smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1O ZINC001436025945 937273046 /nfs/dbraw/zinc/27/30/46/937273046.db2.gz ROXSWVHWCSSFQZ-NXEZZACHSA-N 0 2 267.756 3.212 20 0 CGADLN O=C(Cc1ccccc1Cl)NOc1ccccc1F ZINC001455475675 937417645 /nfs/dbraw/zinc/41/76/45/937417645.db2.gz KXBWTACRAIOTFZ-UHFFFAOYSA-N 0 2 279.698 3.132 20 0 CGADLN O=C(CSCc1cccs1)NOC1CCCCC1 ZINC001320472446 934052360 /nfs/dbraw/zinc/05/23/60/934052360.db2.gz LPLKWJWOAANUHQ-UHFFFAOYSA-N 0 2 285.434 3.362 20 0 CGADLN O=C(c1c(O)cc(F)cc1F)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001324579530 934527255 /nfs/dbraw/zinc/52/72/55/934527255.db2.gz FGLVTDGOBQOOJK-WDEREUQCSA-N 0 2 295.329 3.323 20 0 CGADLN O=C(N[C@@H]1CCC[C@@H](F)C1)c1cccc(Cl)c1O ZINC001326386224 934975670 /nfs/dbraw/zinc/97/56/70/934975670.db2.gz TYOAQKRNKXKPHB-RKDXNWHRSA-N 0 2 271.719 3.056 20 0 CGADLN CCCOc1cccc(CSc2nc(C)n[nH]2)c1 ZINC001326407758 934977182 /nfs/dbraw/zinc/97/71/82/934977182.db2.gz XBUIRFYJXCPQKK-UHFFFAOYSA-N 0 2 263.366 3.194 20 0 CGADLN CC[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1O ZINC001525916542 938052527 /nfs/dbraw/zinc/05/25/27/938052527.db2.gz ONLSQZKSUJEXAZ-BXKDBHETSA-N 0 2 267.756 3.354 20 0 CGADLN CC1(C)CC[C@@H](NC(=O)c2cccc(Cl)c2O)C1 ZINC001534101089 938094293 /nfs/dbraw/zinc/09/42/93/938094293.db2.gz RVWVHOUQGDMAGB-SECBINFHSA-N 0 2 267.756 3.354 20 0 CGADLN Cc1cc(NCCCCCC(=O)[O-])nc(C2CCC2)[nH+]1 ZINC001600280809 970792762 /nfs/dbraw/zinc/79/27/62/970792762.db2.gz AYIMLRNHRPIBMF-UHFFFAOYSA-N 0 2 277.368 3.109 20 0 CGADLN CC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccccc1C(=O)[O-])C2 ZINC000058012020 957555941 /nfs/dbraw/zinc/55/59/41/957555941.db2.gz APILYDCKMJTLBP-UHFFFAOYSA-N 0 2 295.338 3.103 20 0 CGADLN CC(=O)c1ccc2c(c1)C[N@H+](Cc1ccccc1C(=O)[O-])C2 ZINC000058012020 957555945 /nfs/dbraw/zinc/55/59/45/957555945.db2.gz APILYDCKMJTLBP-UHFFFAOYSA-N 0 2 295.338 3.103 20 0 CGADLN O=C([O-])c1ccc(NCc2ccc(C(F)(F)F)cc2)[nH+]c1 ZINC000061627295 957582990 /nfs/dbraw/zinc/58/29/90/957582990.db2.gz MSUJIPCKXUEQPU-UHFFFAOYSA-N 0 2 296.248 3.411 20 0 CGADLN Cc1cccc([C@H](C)NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC001566764225 961008886 /nfs/dbraw/zinc/00/88/86/961008886.db2.gz SEVJZQHUWCDHSL-JTQLQIEISA-N 0 2 291.297 3.470 20 0 CGADLN Cc1ccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)c(C)[nH+]1 ZINC000315333269 963884225 /nfs/dbraw/zinc/88/42/25/963884225.db2.gz NDHHLUMETQACOP-VIFPVBQESA-N 0 2 277.349 3.026 20 0 CGADLN C[C@H]([NH2+]Cc1oncc1C(=O)[O-])c1ccc(F)cc1Cl ZINC001599901690 984843044 /nfs/dbraw/zinc/84/30/44/984843044.db2.gz OVNRHXGCJSGHAV-ZETCQYMHSA-N 0 2 298.701 3.016 20 0 CGADLN CCSCC[C@H](C)Nc1ccc(C)c(C(=O)[O-])[nH+]1 ZINC001597261286 987284439 /nfs/dbraw/zinc/28/44/39/987284439.db2.gz NVJSWVZFYMOZDV-JTQLQIEISA-N 0 2 268.382 3.032 20 0 CGADLN CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C(=O)[O-])co2)cc1 ZINC001597562767 988310460 /nfs/dbraw/zinc/31/04/60/988310460.db2.gz 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/nfs/dbraw/zinc/53/09/73/351530973.db2.gz LLPSSRCSBNVSLU-YUMQZZPRSA-N 0 2 266.703 3.228 20 0 CGADLN CCn1cc(-c2cc(=O)n(-c3ccc(C(C)C)cc3)[nH]2)cn1 ZINC000634596873 351533819 /nfs/dbraw/zinc/53/38/19/351533819.db2.gz UKIZDPXCFHHKKE-UHFFFAOYSA-N 0 2 296.374 3.167 20 0 CGADLN CC1=NN(c2ccc(Br)c(C)c2)C(=O)[C@@H]1C ZINC000634599467 351535621 /nfs/dbraw/zinc/53/56/21/351535621.db2.gz JDOJBKYHJLWTAJ-MRVPVSSYSA-N 0 2 281.153 3.116 20 0 CGADLN COc1ccc(CCn2[nH]c3c(c2=O)CCCCC3)cc1 ZINC000634612527 351542164 /nfs/dbraw/zinc/54/21/64/351542164.db2.gz AWCFJVTXGMZVGD-HNNXBMFYSA-N 0 2 286.375 3.016 20 0 CGADLN CC(C)(C)SCCCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000157726784 188335748 /nfs/dbraw/zinc/33/57/48/188335748.db2.gz UGYMXGCGAFEROW-UHFFFAOYSA-N 0 2 292.408 3.208 20 0 CGADLN CCNc1ccc(Cl)cc1NC(=O)CCOCC ZINC000272489323 191747329 /nfs/dbraw/zinc/74/73/29/191747329.db2.gz MYCLWOUOXMYVGQ-UHFFFAOYSA-N 0 2 270.760 3.137 20 0 CGADLN O=C([O-])[C@H]([NH2+]Cc1ccc(Cl)cc1F)c1cccs1 ZINC000426786630 236314627 /nfs/dbraw/zinc/31/46/27/236314627.db2.gz WZACJBNQQBZSRU-GFCCVEGCSA-N 0 2 299.754 3.456 20 0 CGADLN COCCc1nsc(N[C@H]2CCC[C@H]2CCC(C)C)n1 ZINC000426904189 236319911 /nfs/dbraw/zinc/31/99/11/236319911.db2.gz XGOLLVRVZKHDCD-STQMWFEESA-N 0 2 297.468 3.166 20 0 CGADLN CC1(C)CN(C(=O)c2cc(F)c(O)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000294741221 199161244 /nfs/dbraw/zinc/16/12/44/199161244.db2.gz MDMYXWFUKJDKBD-GXFFZTMASA-N 0 2 295.329 3.321 20 0 CGADLN CCCC1(CNC(=O)c2cc(F)c(F)c(O)c2F)CC1 ZINC000183216249 189350182 /nfs/dbraw/zinc/35/01/82/189350182.db2.gz DGARGAUPIMCWPH-UHFFFAOYSA-N 0 2 287.281 3.120 20 0 CGADLN C[C@@]1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C[C@@H]1F ZINC000335652966 212370473 /nfs/dbraw/zinc/37/04/73/212370473.db2.gz OUZUMQIIZGAGPM-GZMMTYOYSA-N 0 2 278.110 3.386 20 0 CGADLN FC1(F)CCC[C@H]1CNc1nc(-c2ccccc2)ns1 ZINC000450734720 240060290 /nfs/dbraw/zinc/06/02/90/240060290.db2.gz DCQUTVSYNRHUAS-NSHDSACASA-N 0 2 295.358 3.474 20 0 CGADLN FC1(F)CCC[C@@H]1CNc1nc(-c2ccccc2)ns1 ZINC000450734719 240060737 /nfs/dbraw/zinc/06/07/37/240060737.db2.gz DCQUTVSYNRHUAS-LLVKDONJSA-N 0 2 295.358 3.474 20 0 CGADLN [NH2+]=c1[n-]nc(SCC/C=C\c2ccccc2)n1C1CC1 ZINC000450794634 240089839 /nfs/dbraw/zinc/08/98/39/240089839.db2.gz RXEBIVWPMGCUPP-YWEYNIOJSA-N 0 2 286.404 3.221 20 0 CGADLN O=C([O-])c1ccc[nH+]c1NCc1ccc(Cl)cc1 ZINC000003608893 368515354 /nfs/dbraw/zinc/51/53/54/368515354.db2.gz DOLGQLPAEFRJLV-UHFFFAOYSA-N 0 2 262.696 3.045 20 0 CGADLN CC(=O)N1CCC(C(=O)Nc2ccccc2C(C)C)CC1 ZINC000045670943 369283823 /nfs/dbraw/zinc/28/38/23/369283823.db2.gz BJUCSQZADBFKQJ-UHFFFAOYSA-N 0 2 288.391 3.007 20 0 CGADLN CC(C)[C@H](C(=O)NO[C@H]1CCCCO1)c1ccccc1 ZINC000079864970 369979722 /nfs/dbraw/zinc/97/97/22/369979722.db2.gz CHSZGXCLJOEKCU-GJZGRUSLSA-N 0 2 277.364 3.001 20 0 CGADLN Cc1cc(S(=O)(=O)Nc2cc(C)ccc2O)c(C)s1 ZINC000132697550 371195254 /nfs/dbraw/zinc/19/52/54/371195254.db2.gz IZVAWSOLBOEAOQ-UHFFFAOYSA-N 0 2 297.401 3.180 20 0 CGADLN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCCC1(O)CCC1 ZINC000331933515 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372053327 /nfs/dbraw/zinc/05/33/27/372053327.db2.gz DZWUABKQIGTLPS-JTQLQIEISA-N 0 2 297.757 3.447 20 0 CGADLN Cc1cscc1NS(=O)(=O)c1cc(F)ccc1F ZINC000161655537 372343718 /nfs/dbraw/zinc/34/37/18/372343718.db2.gz VCKDHOTWMRTOKX-UHFFFAOYSA-N 0 2 289.328 3.136 20 0 CGADLN Cc1cccc(CN(C)C(=O)[C@@H](F)C(F)(F)F)c1C ZINC000293559664 372411831 /nfs/dbraw/zinc/41/18/31/372411831.db2.gz DDNMFTBXNOWKKF-LLVKDONJSA-N 0 2 277.261 3.162 20 0 CGADLN Cc1cccc(CN(C)C(=O)C(F)C(F)(F)F)c1C ZINC000293559664 372411837 /nfs/dbraw/zinc/41/18/37/372411837.db2.gz DDNMFTBXNOWKKF-LLVKDONJSA-N 0 2 277.261 3.162 20 0 CGADLN CC(C)ONC(=O)CSCc1cccc(Cl)c1 ZINC000293866937 372506565 /nfs/dbraw/zinc/50/65/65/372506565.db2.gz DRLGXXRVVUNVHZ-UHFFFAOYSA-N 0 2 273.785 3.029 20 0 CGADLN C[C@H]1c2ccccc2CN1C(=O)c1cc(F)c(O)c(F)c1 ZINC000436973252 372842689 /nfs/dbraw/zinc/84/26/89/372842689.db2.gz XDHTVWYHJAQVPT-VIFPVBQESA-N 0 2 289.281 3.387 20 0 CGADLN Cn1ccc2ccc(NS(=O)(=O)c3cccs3)cc21 ZINC000172515476 372981489 /nfs/dbraw/zinc/98/14/89/372981489.db2.gz BFRGZGWCPATHQJ-UHFFFAOYSA-N 0 2 292.385 3.041 20 0 CGADLN CC[C@H](C)[C@@H](C)NC(=O)N=c1ccc(-c2ccccc2)n[nH]1 