC)NC(=O)C(F)C(F)(F)F ZINC001487108584 1197214564 /nfs/dbraw/zinc/21/45/64/1197214564.db2.gz XSMUFNARVBYXBI-WCBMZHEXSA-N 0 2 332.363 2.041 10 0 EEAELN CCCC[C@@H](CNC(=O)CSC)NC(=O)[C@@H](F)C(F)(F)F ZINC001487108584 1197214566 /nfs/dbraw/zinc/21/45/66/1197214566.db2.gz XSMUFNARVBYXBI-WCBMZHEXSA-N 0 2 332.363 2.041 10 0 EEAELN CN(C(=O)C(F)C(F)(F)F)C1CN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001410895751 1198552059 /nfs/dbraw/zinc/55/20/59/1198552059.db2.gz XXZKWTZHBGJFMD-WDEREUQCSA-N 0 2 338.345 2.382 10 0 EEAELN CN(C(=O)[C@@H](F)C(F)(F)F)C1CN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001410895751 1198552061 /nfs/dbraw/zinc/55/20/61/1198552061.db2.gz XXZKWTZHBGJFMD-WDEREUQCSA-N 0 2 338.345 2.382 10 0 EEAELN O=C(Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)C1=COCC1 ZINC000870769225 1200866536 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/nfs/dbraw/zinc/84/93/06/462849306.db2.gz ULJBHUTXEDSQKY-UHFFFAOYSA-N 0 2 334.322 2.139 10 0 EEAELN CCCNC(=O)[C@H]1CCCN(C(=O)c2c(O)cc(F)cc2F)C1 ZINC000051442822 463036235 /nfs/dbraw/zinc/03/62/35/463036235.db2.gz PLTFRMYCRFJXFQ-JTQLQIEISA-N 0 2 326.343 2.049 10 0 EEAELN CCc1cc2c(ncnc2N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)s1 ZINC000553247545 468357334 /nfs/dbraw/zinc/35/73/34/468357334.db2.gz FIUDJYMCMGAGRC-SECBINFHSA-N 0 2 330.417 2.461 10 0 EEAELN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCOC3(CCCC3)C1)c2=O ZINC000150956650 463457726 /nfs/dbraw/zinc/45/77/26/463457726.db2.gz SRMLBJSAHTZSTF-UHFFFAOYSA-N 0 2 327.384 2.429 10 0 EEAELN Cc1c(NS(=O)(=O)c2cccc(C(N)=O)c2)cnn1C1CCCC1 ZINC000194230620 463818148 /nfs/dbraw/zinc/81/81/48/463818148.db2.gz LUXPCNAGJMLVIC-UHFFFAOYSA-N 0 2 348.428 2.206 10 0 EEAELN CC(C)Oc1ccc(NS(=O)(=O)c2ccc3c(c2)COC3)nn1 ZINC000579671318 468390858 /nfs/dbraw/zinc/39/08/58/468390858.db2.gz CJNKIDROCHKEJW-UHFFFAOYSA-N 0 2 335.385 2.095 10 0 EEAELN COc1cc(OC)cc(S(=O)(=O)Nc2cn(C)nc2C(C)C)c1 ZINC000281188161 464364131 /nfs/dbraw/zinc/36/41/31/464364131.db2.gz RCILEWXIKVWWQW-UHFFFAOYSA-N 0 2 339.417 2.362 10 0 EEAELN CC(C)c1n[nH]cc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000188948004 464402262 /nfs/dbraw/zinc/40/22/62/464402262.db2.gz BANUXSLYSATVRW-UHFFFAOYSA-N 0 2 331.401 2.103 10 0 EEAELN CN(C[C@@H]1CCOC1)C(=O)c1cc(Br)c(F)cc1O ZINC000295315152 464786590 /nfs/dbraw/zinc/78/65/90/464786590.db2.gz OLDXCMVSPYGGFB-QMMMGPOBSA-N 0 2 332.169 2.402 10 0 EEAELN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(F)c(F)c(O)c1F ZINC000249439356 464875888 /nfs/dbraw/zinc/87/58/88/464875888.db2.gz SRFCRUAICASVHR-UPFKWVMWSA-N 0 2 343.301 2.223 10 0 EEAELN CO[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1ccc(O)cc1 ZINC000353075489 465617036 /nfs/dbraw/zinc/61/70/36/465617036.db2.gz FDZUVZZPSXVWAX-CQSZACIVSA-N 0 2 341.323 2.062 10 0 