ZINC000448350378 373567688 /nfs/dbraw/zinc/56/76/88/373567688.db2.gz GXKIIKLTPRPNES-QWHCGFSZSA-N 0 2 298.390 3.122 20 0 CGADLN CCc1ccccc1CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000180053733 373959519 /nfs/dbraw/zinc/95/95/19/373959519.db2.gz JZKDTJDBABFGDL-UHFFFAOYSA-N 0 2 291.297 3.163 20 0 CGADLN CC[C@H](NC(=O)c1cc(F)c(O)c(F)c1)c1nccs1 ZINC000180044636 373959719 /nfs/dbraw/zinc/95/97/19/373959719.db2.gz RXONSDPKKNNUKJ-JTQLQIEISA-N 0 2 298.314 3.008 20 0 CGADLN C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc(F)c(O)c(F)c1 ZINC000180065086 373961415 /nfs/dbraw/zinc/96/14/15/373961415.db2.gz XRXYIACXVLRHFX-VHSXEESVSA-N 0 2 283.318 3.321 20 0 CGADLN CC(=O)c1nc(N[C@@H](C)c2nc(C)cs2)sc1C ZINC000450309294 374053209 /nfs/dbraw/zinc/05/32/09/374053209.db2.gz RZYKSMPJFTWNRM-ZETCQYMHSA-N 0 2 281.406 3.014 20 0 CGADLN Cc1cc(S(=O)(=O)Nc2cccc3[nH]ccc32)c(C)o1 ZINC000182791792 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CGADLN O=C(NOCC1CC1)C1(c2ccc(F)cc2F)CCCC1 ZINC000817358632 632131574 /nfs/dbraw/zinc/13/15/74/632131574.db2.gz WFDIMDHDOCOJHN-UHFFFAOYSA-N 0 2 295.329 3.234 20 0 CGADLN O=C(NOCCC1CC1)C1(c2ccc(F)cc2)CCC1 ZINC000817404010 632138761 /nfs/dbraw/zinc/13/87/61/632138761.db2.gz VAWAQLHCDIKFJU-UHFFFAOYSA-N 0 2 277.339 3.095 20 0 CGADLN O=C(CSc1ccc(Cl)cc1)NOCCC1CC1 ZINC000817442141 632159366 /nfs/dbraw/zinc/15/93/66/632159366.db2.gz VNAPYZQLSYHDEO-UHFFFAOYSA-N 0 2 285.796 3.280 20 0 CGADLN O=C(NCCC[C@H]1C=CCC1)c1cc(F)c(O)c(F)c1 ZINC000834328032 634143500 /nfs/dbraw/zinc/14/35/00/634143500.db2.gz YTXIGYWEHPCPKI-JTQLQIEISA-N 0 2 281.302 3.147 20 0 CGADLN CC(C)(C)C[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000837165946 634865173 /nfs/dbraw/zinc/86/51/73/634865173.db2.gz ICVJKQCAJJWDRD-DTWKUNHWSA-N 0 2 269.282 3.172 20 0 CGADLN CC(C)(C)C[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000837165946 634865174 /nfs/dbraw/zinc/86/51/74/634865174.db2.gz ICVJKQCAJJWDRD-DTWKUNHWSA-N 0 2 269.282 3.172 20 0 CGADLN CCCCCC[C@H](C)CC(=O)NCCc1n[nH]c(=S)o1 ZINC000841427504 635175864 /nfs/dbraw/zinc/17/58/64/635175864.db2.gz XBWBAPVOONTXOS-NSHDSACASA-N 0 2 299.440 3.014 20 0 CGADLN CC(C)[C@H]1N(C(=O)C(F)C(F)(F)F)CC12CC=CC2 ZINC000844095301 635820708 /nfs/dbraw/zinc/82/07/08/635820708.db2.gz IZPKSHUVWPLYKP-NXEZZACHSA-N 0 2 279.277 3.090 20 0 CGADLN CC(C)[C@H]1N(C(=O)[C@@H](F)C(F)(F)F)CC12CC=CC2 ZINC000844095301 635820716 /nfs/dbraw/zinc/82/07/16/635820716.db2.gz IZPKSHUVWPLYKP-NXEZZACHSA-N 0 2 279.277 3.090 20 0 CGADLN CC[C@@H](NC(=O)C(F)C(F)(F)F)c1ccccc1F ZINC000847146465 636352799 /nfs/dbraw/zinc/35/27/99/636352799.db2.gz YSBCGDDADCBCKQ-NXEZZACHSA-N 0 2 281.224 3.293 20 0 CGADLN CC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccccc1F ZINC000847146465 636352804 /nfs/dbraw/zinc/35/28/04/636352804.db2.gz YSBCGDDADCBCKQ-NXEZZACHSA-N 0 2 281.224 3.293 20 0 CGADLN Cc1ccccc1S(=O)(=O)Nc1ncsc1C1CC1 ZINC000882771608 636415523 /nfs/dbraw/zinc/41/55/23/636415523.db2.gz LETFVEBJMRUREJ-UHFFFAOYSA-N 0 2 294.401 3.130 20 0 CGADLN Cc1[nH]ncc1C[N@@H+](C)C[C@H](C)COCc1ccccc1 ZINC000886305411 637491601 /nfs/dbraw/zinc/49/16/01/637491601.db2.gz GJXASJCCMZEDKF-AWEZNQCLSA-N 0 2 287.407 3.003 20 0 CGADLN O=c1cc(-c2ccc(Cl)cc2)[nH]n1C1CCSCC1 ZINC000887293033 637792020 /nfs/dbraw/zinc/79/20/20/637792020.db2.gz PGUBMQFUWBNNRU-UHFFFAOYSA-N 0 2 294.807 3.172 20 0 CGADLN Cc1cc(C)cc([C@H]([NH2+][C@H](C)c2ccccn2)C(=O)[O-])c1 ZINC000859817933 639227896 /nfs/dbraw/zinc/22/78/96/639227896.db2.gz LKAPRCNQQJQNFA-CJNGLKHVSA-N 0 2 284.359 3.175 20 0 CGADLN COc1ncccc1-c1cc(F)c(O)c(Cl)c1 ZINC001250534629 805683324 /nfs/dbraw/zinc/68/33/24/805683324.db2.gz UFZWKIFQMXTMOF-UHFFFAOYSA-N 0 2 253.660 3.255 20 0 CGADLN CN(C)c1ccc2[nH]c(-c3c(F)ccc(F)c3O)nc2c1 ZINC001250804044 805779772 /nfs/dbraw/zinc/77/97/72/805779772.db2.gz YYUKGBFVQGBKIP-UHFFFAOYSA-N 0 2 289.285 3.280 20 0 CGADLN Oc1ccc(-c2nc3cc4c(cc3[nH]2)OCC4)c(F)c1F ZINC001250912681 805796954 /nfs/dbraw/zinc/79/69/54/805796954.db2.gz JACGTZILUVXBEA-UHFFFAOYSA-N 0 2 288.253 3.149 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Cc1[nH]c(C[N@@H+]2CCc3ccccc3[C@@H](C)C2)c(C)[nH+]1 ZINC000724792120 800366987 /nfs/dbraw/zinc/36/69/87/800366987.db2.gz NFCRQGBDANEQKP-LBPRGKRZSA-N 0 2 269.392 3.188 20 0 CGADLN C[C@H]1C[C@@H]1c1nnc(-c2cc(Cl)c(F)cc2O)o1 ZINC001256775137 806975892 /nfs/dbraw/zinc/97/58/92/806975892.db2.gz VFEWLYVKZXBCQS-WDSKDSINSA-N 0 2 268.675 3.358 20 0 CGADLN CC(C)ONC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001117816844 802503928 /nfs/dbraw/zinc/50/39/28/802503928.db2.gz LTAQJTMTCMKPQT-UHFFFAOYSA-N 0 2 287.281 3.193 20 0 CGADLN O=C(C(F)C(F)(F)F)N1CCC[C@H](C2CCCC2)C1 ZINC001124127358 802998447 /nfs/dbraw/zinc/99/84/47/802998447.db2.gz NMZHFUUHQPVKII-QWRGUYRKSA-N 0 2 281.293 3.316 20 0 CGADLN O=C([C@H](F)C(F)(F)F)N1CCC[C@H](C2CCCC2)C1 ZINC001124127358 802998451 /nfs/dbraw/zinc/99/84/51/802998451.db2.gz NMZHFUUHQPVKII-QWRGUYRKSA-N 0 2 281.293 3.316 20 0 CGADLN Cn1ccc2cnc(-c3cc(F)c(O)c(Cl)c3)nc21 ZINC001244499360 803404820 /nfs/dbraw/zinc/40/48/20/803404820.db2.gz BFBTVCDVIZABMH-UHFFFAOYSA-N 0 2 277.686 3.133 20 0 CGADLN COC(=O)c1cc(C)c(-c2cc(F)c(O)c(Cl)c2)cn1 ZINC001244501569 803407671 /nfs/dbraw/zinc/40/76/71/803407671.db2.gz MTSYCEOQLYEPHK-UHFFFAOYSA-N 0 2 295.697 3.342 20 0 CGADLN Oc1c(F)cc(-c2cncc3nccnc32)cc1Cl ZINC001244503034 803408678 /nfs/dbraw/zinc/40/86/78/803408678.db2.gz YXAGEJKBHUKGEK-UHFFFAOYSA-N 0 2 275.670 3.190 20 0 CGADLN Oc1c(Cl)ccc(-c2ncnc3[nH]cc(F)c32)c1F ZINC001244630738 803473803 /nfs/dbraw/zinc/47/38/03/803473803.db2.gz NAFHBSRWFSXWQA-UHFFFAOYSA-N 0 2 281.649 3.214 20 0 CGADLN Oc1c(Cl)ccc(-c2ncc(CF)cn2)c1F ZINC001244630630 803473891 /nfs/dbraw/zinc/47/38/91/803473891.db2.gz GTFZZVCKKFGUCN-UHFFFAOYSA-N 0 2 256.639 3.111 20 0 CGADLN Oc1c(Cl)ccc(-c2ncnc3cccnc32)c1F ZINC001244631785 803474975 /nfs/dbraw/zinc/47/49/75/803474975.db2.gz ZRZRJJHNHPOMJA-UHFFFAOYSA-N 0 2 275.670 3.190 20 0 CGADLN CCOC(=O)c1cccnc1-c1ccc(Cl)c(O)c1F ZINC001244631735 803474981 /nfs/dbraw/zinc/47/49/81/803474981.db2.gz ZBQQXNUUPITXPZ-UHFFFAOYSA-N 0 2 295.697 3.423 20 0 CGADLN Cc1c(C(=O)[O-])cccc1-c1ccc2[nH+]ccn2c1C ZINC001245304898 803696868 /nfs/dbraw/zinc/69/68/68/803696868.db2.gz ZWYXYZZODSRUDX-UHFFFAOYSA-N 0 2 266.300 3.316 20 0 CGADLN Cc1nc2ncc(-c3c(O)cccc3F)c(C)c2[nH]1 ZINC001245657942 803892265 /nfs/dbraw/zinc/89/22/65/803892265.db2.gz VIZWDLCBMLJCOM-UHFFFAOYSA-N 0 2 257.268 3.086 20 0 CGADLN COC(=O)c1ccnc(-c2cc(Cl)c(O)cc2F)c1F ZINC001245668288 803896109 /nfs/dbraw/zinc/89/61/09/803896109.db2.gz PPYWHRCTYNQEFN-UHFFFAOYSA-N 0 2 299.660 3.172 20 0 CGADLN Oc1cc(F)c(-c2cc3nccnc3cn2)cc1Cl ZINC001245667857 803896537 /nfs/dbraw/zinc/89/65/37/803896537.db2.gz MTDARYQXKCFBJH-UHFFFAOYSA-N 0 2 275.670 3.190 20 0 CGADLN C[C@H](c1ccccc1)N1N=C(c2ccncc2)CC1=O ZINC001245909974 804037759 /nfs/dbraw/zinc/03/77/59/804037759.db2.gz DUHIXFWCAVGZAT-GFCCVEGCSA-N 0 2 265.316 3.260 20 0 CGADLN C[C@H](c1ccccc1)n1[nH]c(-c2ccncc2)cc1=O ZINC001245909974 804037769 /nfs/dbraw/zinc/03/77/69/804037769.db2.gz DUHIXFWCAVGZAT-GFCCVEGCSA-N 0 2 265.316 3.260 20 0 CGADLN CCc1ccc(-n2[nH]c(-c3ccncc3)cc2=O)cc1 ZINC001245912778 804040853 /nfs/dbraw/zinc/04/08/53/804040853.db2.gz ZJWZFWYFOZSJNV-UHFFFAOYSA-N 0 2 265.316 3.202 20 0 CGADLN COc1cccc(-c2cc(=O)n(-c3cccc(F)c3)[nH]2)c1 ZINC001245916852 804042638 /nfs/dbraw/zinc/04/26/38/804042638.db2.gz AZTJMBIOGVDIIE-UHFFFAOYSA-N 0 2 284.290 3.393 20 0 CGADLN Cc1ccc(C2=NN(c3ccc(C)cn3)C(=O)C2)cc1 ZINC001245918969 804046225 /nfs/dbraw/zinc/04/62/25/804046225.db2.gz GVQNUNFZEVMRMI-UHFFFAOYSA-N 0 2 265.316 3.257 20 0 CGADLN O=c1cc(-c2cccc(F)c2)[nH]n1-c1ccnc(Cl)c1 ZINC001245919464 804046330 /nfs/dbraw/zinc/04/63/30/804046330.db2.gz CGHXNWZLTMLFMY-UHFFFAOYSA-N 0 2 289.697 3.432 20 0 CGADLN CCC(C)(C)N1N=C(c2cccc(OC)c2)CC1=O ZINC001245918340 804046553 /nfs/dbraw/zinc/04/65/53/804046553.db2.gz RNMPQKKHLFGMRH-UHFFFAOYSA-N 0 2 260.337 3.409 20 0 CGADLN CCC(C)(C)n1[nH]c(-c2cccc(OC)c2)cc1=O ZINC001245918340 804046561 /nfs/dbraw/zinc/04/65/61/804046561.db2.gz RNMPQKKHLFGMRH-UHFFFAOYSA-N 0 2 260.337 3.409 20 0 CGADLN O=C1CC(c2ccc(F)cc2)=NN1c1ccc(Cl)nc1 ZINC001245918400 804048009 /nfs/dbraw/zinc/04/80/09/804048009.db2.gz UFFUPDAZACWTCW-UHFFFAOYSA-N 0 2 289.697 3.432 20 0 CGADLN O=c1cc(-c2ccoc2)[nH]n1-c1cnc2ccccc2c1 ZINC001245940132 804071996 /nfs/dbraw/zinc/07/19/96/804071996.db2.gz VKCSGYRQJUMGQU-UHFFFAOYSA-N 0 2 277.283 3.386 20 0 CGADLN Cc1ccncc1N1N=C(c2ccc(F)c(C)c2)CC1=O ZINC001245943527 804077602 /nfs/dbraw/zinc/07/76/02/804077602.db2.gz KUFHHKIHCFDOQO-UHFFFAOYSA-N 0 2 283.306 3.396 20 0 CGADLN Cc1ccc(N2N=C(c3ccc(F)c(F)c3)CC2=O)nc1 ZINC001245944699 804078853 /nfs/dbraw/zinc/07/88/53/804078853.db2.gz DQGMSFPLVOGBOE-UHFFFAOYSA-N 0 2 287.269 3.227 20 0 CGADLN Cc1cc(C)cc(C2=NN(c3nccs3)C(=O)C2)c1 ZINC001245947818 804080966 /nfs/dbraw/zinc/08/09/66/804080966.db2.gz AOBHOTHWODQNGS-UHFFFAOYSA-N 0 2 271.345 3.318 20 0 CGADLN Cc1cc(C)cc(C2=NN(c3ccc(F)nc3)C(=O)C2)c1 ZINC001245949060 804083316 /nfs/dbraw/zinc/08/33/16/804083316.db2.gz KZZRHWPLLSKOTA-UHFFFAOYSA-N 0 2 283.306 3.396 20 0 CGADLN Cc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2)cn1 ZINC001245949514 804084338 /nfs/dbraw/zinc/08/43/38/804084338.db2.gz PJMSCRSEXPZGCV-UHFFFAOYSA-N 0 2 283.306 3.147 20 0 CGADLN Cc1ccc(C2=NN([C@@H](C)C(F)(F)F)C(=O)C2)cn1 ZINC001245950340 804085395 /nfs/dbraw/zinc/08/53/95/804085395.db2.gz WSKCNMSKBMNBRD-QMMMGPOBSA-N 0 2 271.242 3.082 20 0 CGADLN C[C@H]1CCC[C@@H]1n1[nH]c(-c2cccc(N)c2)cc1=O ZINC001245953935 804090922 /nfs/dbraw/zinc/09/09/22/804090922.db2.gz UOZVTJVMBRGJDQ-HZMBPMFUSA-N 0 2 257.337 3.199 20 0 CGADLN C[C@@H]1CN(Cc2cc(Cl)c(O)c(Cl)c2)[C@@H](C)CO1 ZINC001140836010 804531388 /nfs/dbraw/zinc/53/13/88/804531388.db2.gz JBVPCDYNUTVGGT-DTWKUNHWSA-N 0 2 290.190 3.308 20 0 CGADLN Oc1c(Cl)cc(CN2CC(C(F)F)C2)cc1Cl ZINC001140835962 804531810 /nfs/dbraw/zinc/53/18/10/804531810.db2.gz HWUHBWQCEBFWQI-UHFFFAOYSA-N 0 2 282.117 3.396 20 0 CGADLN CSCCCNC(=S)Nc1ccc(S)cc1 ZINC001247865950 804848792 /nfs/dbraw/zinc/84/87/92/804848792.db2.gz ZKPDVZBZVXELDW-UHFFFAOYSA-N 0 2 272.464 3.015 20 0 CGADLN C[C@@H]1C[C@@H](C)CCN1Cc1c(F)cc(O)cc1F ZINC001144555179 805003752 /nfs/dbraw/zinc/00/37/52/805003752.db2.gz YNSZGOZPEDUONM-VHSXEESVSA-N 0 2 255.308 3.291 20 0 CGADLN CC1(C)OC[C@@H](Cc2cc(Cl)c(O)c(Cl)c2)O1 ZINC001250184768 805471615 /nfs/dbraw/zinc/47/16/15/805471615.db2.gz FVPLPHQYINTYJP-MRVPVSSYSA-N 0 2 277.147 3.393 20 0 CGADLN C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001172869215 808469533 /nfs/dbraw/zinc/46/95/33/808469533.db2.gz NKMKZOULBXNSOX-RWMBFGLXSA-N 0 2 298.833 3.435 20 0 CGADLN Cc1cc(C)c(Nc2ccc(CC(=O)[O-])cc2)c[nH+]1 ZINC001174948128 809211735 /nfs/dbraw/zinc/21/17/35/809211735.db2.gz VQWJIOHGHISLSH-UHFFFAOYSA-N 0 2 256.305 3.069 20 0 CGADLN O=C(NCC[C@H]1CCCS1)c1cccc(Cl)c1O ZINC001287358211 809337439 /nfs/dbraw/zinc/33/74/39/809337439.db2.gz YUPURNGSSOJAHB-SECBINFHSA-N 0 2 285.796 3.061 20 0 CGADLN COc1ccc(OCc2ccccc2)c(Nc2nnco2)c1 ZINC001175293234 809341911 /nfs/dbraw/zinc/34/19/11/809341911.db2.gz DPSCKJXTESVNFN-UHFFFAOYSA-N 0 2 297.314 3.401 20 0 CGADLN COc1cc(Nc2nnc(C(C)C)o2)c(F)cc1F ZINC001176106822 809623263 /nfs/dbraw/zinc/62/32/63/809623263.db2.gz IZYILOFJEBWTCU-UHFFFAOYSA-N 0 2 269.251 3.223 20 0 CGADLN O=C([O-])c1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cs1 ZINC001176439751 809698413 /nfs/dbraw/zinc/69/84/13/809698413.db2.gz ZSXKWBHAPBLIOT-UHFFFAOYSA-N 0 2 299.355 3.435 20 0 CGADLN Cc1cn2c(cccc2Nc2ccc(CCC(=O)[O-])cc2)[nH+]1 ZINC001213619473 815311620 /nfs/dbraw/zinc/31/16/20/815311620.db2.gz KQEOFHBYPPNHPI-UHFFFAOYSA-N 0 2 295.342 3.404 20 0 CGADLN CCc1cccc(NC(=O)c2cc(F)cc(F)c2O)c1O ZINC001179614255 809933183 /nfs/dbraw/zinc/93/31/83/809933183.db2.gz QIMXEBDATJRPOB-UHFFFAOYSA-N 0 2 293.269 3.191 20 0 CGADLN CN(CC(=O)Nc1ccccc1S)c1ccccc1 ZINC001180948105 810028476 /nfs/dbraw/zinc/02/84/76/810028476.db2.gz NOKCHCLHVCLYLQ-UHFFFAOYSA-N 0 2 272.373 3.050 20 0 CGADLN O=S(=O)(Nc1ccccc1-c1ccco1)c1ccoc1 ZINC001188614010 810494431 /nfs/dbraw/zinc/49/44/31/810494431.db2.gz BTJCIYPMJCAZMO-UHFFFAOYSA-N 0 2 289.312 3.340 20 0 CGADLN CCCCc1ccc(S(=O)(=O)Nc2cnsc2)cc1 ZINC001191233283 810690818 /nfs/dbraw/zinc/69/08/18/810690818.db2.gz RHCGZKCYIMAYOE-UHFFFAOYSA-N 0 2 296.417 3.287 20 0 CGADLN CN(CC1CCCCC1)C(=O)c1c(F)ccc(F)c1O ZINC001192703018 810817700 /nfs/dbraw/zinc/81/77/00/810817700.db2.gz MNDZKYOSOSJZNM-UHFFFAOYSA-N 0 2 283.318 3.323 20 0 CGADLN CC[C@@H](C)OC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC001195077747 811196936 /nfs/dbraw/zinc/19/69/36/811196936.db2.gz WVAPKIFEHSODSW-SSDOTTSWSA-N 0 2 257.359 3.183 20 0 CGADLN Cc1c(C)c(C)c(S(=O)(=O)Nc2ncco2)c(C)c1C ZINC001201791880 811964303 /nfs/dbraw/zinc/96/43/03/811964303.db2.gz CKITTYQCDZGBMJ-UHFFFAOYSA-N 0 2 294.376 3.018 20 0 CGADLN Cc1ccccc1NC(=O)Nc1ccnc(Cl)c1O ZINC001202176214 812029535 /nfs/dbraw/zinc/02/95/35/812029535.db2.gz FWFHIFOFDMHTGR-UHFFFAOYSA-N 0 2 277.711 3.393 20 0 CGADLN Cc1cc[nH+]c(C)c1-c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001206045136 813179473 /nfs/dbraw/zinc/17/94/73/813179473.db2.gz HLSKOYNTFLPREO-UHFFFAOYSA-N 0 2 263.243 3.342 20 0 CGADLN Cc1[nH+]c2ccc(N)cc2n1-c1cc(C(=O)[O-])cc(F)c1C ZINC001210008208 814240546 /nfs/dbraw/zinc/24/05/46/814240546.db2.gz MVYQYMVOPLGDOY-UHFFFAOYSA-N 0 2 299.305 3.062 20 0 CGADLN CCN(C)c1ccc(Nc2ccc(C(=O)[O-])cc2C)c[nH+]1 ZINC001211621078 814919859 /nfs/dbraw/zinc/91/98/59/814919859.db2.gz VRURMVFPYVOBNF-UHFFFAOYSA-N 0 2 285.347 3.288 20 0 CGADLN CCOCc1cncc(Nc2nnc(-c3ccco3)o2)c1 ZINC001215786117 815590479 /nfs/dbraw/zinc/59/04/79/815590479.db2.gz ZIPJMEVXQOVWGD-UHFFFAOYSA-N 0 2 286.291 3.005 20 0 CGADLN Oc1c(Cl)cc(-c2ccc3ncnn3c2)cc1Cl ZINC001242852507 823152698 /nfs/dbraw/zinc/15/26/98/823152698.db2.gz NKVHMIHXLDZHIN-UHFFFAOYSA-N 0 2 280.114 3.409 20 0 CGADLN Cc1ccc(Nc2nonc2N)c(Cl)c1Cl ZINC001216440590 815830262 /nfs/dbraw/zinc/83/02/62/815830262.db2.gz QWBSCYGKOOJWFU-UHFFFAOYSA-N 0 2 259.096 3.011 20 0 CGADLN COc1nc2[nH]ccc2cc1-c1cccc(S)c1 ZINC001242867284 823158650 /nfs/dbraw/zinc/15/86/50/823158650.db2.gz JPYWPDSJOTUPCH-UHFFFAOYSA-N 0 2 256.330 3.479 20 0 CGADLN Nc1cc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc[nH+]1 ZINC001222610671 816477708 /nfs/dbraw/zinc/47/77/08/816477708.db2.gz SLNRXHPTXNKROU-UHFFFAOYSA-N 0 2 282.221 3.048 20 0 CGADLN COC(=O)[C@H]1CC[C@H](Oc2ccc(S)cc2)CC1 ZINC001225554572 817091414 /nfs/dbraw/zinc/09/14/14/817091414.db2.gz FBOGIHCECPZPSO-XYPYZODXSA-N 0 2 266.362 3.086 20 0 CGADLN C[C@@H](Oc1c(F)c(F)c(O)c(F)c1F)C1CC1 ZINC001225878197 817202875 /nfs/dbraw/zinc/20/28/75/817202875.db2.gz