EEAELN CC(C)Oc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cn1 ZINC000362357275 465677961 /nfs/dbraw/zinc/67/79/61/465677961.db2.gz DUOBPOUESQDWMQ-UHFFFAOYSA-N 0 2 330.797 2.057 10 0 EEAELN CC(=O)Nc1cccc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c1 ZINC000354201104 466370148 /nfs/dbraw/zinc/37/01/48/466370148.db2.gz SHJKWFBYHTUTLW-UHFFFAOYSA-N 0 2 338.323 2.241 10 0 EEAELN COc1ccc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)cn1 ZINC000373423586 466798820 /nfs/dbraw/zinc/79/88/20/466798820.db2.gz UERCZFAFUCYESE-UHFFFAOYSA-N 0 2 347.425 2.414 10 0 EEAELN CCn1nccc1S(=O)(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000376883048 466953982 /nfs/dbraw/zinc/95/39/82/466953982.db2.gz XNJSEYYZKLKGEA-UHFFFAOYSA-N 0 2 335.364 2.029 10 0 EEAELN Cc1ccc2c(n1)[nH]cc(C(=O)N1CC[C@]3(C1)CCCOC3)c2=O ZINC000377006548 466996395 /nfs/dbraw/zinc/99/63/95/466996395.db2.gz JZUPDWNOOZFIHC-SFHVURJKSA-N 0 2 327.384 2.287 10 0 EEAELN Cc1ccc2[nH]c(NS(=O)(=O)c3ccc4c(c3)OCO4)nc2c1 ZINC000427630007 467168352 /nfs/dbraw/zinc/16/83/52/467168352.db2.gz QBBWISNVUIVAAN-UHFFFAOYSA-N 0 2 331.353 2.401 10 0 EEAELN Cc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)OCO4)[nH]c2c1 ZINC000427630007 467168354 /nfs/dbraw/zinc/16/83/54/467168354.db2.gz QBBWISNVUIVAAN-UHFFFAOYSA-N 0 2 331.353 2.401 10 0 EEAELN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)[C@H](F)C(F)(F)F ZINC000378034313 467184725 /nfs/dbraw/zinc/18/47/25/467184725.db2.gz GBSSWXLISKWHLC-CBAPKCEASA-N 0 2 325.693 2.330 10 0 EEAELN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)C(F)C(F)(F)F ZINC000378034313 467184726 /nfs/dbraw/zinc/18/47/26/467184726.db2.gz GBSSWXLISKWHLC-CBAPKCEASA-N 0 2 325.693 2.330 10 0 EEAELN CCCN(CC(=O)OC)C(=O)c1cc(Br)c(F)cc1O ZINC000448759062 467600395 /nfs/dbraw/zinc/60/03/95/467600395.db2.gz GZIJBDNYWDAFQQ-UHFFFAOYSA-N 0 2 348.168 2.319 10 0 EEAELN CO[C@@H]1COCC[C@H]1CC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000448947316 467607284 /nfs/dbraw/zinc/60/72/84/467607284.db2.gz WIKNLGNMFQWKLB-GXSJLCMTSA-N 0 2 339.442 2.069 10 0 EEAELN CC1(C)OC[C@@H]2C[C@@]21NC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000528924449 467779563 /nfs/dbraw/zinc/77/95/63/467779563.db2.gz NNYULAFGVIXGHO-MEDUHNTESA-N 0 2 330.413 2.316 10 0 EEAELN Cc1cc(S(=O)(=O)NC(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c(C)s1 ZINC000528937871 467781916 /nfs/dbraw/zinc/78/19/16/467781916.db2.gz FRXBBHHMKQSKRX-YVNDNENWSA-N 0 2 331.459 2.229 10 0 EEAELN CN(C)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)c1 ZINC000492975704 467808535 /nfs/dbraw/zinc/80/85/35/467808535.db2.gz GWFATKWWQBNIBX-UHFFFAOYSA-N 0 2 334.323 2.295 10 0 EEAELN COc1ccc(N2CC(=O)C(C(=O)NCC[C@@H]3CCCOC3)=N2)cc1 ZINC000529603989 467885437 /nfs/dbraw/zinc/88/54/37/467885437.db2.gz NESVSKCQEOFAJR-ZDUSSCGKSA-N 