KFQLEKLZKYCBJN-SCSAIBSYSA-N 0 2 250.191 3.126 20 0 CGADLN CC[C@@H](C)CC[C@H](C)Oc1nc(C)[nH]c(=O)c1F ZINC001226423454 817352587 /nfs/dbraw/zinc/35/25/87/817352587.db2.gz IFNZODGSCKUJEB-BDAKNGLRSA-N 0 2 256.321 3.223 20 0 CGADLN Cc1cc(C(=O)[O-])cc(-c2ccc3[nH+]ccn3c2)c1 ZINC001243181725 823277146 /nfs/dbraw/zinc/27/71/46/823277146.db2.gz BYDDEDFXGAKIHQ-UHFFFAOYSA-N 0 2 252.273 3.008 20 0 CGADLN Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)cc1C(=O)[O-] ZINC001243195743 823285200 /nfs/dbraw/zinc/28/52/00/823285200.db2.gz PAHVABRXDIITKV-UHFFFAOYSA-N 0 2 293.326 3.000 20 0 CGADLN F[C@@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCCC1(F)F ZINC001232011636 818232156 /nfs/dbraw/zinc/23/21/56/818232156.db2.gz NKZSACPGZSFSKW-CYBMUJFWSA-N 0 2 283.297 3.132 20 0 CGADLN c1c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)[nH]c2cc[nH+]cc12 ZINC001232013757 818232784 /nfs/dbraw/zinc/23/27/84/818232784.db2.gz FCZZWQKCVGBSEA-SFHVURJKSA-N 0 2 293.370 3.136 20 0 CGADLN Oc1c(Cl)ccc(CN2CC[C@@H](F)C2)c1Cl ZINC001232624085 818403615 /nfs/dbraw/zinc/40/36/15/818403615.db2.gz BHNFXKUHJKYYGN-MRVPVSSYSA-N 0 2 264.127 3.243 20 0 CGADLN C[C@H]1CCC[C@H](Oc2cc(O)cc3occc(=O)c23)C1 ZINC001233828106 818713289 /nfs/dbraw/zinc/71/32/89/818713289.db2.gz XAUUMHYJUPJCKG-JQWIXIFHSA-N 0 2 274.316 3.456 20 0 CGADLN Cc1cc(=O)c2c(O[C@@H]3CC[C@H](C)C3)cc(O)cc2o1 ZINC001234815130 818925709 /nfs/dbraw/zinc/92/57/09/818925709.db2.gz SPPYRWGZRXTEAK-JOYOIKCWSA-N 0 2 274.316 3.374 20 0 CGADLN C[NH+](C)CCCn1cc(-c2cc([S-])cc(S)c2)cn1 ZINC001236152784 819348367 /nfs/dbraw/zinc/34/83/67/819348367.db2.gz HOVCTLPAWYZUDQ-UHFFFAOYSA-N 0 2 293.461 3.079 20 0 CGADLN Nc1ccc(-c2ccc3sc(=S)[n-]c3c2)c[nH+]1 ZINC001236313132 819420041 /nfs/dbraw/zinc/42/00/41/819420041.db2.gz JZJRWFPLCNELHU-UHFFFAOYSA-N 0 2 259.359 3.229 20 0 CGADLN CN(CC[N@H+](C)Cc1ccccc1)CC1OC=CC1=S ZINC001237183406 819688952 /nfs/dbraw/zinc/68/89/52/819688952.db2.gz FBQLTTZCODUVQG-UHFFFAOYSA-N 0 2 290.432 3.132 20 0 CGADLN Cc1cc(C(F)(F)F)c(-c2cc(F)cc(F)c2O)nn1 ZINC001243501686 823420674 /nfs/dbraw/zinc/42/06/74/823420674.db2.gz OMGUFZWTKMRBLW-UHFFFAOYSA-N 0 2 290.191 3.455 20 0 CGADLN Oc1c(F)cc(F)cc1-c1ncnc2cccc(F)c21 ZINC001243499847 823420722 /nfs/dbraw/zinc/42/07/22/823420722.db2.gz GMEWHCKIVYSOKZ-UHFFFAOYSA-N 0 2 276.217 3.420 20 0 CGADLN CSc1cc(-c2cc(F)cc(F)c2O)nc(C)n1 ZINC001243500683 823420858 /nfs/dbraw/zinc/42/08/58/823420858.db2.gz RPEGIKLSIYPYEZ-UHFFFAOYSA-N 0 2 268.288 3.158 20 0 CGADLN CC(C)(C)c1ccc(-c2cc(F)cc(F)c2O)nn1 ZINC001243501274 823420967 /nfs/dbraw/zinc/42/09/67/823420967.db2.gz FRIOBLJICHBTEI-UHFFFAOYSA-N 0 2 264.275 3.425 20 0 CGADLN CCCN(CCC)c1cc(-c2ccc3[nH]nnc3c2)ncn1 ZINC001241940152 822232188 /nfs/dbraw/zinc/23/21/88/822232188.db2.gz CCFQNHFARBEQAV-UHFFFAOYSA-N 0 2 296.378 3.041 20 0 CGADLN CSc1ccnc(-c2ccc(F)cc2O)c1F ZINC001242215497 822913665 /nfs/dbraw/zinc/91/36/65/822913665.db2.gz AMCOUFGOZHHWKE-UHFFFAOYSA-N 0 2 253.273 3.454 20 0 CGADLN CC[C@H](C)Oc1nccnc1-c1ccc(F)cc1O ZINC001242218066 822914910 /nfs/dbraw/zinc/91/49/10/822914910.db2.gz YWDHKXLDRUHVKI-VIFPVBQESA-N 0 2 262.284 3.166 20 0 CGADLN CC(C)[C@H](C)Oc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 ZINC001229623222 932179900 /nfs/dbraw/zinc/17/99/00/932179900.db2.gz HMEWYAFWWCXAAS-GWCFXTLKSA-N 0 2 293.388 3.004 20 0 CGADLN CC[C@H](C)Oc1[nH]c(=O)nc2c3ccccc3oc21 ZINC001230666884 932605078 /nfs/dbraw/zinc/60/50/78/932605078.db2.gz OIPGQTSJYTVKQI-QMMMGPOBSA-N 0 2 258.277 3.259 20 0 CGADLN Cc1cc(C[N@@H+]2Cc3cc(C)ccc3CC2(C)C)n[nH]1 ZINC001324336501 934489742 /nfs/dbraw/zinc/48/97/42/934489742.db2.gz ZLMVAUYYXJJJGY-UHFFFAOYSA-N 0 2 269.392 3.363 20 0 CGADLN O=C(NCCCCC1CC1)c1cc(F)cc(Cl)c1O ZINC001472610898 937777980 /nfs/dbraw/zinc/77/79/80/937777980.db2.gz JTQYVBHFZCBIMJ-UHFFFAOYSA-N 0 2 285.746 3.495 20 0 CGADLN CC(C)[C@H](Cc1ccccc1)NC(=O)C(F)C(F)(F)F ZINC001331532319 935389828 /nfs/dbraw/zinc/38/98/28/935389828.db2.gz HJOLRYMKAMARDN-RYUDHWBXSA-N 0 2 291.288 3.270 20 0 CGADLN CC(C)[C@H](Cc1ccccc1)NC(=O)[C@H](F)C(F)(F)F ZINC001331532319 935389836 /nfs/dbraw/zinc/38/98/36/935389836.db2.gz HJOLRYMKAMARDN-RYUDHWBXSA-N 0 2 291.288 3.270 20 0 CGADLN CC(C)CCC[C@@H]([NH2+]Cc1ncc(Cl)s1)C(=O)[O-] ZINC001332017078 935434247 /nfs/dbraw/zinc/43/42/47/935434247.db2.gz FUDUEVONEHPIPN-SECBINFHSA-N 0 2 290.816 3.166 20 0 CGADLN CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1[nH]c(C)[nH+]c1C ZINC001334076751 936083952 /nfs/dbraw/zinc/08/39/52/936083952.db2.gz OKAXKKHSBMBHCW-INIZCTEOSA-N 0 2 269.392 3.363 20 0 CGADLN C[C@@H]1CCC[C@@H](NC(=O)c2cccc(Cl)c2O)C1 ZINC001525134218 938047849 /nfs/dbraw/zinc/04/78/49/938047849.db2.gz JEPQKPWYRSJGMG-NXEZZACHSA-N 0 2 267.756 3.354 20 0 CGADLN CC1(NC(=O)c2cccc(Cl)c2O)CCCCC1 ZINC001526396445 938055095 /nfs/dbraw/zinc/05/50/95/938055095.db2.gz ZWSCLOCSUPMLNS-UHFFFAOYSA-N 0 2 267.756 3.498 20 0 CGADLN O=C(Nc1cc(F)cc(F)c1O)c1ccc(O)c(Cl)c1 ZINC001557086213 938207703 /nfs/dbraw/zinc/20/77/03/938207703.db2.gz LDFCKQVNKZGWIB-UHFFFAOYSA-N 0 2 299.660 3.282 20 0 CGADLN O=C(NOCC1CCC1)C1(c2cccc(F)c2)CCCC1 ZINC001557570969 938210808 /nfs/dbraw/zinc/21/08/08/938210808.db2.gz VHBQSSARJIVHSU-UHFFFAOYSA-N 0 2 291.366 3.485 20 0 CGADLN Cc1ccc([C@H](C)Nc2ccc(C(=O)[O-])c[nH+]2)s1 ZINC000049186274 957476182 /nfs/dbraw/zinc/47/61/82/957476182.db2.gz JHUSFBAMCCUIGU-VIFPVBQESA-N 0 2 262.334 3.323 20 0 CGADLN Cc1ccc2[nH+]c(NCc3cccc(C(=O)[O-])c3)[nH]c2c1 ZINC001594381184 958622517 /nfs/dbraw/zinc/62/25/17/958622517.db2.gz ANXGSQARQMKDPO-UHFFFAOYSA-N 0 2 281.315 3.182 20 0 CGADLN COc1cccc(Cl)c1CNc1ccc(C(=O)[O-])c[nH+]1 ZINC000234949094 960378000 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CONC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000159561368 640052479 /nfs/dbraw/zinc/05/24/79/640052479.db2.gz ZKMTXEAIZDWIDR-UHFFFAOYSA-N 0 2 267.756 3.220 20 0 CGADLN CN(C)c1ccc2nc(-c3cc(F)c(F)cc3O)[nH]c2c1 ZINC001250967648 805813327 /nfs/dbraw/zinc/81/33/27/805813327.db2.gz YKAKTTVIYARIRQ-UHFFFAOYSA-N 0 2 289.285 3.280 20 0 CGADLN COc1ccc2nc(-c3cc(Cl)c(O)cc3O)[nH]c2c1 ZINC001251083062 805844425 /nfs/dbraw/zinc/84/44/25/805844425.db2.gz NQDRODARYQRZCU-UHFFFAOYSA-N 0 2 290.706 3.303 20 0 CGADLN CC[C@@H](C)CONC(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001159862671 806188105 /nfs/dbraw/zinc/18/81/05/806188105.db2.gz ZMJUEXTWOKIZFR-XNRPHZJLSA-N 0 2 279.355 3.150 20 0 CGADLN CCCc1nnc(-c2cc(=O)c3cc(Cl)ccc3[nH]2)o1 ZINC001253952238 806322610 /nfs/dbraw/zinc/32/26/10/806322610.db2.gz VZURQPNDBJQMQH-UHFFFAOYSA-N 0 2 289.722 3.184 20 0 CGADLN Cc1cc([NH+](C)C)ccc1NCc1ccc(C(=O)[O-])s1 ZINC000706238150 799959032 /nfs/dbraw/zinc/95/90/32/799959032.db2.gz BZFMVZKAHLNWTQ-UHFFFAOYSA-N 0 2 290.388 3.433 20 0 CGADLN Cc1cc(NC2CC(CC(=O)[O-])C2)[nH+]c2ccccc12 ZINC000718050142 800209374 /nfs/dbraw/zinc/20/93/74/800209374.db2.gz UPNBDAUAEOGFRL-UHFFFAOYSA-N 0 2 270.332 3.208 20 0 CGADLN C[C@@H]1CO[C@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000718477713 800217391 /nfs/dbraw/zinc/21/73/91/800217391.db2.gz GXIQMIALIQKQSP-WKEGUHRASA-N 0 2 290.146 3.063 20 0 CGADLN Cc1nc(C)c(F)c(-c2cc(F)c(O)c(Cl)c2)n1 ZINC001244499912 803405040 /nfs/dbraw/zinc/40/50/40/803405040.db2.gz MRTOGCRBPBGUNX-UHFFFAOYSA-N 0 2 270.666 3.398 20 0 CGADLN Oc1c(F)cc(-c2ncc3ncsc3n2)cc1Cl ZINC001244500859 803405880 /nfs/dbraw/zinc/40/58/80/803405880.db2.gz PBOMODSNCUEYHW-UHFFFAOYSA-N 0 2 281.699 3.251 20 0 CGADLN Cc1nc2[nH]ccc2c(-c2cc(F)c(O)c(Cl)c2)n1 ZINC001244501347 803407058 /nfs/dbraw/zinc/40/70/58/803407058.db2.gz UBXGGSACXPRBOB-UHFFFAOYSA-N 0 2 277.686 3.383 20 0 CGADLN Cc1ncnc(-c2cc(F)c(O)c(Cl)c2)c1F ZINC001244501860 803407370 /nfs/dbraw/zinc/40/73/70/803407370.db2.gz XKVSQFPMYMWNDN-UHFFFAOYSA-N 0 2 256.639 3.089 20 0 CGADLN Cc1cc(-c2cc(F)c(O)c(Cl)c2)nc2[nH]cnc21 ZINC001244501872 803407564 /nfs/dbraw/zinc/40/75/64/803407564.db2.gz YDRCJBFSSNIWOG-UHFFFAOYSA-N 0 2 277.686 3.431 20 0 CGADLN COc1ccc(-c2cc(F)c(O)c(Cl)c2)nc1OC ZINC001244501819 803407971 /nfs/dbraw/zinc/40/79/71/803407971.db2.gz WZGFOWJZDCZHJK-UHFFFAOYSA-N 0 2 283.686 3.264 20 0 CGADLN C=Cc1cnc(-c2ccc(Cl)c(O)c2F)nc1 ZINC001244631295 803473601 /nfs/dbraw/zinc/47/36/01/803473601.db2.gz UBRVVTKIHNSBQE-UHFFFAOYSA-N 0 2 250.660 3.285 20 0 CGADLN Cc1cc(-c2ccc(Cl)c(O)c2F)nc(C)n1 ZINC001244631645 803475262 /nfs/dbraw/zinc/47/52/62/803475262.db2.gz WYMQIQUKLWMVHS-UHFFFAOYSA-N 0 2 252.676 3.259 20 0 CGADLN Cc1cc(-c2cc(CC(=O)[O-])ccc2F)cn2cc[nH+]c12 ZINC001245318875 803699886 /nfs/dbraw/zinc/69/98/86/803699886.db2.gz ROMKQROCHHCRSS-UHFFFAOYSA-N 0 2 284.290 3.076 20 0 CGADLN Oc1cc(F)c(-c2cccc3n[nH]nc32)cc1Cl ZINC001245672654 803901824 /nfs/dbraw/zinc/90/18/24/803901824.db2.gz YUZOZNOSVBUUDX-UHFFFAOYSA-N 0 2 263.659 3.123 20 0 CGADLN O=C1CC(c2ccc(F)cc2)=NN1c1ncccc1Cl ZINC001245918409 804046814 /nfs/dbraw/zinc/04/68/14/804046814.db2.gz UMYFXEORTPPZBT-UHFFFAOYSA-N 0 2 289.697 3.432 20 0 CGADLN C[C@H]1CCC[C@@H]1n1[nH]c(-c2ccc3c(c2)OCO3)cc1=O ZINC001245929884 804058427 /nfs/dbraw/zinc/05/84/27/804058427.db2.gz GQLHTIIODUEKGU-GWCFXTLKSA-N 0 2 286.331 3.346 20 0 CGADLN O=c1cc(CC2CCCC2)[nH]n1-c1nc2ccccc2o1 ZINC001245932581 804062883 /nfs/dbraw/zinc/06/28/83/804062883.db2.gz RTYVZLWIOOEMBD-UHFFFAOYSA-N 0 2 283.331 3.452 20 0 CGADLN Cc1ccc(-n2[nH]c(-c3cccc(O)c3)cc2=O)cc1F ZINC001245940321 804071089 /nfs/dbraw/zinc/07/10/89/804071089.db2.gz UITHIAQEKAUNTH-UHFFFAOYSA-N 0 2 284.290 3.398 20 0 CGADLN O=C1CC(c2cccc(O)c2)=NN1Cc1cccc(F)c1 ZINC001245940396 804071110 /nfs/dbraw/zinc/07/11/10/804071110.db2.gz VGVWXCZZHQBCIK-UHFFFAOYSA-N 0 2 284.290 3.149 20 0 CGADLN O=c1cc(-c2cccc(O)c2)[nH]n1Cc1cccc(F)c1 ZINC001245940396 804071116 /nfs/dbraw/zinc/07/11/16/804071116.db2.gz VGVWXCZZHQBCIK-UHFFFAOYSA-N 0 2 284.290 3.149 20 0 CGADLN COc1cccc(Cn2[nH]c(-c3ccc(O)cc3)cc2=O)c1 ZINC001245941060 804073174 /nfs/dbraw/zinc/07/31/74/804073174.db2.gz GTNMJFYNBNAQFA-UHFFFAOYSA-N 0 2 296.326 3.018 20 0 CGADLN Cc1nc(N2N=C(c3ccc(O)cc3)CC2=O)sc1C ZINC001245942490 804073859 /nfs/dbraw/zinc/07/38/59/804073859.db2.gz XRFUSJCACORACZ-UHFFFAOYSA-N 0 2 287.344 3.024 20 0 CGADLN Cc1nc(-n2[nH]c(-c3ccc(O)cc3)cc2=O)sc1C ZINC001245942490 804073868 /nfs/dbraw/zinc/07/38/68/804073868.db2.gz XRFUSJCACORACZ-UHFFFAOYSA-N 0 2 287.344 3.024 20 0 CGADLN O=C1CC(c2ccc(O)cc2)=NN1c1ccc(F)c(F)c1 ZINC001245941564 804075226 /nfs/dbraw/zinc/07/52/26/804075226.db2.gz ONHDKUBSHBEVOH-UHFFFAOYSA-N 0 2 288.253 3.229 20 0 CGADLN Cc1ccc(C2=NN([C@H](C)c3cccc(O)c3)C(=O)C2)cn1 ZINC001245948356 804082233 /nfs/dbraw/zinc/08/22/33/804082233.db2.gz CJNUPAMMVMPXDT-GFCCVEGCSA-N 0 2 295.342 3.274 20 0 CGADLN Cc1ccc(C2=NN([C@H]3CCC[C@@H]3C)C(=O)C2)cn1 ZINC001245950366 804084928 /nfs/dbraw/zinc/08/49/28/804084928.db2.gz XKVSFGHYKNWRQJ-HZMBPMFUSA-N 0 2 257.337 3.320 20 0 CGADLN CCC1CCN(Cc2ccc(O)c(F)c2F)CC1 ZINC001140889251 804541687 /nfs/dbraw/zinc/54/16/87/804541687.db2.gz DFECGIKBZPAWLU-UHFFFAOYSA-N 0 2 255.308 3.292 20 0 CGADLN CC[C@H](C)CONC(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC001141518084 804649840 /nfs/dbraw/zinc/64/98/40/804649840.db2.gz IPPNYOSCGKXWLS-GUYCJALGSA-N 0 2 275.392 3.448 20 0 CGADLN O=C([O-])c1ccc(Nc2cccc3[nH+]ccn32)c(Cl)c1 ZINC001248545386 804948968 /nfs/dbraw/zinc/94/89/68/804948968.db2.gz ZHSJIQIASUAHKA-UHFFFAOYSA-N 0 2 287.706 3.430 20 0 CGADLN O=C([O-])c1ccsc1C[N@@H+]1Cc2ccc(F)cc2C1 ZINC001144677754 805032334 /nfs/dbraw/zinc/03/23/34/805032334.db2.gz BBJKFPWEGKGSEC-UHFFFAOYSA-N 0 2 277.320 3.101 20 0 CGADLN O=C([O-])c1ccsc1C[N@H+]1Cc2ccc(F)cc2C1 ZINC001144677754 805032345 /nfs/dbraw/zinc/03/23/45/805032345.db2.gz BBJKFPWEGKGSEC-UHFFFAOYSA-N 0 2 277.320 3.101 20 0 CGADLN CC(C)(C)Cc1nnc(-c2csc3c2[nH]cnc3=O)o1 ZINC001257848911 807225895 /nfs/dbraw/zinc/22/58/95/807225895.db2.gz RKWCPFJBHGVMDC-UHFFFAOYSA-N 0 2 290.348 3.036 20 0 CGADLN Cc1csc(NS(=O)(=O)c2ccc(F)cc2C)c1 ZINC001259485016 807679358 /nfs/dbraw/zinc/67/93/58/807679358.db2.gz RERDVHPLBSKYAH-UHFFFAOYSA-N 0 2 285.365 3.305 20 0 CGADLN O=C([O-])/C=C/c1cccc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001174496537 809043520 /nfs/dbraw/zinc/04/35/20/809043520.db2.gz MDJNWRCRIITXRO-SNAWJCMRSA-N 0 2 279.299 3.176 20 0 CGADLN O=C([O-])c1ccc(Nc2cccc(-n3cc[nH+]c3)c2)s1 ZINC001174811073 809169175 /nfs/dbraw/zinc/16/91/75/809169175.db2.gz WQUUODLSKIAEFJ-UHFFFAOYSA-N 0 2 285.328 3.376 20 0 CGADLN O=C([O-])c1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC001175157882 809291521 /nfs/dbraw/zinc/29/15/21/809291521.db2.gz WAGMVBIEZOSQAC-UHFFFAOYSA-N 0 2 297.289 3.453 20 0 CGADLN CCc1ccc[nH+]c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175216045 809310743 /nfs/dbraw/zinc/31/07/43/809310743.db2.gz SLRVNRHRZPUWBS-UHFFFAOYSA-N 0 2 260.268 3.225 20 0 CGADLN O=C([O-])c1cccc(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001175328889 809356382 /nfs/dbraw/zinc/35/63/82/809356382.db2.gz OLYNRHYIQGLEFC-UHFFFAOYSA-N 0 2 287.706 3.430 20 0 CGADLN Cc1cc[nH+]c(C(C)C)c1Nc1cncc(C(=O)[O-])c1 ZINC001175842045 809554097 /nfs/dbraw/zinc/55/40/97/809554097.db2.gz LJCDIQSTXMNFCP-UHFFFAOYSA-N 0 2 271.320 3.350 20 0 CGADLN O=C1Cc2cc(Nc3ccc(S)cc3)ccc2N1 ZINC001176427588 809694173 /nfs/dbraw/zinc/69/41/73/809694173.db2.gz CETCPSRZRROQRU-UHFFFAOYSA-N 0 2 256.330 3.214 20 0 CGADLN O=C([O-])c1cc(Nc2ccc[nH+]c2N2CCCC2)cs1 ZINC001176436724 809696588 /nfs/dbraw/zinc/69/65/88/809696588.db2.gz MWTAUMMGOZKELJ-UHFFFAOYSA-N 0 2 289.360 3.185 20 0 CGADLN CN(C)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c[nH+]1 ZINC001176582923 809723918 /nfs/dbraw/zinc/72/39/18/809723918.db2.gz RILZZECPOYFLPP-UHFFFAOYSA-N 0 2 297.358 3.007 20 0 CGADLN O=C([O-])c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176712041 809746748 /nfs/dbraw/zinc/74/67/48/809746748.db2.gz WMUGILJKELEVGO-UHFFFAOYSA-N 0 2 283.331 3.124 20 0 CGADLN O=C(NCC1CC1)Nc1ccc(Cl)c(Cl)c1O ZINC001186614229 810350436 /nfs/dbraw/zinc/35/04/36/810350436.db2.gz FOSNUVVMQVYSAQ-UHFFFAOYSA-N 0 2 275.135 3.231 20 0 CGADLN CCc1ccc(Cl)cc1NS(=O)(=O)c1ccoc1 ZINC001188614085 810494495 /nfs/dbraw/zinc/49/44/95/810494495.db2.gz GNTAEDWSEMJFGY-UHFFFAOYSA-N 0 2 285.752 3.296 20 0 CGADLN CCc1ccc(NC(=O)c2cc(F)c(O)cc2F)c(O)c1 ZINC001192873035 810826866 /nfs/dbraw/zinc/82/68/66/810826866.db2.gz ZGPRRJDJKDFGPV-UHFFFAOYSA-N 0 2 293.269 3.191 20 0 CGADLN O=C(Nc1ccc(F)c(F)c1O)OC1CCCC1 ZINC001193566187 810909680 /nfs/dbraw/zinc/90/96/80/810909680.db2.gz RCXBIKIXDBEWEJ-UHFFFAOYSA-N 0 2 257.236 3.162 20 0 CGADLN COc1ccccc1OC(=O)Nc1ccc(F)c(F)c1O ZINC001195271729 811235545 /nfs/dbraw/zinc/23/55/45/811235545.db2.gz GDAQJETYTNJUID-UHFFFAOYSA-N 0 2 295.241 3.290 20 0 CGADLN C=Cc1ccc(NC(=O)c2cc(Cl)ncc2O)cc1 ZINC001196396563 811340449 /nfs/dbraw/zinc/34/04/49/811340449.db2.gz