0 2 345.399 2.133 10 0 EEAELN CC1(c2nc(=NC(=O)c3ccnc(OCC(F)F)c3)s[nH]2)CC1 ZINC000529699023 467897109 /nfs/dbraw/zinc/89/71/09/467897109.db2.gz PZEFNKPIHGOSCK-UHFFFAOYSA-N 0 2 340.355 2.303 10 0 EEAELN CCCOc1cncc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000530157454 467955827 /nfs/dbraw/zinc/95/58/27/467955827.db2.gz SCRBXKNXRDQRGT-UHFFFAOYSA-N 0 2 346.359 2.133 10 0 EEAELN CCn1nccc1S(=O)(=O)Nc1cc(-c2ccccc2C)n[nH]1 ZINC000471932795 467982062 /nfs/dbraw/zinc/98/20/62/467982062.db2.gz PPDJOALLCBIVLU-UHFFFAOYSA-N 0 2 331.401 2.402 10 0 EEAELN C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000594310335 468549188 /nfs/dbraw/zinc/54/91/88/468549188.db2.gz BKYWFXZZOIMIRF-BRWVUGGUSA-N 0 2 333.480 2.493 10 0 EEAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc2n(n1)CCCC2 ZINC000582885845 468609586 /nfs/dbraw/zinc/60/95/86/468609586.db2.gz DKRLKGGTQPOZGF-UHFFFAOYSA-N 0 2 331.426 2.474 10 0 EEAELN CO[C@@H](CS(=O)(=O)Nc1cc(F)c(F)cc1NC(C)=O)C1CC1 ZINC000572158515 468894990 /nfs/dbraw/zinc/89/49/90/468894990.db2.gz WUUWSCMJRFWTEC-AWEZNQCLSA-N 0 2 348.371 2.090 10 0 EEAELN Cc1cnc(OC(C)C)c(NS(=O)(=O)c2cnc3n2CCC3)c1 ZINC000562541358 468985107 /nfs/dbraw/zinc/98/51/07/468985107.db2.gz VUYBNQNEERGLHK-UHFFFAOYSA-N 0 2 336.417 2.121 10 0 EEAELN CCc1cc(N2C[C@@H](OC)C[C@H]2CC(=O)[O-])nc(-c2ccncc2)[nH+]1 ZINC000563214231 469202146 /nfs/dbraw/zinc/20/21/46/469202146.db2.gz RZMBWXZPYJFEGC-GJZGRUSLSA-N 0 2 342.399 2.169 10 0 EEAELN O=C(c1cccc(-c2nc(=O)o[nH]2)c1)N1CCOCC12CCCCC2 ZINC000615984890 469347695 /nfs/dbraw/zinc/34/76/95/469347695.db2.gz QKIIAMHIKPSJMV-UHFFFAOYSA-N 0 2 343.383 2.205 10 0 EEAELN C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000626104369 469502443 /nfs/dbraw/zinc/50/24/43/469502443.db2.gz OOWOOACFQVKCJQ-LPHOPBHVSA-N 0 2 331.460 2.188 10 0 EEAELN CS(=O)(=O)CC1(CCNC(=O)c2cc(F)c(O)c(Cl)c2)CC1 ZINC000617180754 469615674 /nfs/dbraw/zinc/61/56/74/469615674.db2.gz HLYFFAJUXYZDBB-UHFFFAOYSA-N 0 2 349.811 2.129 10 0 EEAELN C[C@@]1(C2CC2)CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CCO1 ZINC000617395533 469668785 /nfs/dbraw/zinc/66/87/85/469668785.db2.gz ZEWNNTTXKCQDQC-SFHVURJKSA-N 0 2 345.374 2.358 10 0 EEAELN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cnoc1 ZINC000609459488 469930343 /nfs/dbraw/zinc/93/03/43/469930343.db2.gz QYUBASHGCCIOLA-UHFFFAOYSA-N 0 2 338.366 2.477 10 0 EEAELN O=C(C[C@]12CCCC[C@H]1C2(F)F)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000614518905 469960181 /nfs/dbraw/zinc/96/01/81/469960181.db2.gz OXWMMADRHGYKBT-UEKVPHQBSA-N 0 2 340.374 2.432 10 0 EEAELN O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000630894508 470021900 /nfs/dbraw/zinc/02/19/00/470021900.db2.gz AVALGFZVTKZENX-UONOGXRCSA-N 0 2 329.356 2.031 10 0 EEAELN Cc1nc(C(C)C)oc1CNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000622062502 