VMRYNVGHBARMSM-UHFFFAOYSA-N 0 2 274.707 3.336 20 0 CGADLN O=C(Nc1ccnc(Cl)c1O)Nc1cc(F)ccc1F ZINC001202645365 812145671 /nfs/dbraw/zinc/14/56/71/812145671.db2.gz AHEVACVSKUPHLX-UHFFFAOYSA-N 0 2 299.664 3.363 20 0 CGADLN O=C([O-])c1cc(F)c(Nc2cccc3[nH+]ccn32)c(F)c1 ZINC001215610735 815547250 /nfs/dbraw/zinc/54/72/50/815547250.db2.gz YKNUOXAWQNGNAD-UHFFFAOYSA-N 0 2 289.241 3.054 20 0 CGADLN COc1cc[nH+]cc1Nc1ccc(Cl)c(C(=O)[O-])c1F ZINC001215695211 815559279 /nfs/dbraw/zinc/55/92/79/815559279.db2.gz GZNWBDBVGKMZPY-UHFFFAOYSA-N 0 2 296.685 3.325 20 0 CGADLN O=C([O-])c1cc(-c2ccc(Cn3cc[nH+]c3)cc2)cs1 ZINC001206284249 813271032 /nfs/dbraw/zinc/27/10/32/813271032.db2.gz ZYKLAMDRCTZPBP-UHFFFAOYSA-N 0 2 284.340 3.358 20 0 CGADLN Cc1cc(-c2csc(C(=O)[O-])c2)c2[nH+]ccn2c1 ZINC001206283868 813271111 /nfs/dbraw/zinc/27/11/11/813271111.db2.gz LEASFCAIQKXVGX-UHFFFAOYSA-N 0 2 258.302 3.069 20 0 CGADLN CSc1cc(Nc2cccc(CC(=O)[O-])c2)cc[nH+]1 ZINC001210072727 814274525 /nfs/dbraw/zinc/27/45/25/814274525.db2.gz VRPFIMSDQDBUMT-UHFFFAOYSA-N 0 2 274.345 3.174 20 0 CGADLN Cn1c2ccccc2[nH+]c1Nc1ccccc1C(=O)[O-] ZINC001210970467 814697306 /nfs/dbraw/zinc/69/73/06/814697306.db2.gz ZAXWOGGTJOOVNM-UHFFFAOYSA-N 0 2 267.288 3.015 20 0 CGADLN CSc1ncc(Cl)cc1Nc1nonc1C1CC1 ZINC001215917615 815628955 /nfs/dbraw/zinc/62/89/55/815628955.db2.gz JKATZPWEHXWCCN-UHFFFAOYSA-N 0 2 282.756 3.461 20 0 CGADLN Cc1ccc(-c2noc(-c3cc(F)c(O)c(F)c3)n2)nc1 ZINC001217032625 815906244 /nfs/dbraw/zinc/90/62/44/815906244.db2.gz PNXNCUBPOFRKER-UHFFFAOYSA-N 0 2 289.241 3.091 20 0 CGADLN COC(=O)C[C@H]1CCC[C@@H](Oc2ccc(S)cc2)C1 ZINC001225555030 817091738 /nfs/dbraw/zinc/09/17/38/817091738.db2.gz IJOVOAIGJJWUHV-WCQYABFASA-N 0 2 280.389 3.476 20 0 CGADLN CC(C)=CCC[C@H](C)Oc1nc(C)[nH]c(=O)c1F ZINC001226425320 817354320 /nfs/dbraw/zinc/35/43/20/817354320.db2.gz VHYCXOPUNHSSPX-VIFPVBQESA-N 0 2 254.305 3.143 20 0 CGADLN CCCCC[C@H](CCC)Oc1[nH]c(=O)nc2nccnc21 ZINC001226989401 817527110 /nfs/dbraw/zinc/52/71/10/817527110.db2.gz JHUDNYUDYJTTLD-NSHDSACASA-N 0 2 290.367 3.253 20 0 CGADLN O=C([O-])c1ccc(-c2ccc(F)c(-n3cc[nH+]c3)c2)cc1 ZINC001236064352 819297245 /nfs/dbraw/zinc/29/72/45/819297245.db2.gz PIUWLJZJBMHOPN-UHFFFAOYSA-N 0 2 282.274 3.377 20 0 CGADLN Oc1c(F)cc(F)cc1-c1cc(C(F)(F)F)cnn1 ZINC001243500437 823420822 /nfs/dbraw/zinc/42/08/22/823420822.db2.gz OLPHFBUGPBISCB-UHFFFAOYSA-N 0 2 276.164 3.146 20 0 CGADLN Cc1cn2c(cccc2-c2cc(F)c(C(=O)[O-])c(F)c2)[nH+]1 ZINC001239346228 820284799 /nfs/dbraw/zinc/28/47/99/820284799.db2.gz OYUMVOLYGHOHCX-UHFFFAOYSA-N 0 2 288.253 3.286 20 0 CGADLN Sc1ccccc1-c1ccc(N2CCOCC2)cc1 ZINC001240763810 821310137 /nfs/dbraw/zinc/31/01/37/821310137.db2.gz JPYWAOMUMLAJDW-UHFFFAOYSA-N 0 2 271.385 3.479 20 0 CGADLN Cc1cc2[nH+]ccn2cc1-c1cc(C(=O)[O-])cc(F)c1C ZINC001242210382 822911424 /nfs/dbraw/zinc/91/14/24/822911424.db2.gz GTVMHCLCWVKNPY-UHFFFAOYSA-N 0 2 284.290 3.455 20 0 CGADLN COC(=O)c1ccc(C)nc1-c1cccc(Cl)c1O ZINC001242362754 822966907 /nfs/dbraw/zinc/96/69/07/822966907.db2.gz NFMMAEJPONOOMU-UHFFFAOYSA-N 0 2 277.707 3.203 20 0 CGADLN CCOC(=O)c1cccnc1-c1cccc(Cl)c1O ZINC001242362829 822967515 /nfs/dbraw/zinc/96/75/15/822967515.db2.gz PEVVRQWYOPPFFM-UHFFFAOYSA-N 0 2 277.707 3.284 20 0 CGADLN COc1nccc2c(-c3cccc(Cl)c3O)ncnc21 ZINC001242363030 822967667 /nfs/dbraw/zinc/96/76/67/822967667.db2.gz UVHLUPIZHLXIHL-UHFFFAOYSA-N 0 2 287.706 3.059 20 0 CGADLN Sc1ccc(-c2ccc(-n3ccnn3)cc2)cc1 ZINC001242415233 822986701 /nfs/dbraw/zinc/98/67/01/822986701.db2.gz KVQHAUCVMRXLBD-UHFFFAOYSA-N 0 2 253.330 3.223 20 0 CGADLN O=C(Nc1cc2cc[nH]c2cn1)c1cccc(Cl)c1O ZINC001437207536 937291711 /nfs/dbraw/zinc/29/17/11/937291711.db2.gz KYTMFWMJUZBWDS-UHFFFAOYSA-N 0 2 287.706 3.174 20 0 CGADLN COC(=O)c1c[nH]c(O[C@@H](C)c2ccc3ccccc3c2)n1 ZINC001230280662 932550788 /nfs/dbraw/zinc/55/07/88/932550788.db2.gz XWTHJKBWSNTMEV-NSHDSACASA-N 0 2 296.326 3.490 20 0 CGADLN CC(C)Nc1ccccc1NC(=O)c1ccc2[nH]nnc2c1 ZINC001470198349 937749186 /nfs/dbraw/zinc/74/91/86/937749186.db2.gz JBOKWCCGVIWKFB-UHFFFAOYSA-N 0 2 295.346 3.031 20 0 CGADLN COc1cc(C2(C(=O)NOC(C)(C)C)CCC2)ccc1C ZINC001324564111 934525567 /nfs/dbraw/zinc/52/55/67/934525567.db2.gz FMGJSSPNIBQIOS-UHFFFAOYSA-N 0 2 291.391 3.272 20 0 CGADLN O=C(c1c(O)cc(F)cc1F)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001324579529 934527118 /nfs/dbraw/zinc/52/71/18/934527118.db2.gz FGLVTDGOBQOOJK-QWRGUYRKSA-N 0 2 295.329 3.323 20 0 CGADLN C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@](C)(C(=O)[O-])c2ccccc2)o1 ZINC001333125303 935512559 /nfs/dbraw/zinc/51/25/59/935512559.db2.gz SBUAEHVAMAAJTF-CDHAZOANSA-N 0 2 299.370 3.493 20 0 CGADLN CS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2O)C1 ZINC001337240525 936245081 /nfs/dbraw/zinc/24/50/81/936245081.db2.gz RJLRSRWLPWTUCR-NXEZZACHSA-N 0 2 299.823 3.402 20 0 CGADLN CCN(C(=O)c1cccc(Cl)c1O)C(C)(C)C ZINC001526870871 938058616 /nfs/dbraw/zinc/05/86/16/938058616.db2.gz CPXNMYQDJHVJRT-UHFFFAOYSA-N 0 2 255.745 3.306 20 0 CGADLN O=C(Nc1cc(Cl)c(O)cc1F)c1cccc(F)c1O ZINC001568779803 961641229 /nfs/dbraw/zinc/64/12/29/961641229.db2.gz DIJIZBUXKWWOHE-UHFFFAOYSA-N 0 2 299.660 3.282 20 0 CGADLN COc1cccc([C@H](C)C(=O)NOc2ccc(F)cc2)c1 ZINC001584003685 962878452 /nfs/dbraw/zinc/87/84/52/962878452.db2.gz BIMSFWPOXWYYFF-NSHDSACASA-N 0 2 289.306 3.048 20 0 CGADLN CCNc1ccc(Nc2nc(Cl)c(C(=O)[O-])s2)c[nH+]1 ZINC001596504788 984260425 /nfs/dbraw/zinc/26/04/25/984260425.db2.gz UEMHJMCJRKDTTH-UHFFFAOYSA-N 0 2 298.755 3.065 20 0 CGADLN CC(C)(C)c1ccncc1CNc1cc(CC(=O)[O-])cc[nH+]1 ZINC001590515574 990128023 /nfs/dbraw/zinc/12/80/23/990128023.db2.gz SMXXNRBIEPLYFN-UHFFFAOYSA-N 0 2 299.374 3.013 20 0 CGADLN C[C@@H]1CC[N@H+](Cc2cccc(C(=O)[O-])c2Cl)C[C@H]1F ZINC001594423869 999584273 /nfs/dbraw/zinc/58/42/73/999584273.db2.gz JTEZBXBSCSKGQG-BXKDBHETSA-N 0 2 285.746 3.218 20 0 CGADLN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C[C@H]1F ZINC001594423869 999584278 /nfs/dbraw/zinc/58/42/78/999584278.db2.gz JTEZBXBSCSKGQG-BXKDBHETSA-N 0 2 285.746 3.218 20 0 CGADLN CC(C)C[C@@H]1COCCN1C(=O)Nc1ccnc(Cl)c1 ZINC000124360984 187134464 /nfs/dbraw/zinc/13/44/64/187134464.db2.gz AMZLKAPHDGYFKJ-GFCCVEGCSA-N 0 2 297.786 3.014 20 0 CGADLN C[C@@H]1CCCC[C@H]1CNC(=O)c1c(O)cc(F)cc1F ZINC000620977663 349438828 /nfs/dbraw/zinc/43/88/28/349438828.db2.gz MJXUZIMFBHNPIG-ZJUUUORDSA-N 0 2 283.318 3.227 20 0 CGADLN CC[C@@H](C)CSCc1nc(=O)c2sccc2[nH]1 ZINC000124401507 187136239 /nfs/dbraw/zinc/13/62/39/187136239.db2.gz GXJYLKYPAXZJSA-MRVPVSSYSA-N 0 2 268.407 3.264 20 0 CGADLN CC1(C)CCCC[C@@H]1CC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000337648439 214196067 /nfs/dbraw/zinc/19/60/67/214196067.db2.gz BJGVIWJFALMUBU-CYBMUJFWSA-N 0 2 287.407 3.321 20 0 CGADLN CO[C@@H](C)c1nsc(NC[C@@H](C)Cc2cccs2)n1 ZINC000337842718 214283750 /nfs/dbraw/zinc/28/37/50/214283750.db2.gz CARSMINTKWRQEO-UWVGGRQHSA-N 0 2 297.449 3.020 20 0 CGADLN CC(C)CC(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000622929574 349732593 /nfs/dbraw/zinc/73/25/93/349732593.db2.gz VRNFKVRVPJRGRO-UHFFFAOYSA-N 0 2 295.795 3.265 20 0 CGADLN CC(C)(C)c1nc(SCc2cn3ccsc3n2)n[nH]1 ZINC000171412014 346207627 /nfs/dbraw/zinc/20/76/27/346207627.db2.gz GALHKMYUTOWJMH-UHFFFAOYSA-N 0 2 293.421 3.104 20 0 CGADLN C[C@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2Cl)CC(C)(C)O1 ZINC000394499866 346576833 /nfs/dbraw/zinc/57/68/33/346576833.db2.gz PAFWHWDYPQDIKF-JTQLQIEISA-N 0 2 297.782 3.038 20 0 CGADLN C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)CC(C)(C)O1 ZINC000394499866 346576835 /nfs/dbraw/zinc/57/68/35/346576835.db2.gz PAFWHWDYPQDIKF-JTQLQIEISA-N 0 2 297.782 3.038 20 0 CGADLN O=C([O-])[C@@H]([NH2+]Cc1ccsc1Cl)c1ccccc1 ZINC000308350099 232643660 /nfs/dbraw/zinc/64/36/60/232643660.db2.gz NKRVEMYWGZFVAB-NSHDSACASA-N 0 2 281.764 3.317 20 0 CGADLN CCc1ccc([C@@H](C)CC(=O)N=c2cc(C)c(C)n[nH]2)cc1 ZINC000606200857 348172334 /nfs/dbraw/zinc/17/23/34/348172334.db2.gz WUDQCDRSKQWQQB-ZDUSSCGKSA-N 0 2 297.402 3.210 20 0 CGADLN Cc1nc(=N[C@@H](C)c2ccccc2OC(C)C)s[nH]1 ZINC000608079760 348282862 /nfs/dbraw/zinc/28/28/62/348282862.db2.gz ASAYCDCFGLPWMF-JTQLQIEISA-N 0 2 277.393 3.229 20 0 CGADLN O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1c(O)cc(F)cc1F ZINC000608471697 348311271 /nfs/dbraw/zinc/31/12/71/348311271.db2.gz VLBLBXOAHBQGAE-JFGNBEQYSA-N 0 2 295.329 3.369 20 0 CGADLN O=c1cc(-c2ccc(Cl)cc2)[nH]n1C1CCCC1 ZINC000614187319 348656517 /nfs/dbraw/zinc/65/65/17/348656517.db2.gz ZTQJVCDJTPJAFN-UHFFFAOYSA-N 0 2 262.740 3.219 20 0 CGADLN Cc1sc2ncnc(N3N=C(C(C)C)CC3=O)c2c1C ZINC000614186130 348656626 /nfs/dbraw/zinc/65/66/26/348656626.db2.gz VMINOPDQVDNZNR-UHFFFAOYSA-N 0 2 288.376 3.057 20 0 CGADLN Cc1sc2ncnc(-n3[nH]c(C(C)C)cc3=O)c2c1C ZINC000614186130 348656629 /nfs/dbraw/zinc/65/66/29/348656629.db2.gz VMINOPDQVDNZNR-UHFFFAOYSA-N 0 2 288.376 3.057 20 0 CGADLN O=C([O-])c1ccc[nH+]c1N1CCC[C@H]1c1cccs1 ZINC000614259655 348662989 /nfs/dbraw/zinc/66/29/89/348662989.db2.gz ZGPXGNMWKXPPEH-NSHDSACASA-N 0 2 274.345 3.183 20 0 CGADLN CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c(F)c(O)c1F ZINC000620430717 349370693 /nfs/dbraw/zinc/37/06/93/349370693.db2.gz MHUDKXMONRONFI-CBLAIPOGSA-N 0 2 299.292 3.213 20 0 CGADLN c1csc([C@@H]([NH2+]C[C@H]2CCCC23CC3)c2nnc[nH]2)c1 ZINC000624316860 350025648 /nfs/dbraw/zinc/02/56/48/350025648.db2.gz VGWCNWRMHKOQOI-DGCLKSJQSA-N 0 2 288.420 3.126 20 0 CGADLN Cc1nsc(N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000359909341 233392699 /nfs/dbraw/zinc/39/26/99/233392699.db2.gz YSXYYDJTMJNFAR-WCQYABFASA-N 0 2 277.368 3.156 20 0 CGADLN Cc1cccc2c(=O)c(C(=O)N(CC3CC3)C(C)C)c[nH]c12 ZINC000630027692 350798631 /nfs/dbraw/zinc/79/86/31/350798631.db2.gz VBLDMXSRMUMLPT-UHFFFAOYSA-N 0 2 298.386 3.097 20 0 CGADLN COC(C)(C)c1nc(=NCc2ccc(C)cc2C)s[nH]1 ZINC000630961674 350917223 /nfs/dbraw/zinc/91/72/23/350917223.db2.gz ZFKWWYRZQUDNAO-UHFFFAOYSA-N 0 2 291.420 3.070 20 0 CGADLN C[C@H](C1CC1)N(C)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000336513576 213390086 /nfs/dbraw/zinc/39/00/86/213390086.db2.gz IIKHSMDTOMCOCQ-SSDOTTSWSA-N 0 2 271.719 3.055 20 0 CGADLN O=C(N[C@]12C[C@H]1CCCC2)c1cc(F)c(O)c(Cl)c1 ZINC000634096549 351439388 /nfs/dbraw/zinc/43/93/88/351439388.db2.gz UBXSNBYTXSOWTC-YMTOWFKASA-N 0 2 283.730 3.247 20 0 CGADLN CCC(C)(C)CCNC(=O)c1cc(F)c(F)c(O)c1F ZINC000633970501 351411567 /nfs/dbraw/zinc/41/15/67/351411567.db2.gz VCLRYEWTODKGCU-UHFFFAOYSA-N 0 2 289.297 3.366 20 0 CGADLN CC1(F)CCN(C(=O)c2cc(F)c(O)c(Cl)c2)CC1 ZINC000634360574 351475544 /nfs/dbraw/zinc/47/55/44/351475544.db2.gz RPNLPRYMQZKUEU-UHFFFAOYSA-N 0 2 289.709 3.149 20 0 CGADLN CCC1=NN(c2ncc(Cl)cc2Cl)C(=O)[C@H]1C ZINC000634583809 351524335 /nfs/dbraw/zinc/52/43/35/351524335.db2.gz IQFRIXASXIFXGZ-LURJTMIESA-N 0 2 272.135 3.137 20 0 CGADLN CCCCC1=NN(c2ccc(Cl)cn2)C(=O)C1 ZINC000634593519 351530180 /nfs/dbraw/zinc/53/01/80/351530180.db2.gz QPGLBTNPXNJOPU-UHFFFAOYSA-N 0 2 251.717 3.018 20 0 CGADLN CCCCc1cc(=O)n(-c2ccc(Cl)cn2)[nH]1 ZINC000634593519 351530181 /nfs/dbraw/zinc/53/01/81/351530181.db2.gz QPGLBTNPXNJOPU-UHFFFAOYSA-N 0 2 251.717 3.018 20 0 CGADLN CCC1=NN(c2ccc(OC(F)F)cc2)C(=O)[C@H]1C ZINC000634602533 351537793 /nfs/dbraw/zinc/53/77/93/351537793.db2.gz VACVJEMYPPSJCE-QMMMGPOBSA-N 0 2 268.263 3.037 20 0 CGADLN CCC1=NN(c2ccccc2OC(F)(F)F)C(=O)[C@H]1C ZINC000634614506 351544014 /nfs/dbraw/zinc/54/40/14/351544014.db2.gz DXCAPWMPDPWTCS-QMMMGPOBSA-N 0 2 286.253 3.334 20 0 CGADLN C[C@H]1CC[C@@H]2C(=O)N(c3ccccc3OC(F)(F)F)N=C12 ZINC000634614464 351544082 /nfs/dbraw/zinc/54/40/82/351544082.db2.gz CZBNKKWSYMOOBY-IUCAKERBSA-N 0 2 298.264 3.334 20 0 CGADLN CC(C)[C@H](Cc1ccccc1)n1[nH]c2c(c1=O)CCC2 ZINC000634621965 351547882 /nfs/dbraw/zinc/54/78/82/351547882.db2.gz ULPUHWAYQAFSPY-HOCLYGCPSA-N 0 2 270.376 3.252 20 0 CGADLN COCC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000273647769 192245247 /nfs/dbraw/zinc/24/52/47/192245247.db2.gz UAECYYJNMYQJMT-UHFFFAOYSA-N 0 2 292.162 3.310 20 0 CGADLN COCC(C)(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000274279253 192516928 /nfs/dbraw/zinc/51/69/28/192516928.db2.gz JJINCZYJRPGOKB-UHFFFAOYSA-N 0 2 292.162 3.310 20 0 CGADLN Cc1cc[nH+]c(NC[C@@H](CC(C)C)C(=O)[O-])c1Cl ZINC000424370102 236158712 /nfs/dbraw/zinc/15/87/12/236158712.db2.gz CRAQTHAMCBXSIN-SNVBAGLBSA-N 0 2 270.760 3.202 20 0 CGADLN CCC1(NC(=O)N[C@@H](COCC(C)C)c2ccco2)CC1 ZINC000297543994 200224069 /nfs/dbraw/zinc/22/40/69/200224069.db2.gz FGUVCTOAEYYUMA-ZDUSSCGKSA-N 0 2 294.395 3.235 20 0 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C[C@@H]1CCC[C@@H](C2CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC000829120381 633698924 /nfs/dbraw/zinc/69/89/24/633698924.db2.gz RJTRDUIRODXHLT-FXPVBKGRSA-N 0 2 281.293 3.172 20 0 CGADLN O=C(Nc1ccc2ccccc2c1)c1ccc2[nH]nnc2c1 ZINC000016493811 635681572 /nfs/dbraw/zinc/68/15/72/635681572.db2.gz FYQAPQOUPOWCGZ-UHFFFAOYSA-N 0 2 288.310 3.363 20 0 CGADLN CCCONC(=O)C1(c2ccccc2Cl)CCC1 ZINC000846277745 636171790 /nfs/dbraw/zinc/17/17/90/636171790.db2.gz MGXGTVWYYARUMV-UHFFFAOYSA-N 0 2 267.756 3.220 20 0 CGADLN Cc1oc(NC(=O)c2cc(F)c(O)c(F)c2)nc1C1CC1 ZINC000887241367 637778366 /nfs/dbraw/zinc/77/83/66/637778366.db2.gz OOJYOEOZOLQGRV-UHFFFAOYSA-N 0 2 294.257 3.097 20 0 CGADLN CC[C@@H](C)N(CC)C(=O)c1cccc(Cl)c1O ZINC000855144695 638147585 /nfs/dbraw/zinc/14/75/85/638147585.db2.gz HKBQPCPCMTWVTA-SECBINFHSA-N 0 2 255.745 3.306 20 0 CGADLN O=C(C(F)C(F)(F)F)N1CC2CC1(c1ccccc1)C2 ZINC000856441846 638359830 /nfs/dbraw/zinc/35/98/30/638359830.db2.gz GDOCHHOIRGKLIJ-DMLGSKKGSA-N 0 2 287.256 3.035 20 0 CGADLN O=C([C@@H](F)C(F)(F)F)N1CC2CC1(c1ccccc1)C2 ZINC000856441846 638359834 /nfs/dbraw/zinc/35/98/34/638359834.db2.gz GDOCHHOIRGKLIJ-DMLGSKKGSA-N 0 2 287.256 3.035 20 0 CGADLN Cc1noc(C(C)C)c1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000928785693 638891919 /nfs/dbraw/zinc/89/19/19/638891919.db2.gz FRASHMBQDFZJBP-UHFFFAOYSA-N 0 2 296.273 3.343 20 0 CGADLN CCCCCC[C@H](CC)C(=O)Nc1nc(C)n[nH]1 ZINC000116750499 639140012 /nfs/dbraw/zinc/14/00/12/639140012.db2.gz DQWWOMKHSIUHJU-NSHDSACASA-N 0 2 252.362 3.048 20 0 CGADLN O=C(N[C@@H]1CCCc2ccc(Cl)cc21)C(F)(F)F ZINC000859429907 639140161 /nfs/dbraw/zinc/14/01/61/639140161.db2.gz NZEWMVSPFVTAND-SNVBAGLBSA-N 0 2 277.673 3.396 20 0 CGADLN CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2CCCOC2)n1 ZINC000193635962 640480716 /nfs/dbraw/zinc/48/07/16/640480716.db2.gz BBUKEYVLFSMWLW-NWDGAFQWSA-N 0 2 292.404 3.259 20 0 CGADLN Cc1csc(C(C#N)C(=O)Cc2c(F)cccc2F)n1 ZINC000088800575 640623435 /nfs/dbraw/zinc/62/34/35/640623435.db2.gz XLJOZRSPCDFHSV-JTQLQIEISA-N 0 2 292.310 3.149 20 0 CGADLN Cc1csc([C@@H](C#N)C(=O)Cc2c(F)cccc2F)n1 