470156752 /nfs/dbraw/zinc/15/67/52/470156752.db2.gz KCSXJWSAZUXNRO-UHFFFAOYSA-N 0 2 342.355 2.380 10 0 EEAELN CC[C@@H]1C[C@@H](NS(=O)(=O)c2onc(C3CC3)c2Cl)CCO1 ZINC000632474917 470235292 /nfs/dbraw/zinc/23/52/92/470235292.db2.gz OFAHITSTOFVYNL-VHSXEESVSA-N 0 2 334.825 2.441 10 0 EEAELN O=C(c1c(O)cc(F)cc1F)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000643316293 470662317 /nfs/dbraw/zinc/66/23/17/470662317.db2.gz OYNDSFYIYBHDLK-GOSISDBHSA-N 0 2 333.334 2.447 10 0 EEAELN C[C@@H](c1ccccc1)[C@@H](NC(=O)c1c(O)cc(F)cc1F)C(N)=O ZINC000646553681 470675498 /nfs/dbraw/zinc/67/54/98/470675498.db2.gz YHJIZFRDESYEMW-BJOHPYRUSA-N 0 2 334.322 2.058 10 0 EEAELN CC[C@@](C)(NS(=O)(=O)C[C@H](OC)C1CCOCC1)C(F)(F)F ZINC000647273530 470873772 /nfs/dbraw/zinc/87/37/72/470873772.db2.gz VHCHMHMEYZWCOQ-NWDGAFQWSA-N 0 2 347.399 2.078 10 0 EEAELN COCc1csc(NS(=O)(=O)c2cccc3c2OCCC3)n1 ZINC000650453560 470883088 /nfs/dbraw/zinc/88/30/88/470883088.db2.gz PYWFYRFTLRXCOP-UHFFFAOYSA-N 0 2 340.426 2.415 10 0 EEAELN CC(C)n1cnc(NS(=O)(=O)CCc2ccc(Cl)cc2)n1 ZINC000650486860 470891437 /nfs/dbraw/zinc/89/14/37/470891437.db2.gz YCIPEPBEQZTVPB-UHFFFAOYSA-N 0 2 328.825 2.497 10 0 EEAELN CC(C)n1cnc(NS(=O)(=O)c2ccc(Br)cc2)n1 ZINC000650488278 470891784 /nfs/dbraw/zinc/89/17/84/470891784.db2.gz CIPYASRQQHHCRG-UHFFFAOYSA-N 0 2 345.222 2.422 10 0 EEAELN CNC(=O)c1ccc(=NC(=O)c2ccc(C(C)C)c(Cl)c2)[nH]n1 ZINC000650818421 470974996 /nfs/dbraw/zinc/97/49/96/470974996.db2.gz KNWVHBHLXABAKY-UHFFFAOYSA-N 0 2 332.791 2.287 10 0 EEAELN CNC(=O)[C@@H](N=c1nc(-c2cc(F)cc(F)c2)[nH]s1)C(C)C ZINC000645196551 471171763 /nfs/dbraw/zinc/17/17/63/471171763.db2.gz RQPFOJUNWNPATO-NSHDSACASA-N 0 2 326.372 2.088 10 0 EEAELN C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906097 471529601 /nfs/dbraw/zinc/52/96/01/471529601.db2.gz JHXDLKPOGPHLEL-VHDGCEQUSA-N 0 2 348.447 2.365 10 0 EEAELN C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@@](C)(C(F)F)C2)cc1 ZINC000668825639 472286332 /nfs/dbraw/zinc/28/63/32/472286332.db2.gz PNFGZLYUEMECOD-QGZVFWFLSA-N 0 2 328.403 2.483 10 0 EEAELN Cn1cc(S(=O)(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)cn1 ZINC000663261707 472427976 /nfs/dbraw/zinc/42/79/76/472427976.db2.gz MOGJAVLNVGUPNM-GFCCVEGCSA-N 0 2 329.328 2.007 10 0 EEAELN Cc1cc(=NC(=O)N2CCC3(CC2)C(F)(F)C3(F)F)[nH]nc1C ZINC000650039849 485516927 /nfs/dbraw/zinc/51/69/27/485516927.db2.gz ACLWSLGDMINUHW-UHFFFAOYSA-N 0 2 332.301 2.414 10 0 EEAELN COC(=O)c1cccc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)c1 ZINC000171342251 534282344 /nfs/dbraw/zinc/28/23/44/534282344.db2.gz YHSJQXSNIBWYIO-NSHDSACASA-N 0 2 349.412 2.442 10 0 EEAELN CCc1noc(C)c1CNC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000452138336 535883492 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