ZINC000088800575 640623444 /nfs/dbraw/zinc/62/34/44/640623444.db2.gz XLJOZRSPCDFHSV-JTQLQIEISA-N 0 2 292.310 3.149 20 0 CGADLN Cc1cc(Nc2ccn3cc[nH+]c3c2)ccc1C(=O)[O-] ZINC001211655064 814926319 /nfs/dbraw/zinc/92/63/19/814926319.db2.gz MAPVZJSFEJZQEH-UHFFFAOYSA-N 0 2 267.288 3.085 20 0 CGADLN O=S(=O)(Nc1cc(Cl)cs1)c1ccc(F)cc1 ZINC001251615760 805912517 /nfs/dbraw/zinc/91/25/17/805912517.db2.gz ZAGAQRLPSGKYNH-UHFFFAOYSA-N 0 2 291.756 3.341 20 0 CGADLN CCN(C)c1ccc(Nc2ccc(C(=O)[O-])c(C)c2)c[nH+]1 ZINC001211654916 814926623 /nfs/dbraw/zinc/92/66/23/814926623.db2.gz DOGVANISKDFGPS-UHFFFAOYSA-N 0 2 285.347 3.288 20 0 CGADLN Cc1ccc([C@@H](C)C(=O)Nc2ccc3nn[nH]c3c2)cc1 ZINC000153696015 799059108 /nfs/dbraw/zinc/05/91/08/799059108.db2.gz WWKJTBLHAFGBCA-LLVKDONJSA-N 0 2 280.331 3.009 20 0 CGADLN CC(C)c1oncc1NC(=O)c1conc1C(F)(F)F ZINC001120773238 802775532 /nfs/dbraw/zinc/77/55/32/802775532.db2.gz ULPVDUKZANEMHW-UHFFFAOYSA-N 0 2 289.213 3.057 20 0 CGADLN CC[C@H](C)CCNC(=O)c1cccc(Cl)c1O ZINC001130915793 803304461 /nfs/dbraw/zinc/30/44/61/803304461.db2.gz CEFVPWSDFKCGRM-VIFPVBQESA-N 0 2 255.745 3.212 20 0 CGADLN Oc1c(F)cc(-c2cncc(N3CCCC3)n2)cc1Cl ZINC001244500513 803405675 /nfs/dbraw/zinc/40/56/75/803405675.db2.gz KSORRKJFCJAZKG-UHFFFAOYSA-N 0 2 293.729 3.242 20 0 CGADLN Cn1ccc2nc(-c3cc(F)c(O)c(Cl)c3)cnc21 ZINC001244500400 803406281 /nfs/dbraw/zinc/40/62/81/803406281.db2.gz FKPPOJXKJNHOBT-UHFFFAOYSA-N 0 2 277.686 3.133 20 0 CGADLN CC(C)Oc1cc(-c2cc(F)c(O)c(Cl)c2)ncn1 ZINC001244500186 803406437 /nfs/dbraw/zinc/40/64/37/803406437.db2.gz JRZDTUYBOSMTHD-UHFFFAOYSA-N 0 2 282.702 3.429 20 0 CGADLN CCCOc1ccnc(-c2cc(F)c(O)c(Cl)c2)n1 ZINC001244501612 803407247 /nfs/dbraw/zinc/40/72/47/803407247.db2.gz ZPCVXYZNKZYSDF-UHFFFAOYSA-N 0 2 282.702 3.431 20 0 CGADLN Cc1c[nH]c2nc(-c3ccc(Cl)c(O)c3F)ncc12 ZINC001244630683 803473822 /nfs/dbraw/zinc/47/38/22/803473822.db2.gz QRSTXVDJOWHCCA-UHFFFAOYSA-N 0 2 277.686 3.383 20 0 CGADLN Oc1c(Cl)ccc(-c2cccc3n[nH]nc32)c1F ZINC001244632466 803474794 /nfs/dbraw/zinc/47/47/94/803474794.db2.gz QMDIGXAKIZXGKU-UHFFFAOYSA-N 0 2 263.659 3.123 20 0 CGADLN CCc1cc(-c2ccc(Cl)c(O)c2F)ncn1 ZINC001244631894 803474861 /nfs/dbraw/zinc/47/48/61/803474861.db2.gz XWJLZFMQYNFBKE-UHFFFAOYSA-N 0 2 252.676 3.204 20 0 CGADLN Cc1ncc(C)c(-c2cc(Cl)c(O)cc2F)n1 ZINC001245666928 803895022 /nfs/dbraw/zinc/89/50/22/803895022.db2.gz ATUVRXWUXFPMPD-UHFFFAOYSA-N 0 2 252.676 3.259 20 0 CGADLN Cc1cc(-c2cc(Cl)c(O)cc2F)nc(C)n1 ZINC001245668101 803895454 /nfs/dbraw/zinc/89/54/54/803895454.db2.gz NHORKHDDZOBKBX-UHFFFAOYSA-N 0 2 252.676 3.259 20 0 CGADLN CCOc1cc(C)nc(-c2cc(Cl)c(O)cc2F)n1 ZINC001245668664 803895733 /nfs/dbraw/zinc/89/57/33/803895733.db2.gz VFVVNSNSLRYDRC-UHFFFAOYSA-N 0 2 282.702 3.349 20 0 CGADLN CCOc1nccnc1-c1cc(Cl)c(O)cc1F ZINC001245670466 803900594 /nfs/dbraw/zinc/90/05/94/803900594.db2.gz UEDUPOCGKIIHCX-UHFFFAOYSA-N 0 2 268.675 3.040 20 0 CGADLN CCCN1N=C(c2ccc(C(F)(F)F)nc2)CC1=O ZINC001245912266 804039853 /nfs/dbraw/zinc/03/98/53/804039853.db2.gz UZLBJVURLHCBJO-UHFFFAOYSA-N 0 2 271.242 3.080 20 0 CGADLN COc1cccc(-c2cc(=O)n(-c3ccccc3F)[nH]2)c1 ZINC001245917514 804044574 /nfs/dbraw/zinc/04/45/74/804044574.db2.gz IZHNLRJLQLLKPX-UHFFFAOYSA-N 0 2 284.290 3.393 20 0 CGADLN Cc1cccc(C2=NN(c3nccs3)C(=O)C2)c1 ZINC001245918671 804045963 /nfs/dbraw/zinc/04/59/63/804045963.db2.gz WTRJEBJFKCTEMB-UHFFFAOYSA-N 0 2 257.318 3.010 20 0 CGADLN O=c1cc(-c2cccc(F)c2)[nH]n1-c1ccc2n[nH]cc2c1 ZINC001245919719 804046973 /nfs/dbraw/zinc/04/69/73/804046973.db2.gz BPUCWOXLOLKBFD-UHFFFAOYSA-N 0 2 294.289 3.260 20 0 CGADLN COc1ccc(C2=NN(c3cccc(OC)c3)C(=O)C2)cc1 ZINC001245920437 804048929 /nfs/dbraw/zinc/04/89/29/804048929.db2.gz QBJJRTGSBVMXPI-UHFFFAOYSA-N 0 2 296.326 3.262 20 0 CGADLN Cc1ccc(C2=NN(c3ncccc3F)C(=O)C2)cc1 ZINC001245921979 804050697 /nfs/dbraw/zinc/05/06/97/804050697.db2.gz YKWMFOJOUXEMEU-UHFFFAOYSA-N 0 2 269.279 3.087 20 0 CGADLN COc1ccc(-n2[nH]c(-c3ccoc3)cc2=O)c(C)c1 ZINC001245939320 804072575 /nfs/dbraw/zinc/07/25/75/804072575.db2.gz KZCKLHSCJKEPPD-UHFFFAOYSA-N 0 2 270.288 3.155 20 0 CGADLN O=C1CC(c2ccc(O)cc2)=NN1c1nc2ccccc2o1 ZINC001245940783 804074582 /nfs/dbraw/zinc/07/45/82/804074582.db2.gz BOBBGKMWBTYUEV-UHFFFAOYSA-N 0 2 293.282 3.092 20 0 CGADLN O=C1CC(c2ccc(O)cc2)=NN1c1cccc(F)c1F ZINC001245941806 804075071 /nfs/dbraw/zinc/07/50/71/804075071.db2.gz PYYBQZDZUDYEQK-UHFFFAOYSA-N 0 2 288.253 3.229 20 0 CGADLN Cc1cccc(N2N=C(c3ccccc3N)CC2=O)c1C ZINC001245946904 804079395 /nfs/dbraw/zinc/07/93/95/804079395.db2.gz NOIKOFGVQYCWMJ-UHFFFAOYSA-N 0 2 279.343 3.444 20 0 CGADLN COc1ccc(-n2[nH]c(-c3ccsc3)cc2=O)cc1 ZINC001245948849 804082574 /nfs/dbraw/zinc/08/25/74/804082574.db2.gz JXKVCTXMRPUGKI-UHFFFAOYSA-N 0 2 272.329 3.315 20 0 CGADLN Cc1cccc(-n2[nH]c(-c3ccc(C)nc3)cc2=O)c1 ZINC001245949498 804083472 /nfs/dbraw/zinc/08/34/72/804083472.db2.gz OMLYVAMWXSHMBD-UHFFFAOYSA-N 0 2 265.316 3.257 20 0 CGADLN CCc1ccccc1N1N=C(c2cccc(N)c2)CC1=O ZINC001245948920 804083650 /nfs/dbraw/zinc/08/36/50/804083650.db2.gz OQLZOKSNZDQQIP-UHFFFAOYSA-N 0 2 279.343 3.390 20 0 CGADLN C[C@H]1CN(Cc2cc(Cl)c(O)c(Cl)c2)CCC1=O ZINC001140829890 804529906 /nfs/dbraw/zinc/52/99/06/804529906.db2.gz MMMOZPXDZSHIID-QMMMGPOBSA-N 0 2 288.174 3.110 20 0 CGADLN C[C@@H]1CN(Cc2cc(Cl)c(O)c(Cl)c2)[C@H](C)CO1 ZINC001140832784 804531777 /nfs/dbraw/zinc/53/17/77/804531777.db2.gz JBVPCDYNUTVGGT-RKDXNWHRSA-N 0 2 290.190 3.308 20 0 CGADLN CC(C)(C)c1nnc(Nc2cc(F)cc(F)c2O)o1 ZINC001212478179 815033980 /nfs/dbraw/zinc/03/39/80/815033980.db2.gz ZLCXLGGRUPRGSM-UHFFFAOYSA-N 0 2 269.251 3.095 20 0 CGADLN Oc1cc(F)c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1F ZINC001144667629 805032290 /nfs/dbraw/zinc/03/22/90/805032290.db2.gz XFPROAFJUMSDGB-GFCCVEGCSA-N 0 2 290.313 3.055 20 0 CGADLN Oc1cc(F)c(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1F ZINC001144667629 805032300 /nfs/dbraw/zinc/03/23/00/805032300.db2.gz XFPROAFJUMSDGB-GFCCVEGCSA-N 0 2 290.313 3.055 20 0 CGADLN O=C(Cc1ccc(C2CC2)cc1)Nc1ccc2nn[nH]c2c1 ZINC001144719555 805038401 /nfs/dbraw/zinc/03/84/01/805038401.db2.gz OEWIIIJLEHJBHK-UHFFFAOYSA-N 0 2 292.342 3.017 20 0 CGADLN CSc1ccccc1[N-]C(=S)Nc1cc[nH+]c(C)c1 ZINC001249684552 805211084 /nfs/dbraw/zinc/21/10/84/805211084.db2.gz URMRYLXNEALETG-UHFFFAOYSA-N 0 2 289.429 3.343 20 0 CGADLN CC[C@H](C)S(=O)(=O)Nc1nc2c(cccc2C)s1 ZINC001260724906 807699902 /nfs/dbraw/zinc/69/99/02/807699902.db2.gz SKHZSMKLOLMINO-VIFPVBQESA-N 0 2 284.406 3.145 20 0 CGADLN O=C([O-])c1ccc(Nc2cccc3[nH+]c[nH]c32)cc1 ZINC001213032565 815207095 /nfs/dbraw/zinc/20/70/95/815207095.db2.gz MGTUVBHHHDNYRT-UHFFFAOYSA-N 0 2 253.261 3.005 20 0 CGADLN CCCc1nccnc1NC(=O)c1cccc(Cl)c1O ZINC001279103921 809164984 /nfs/dbraw/zinc/16/49/84/809164984.db2.gz NKDWTMLNOJOQHG-UHFFFAOYSA-N 0 2 291.738 3.040 20 0 CGADLN O=C([O-])c1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC001174807870 809167582 /nfs/dbraw/zinc/16/75/82/809167582.db2.gz PVVXULNUKLFRMI-UHFFFAOYSA-N 0 2 285.328 3.376 20 0 CGADLN CC(C)(NC(=O)c1cccc(Cl)c1O)[C@@H]1CCCCO1 ZINC001288206931 809355200 /nfs/dbraw/zinc/35/52/00/809355200.db2.gz BLDOQFLWJOILDS-LBPRGKRZSA-N 0 2 297.782 3.123 20 0 CGADLN Cc1ccc2c(Nc3cncc(C(=O)[O-])c3)cccc2[nH+]1 ZINC001175843758 809554918 /nfs/dbraw/zinc/55/49/18/809554918.db2.gz ULOJPAVJWHEGQX-UHFFFAOYSA-N 0 2 279.299 3.380 20 0 CGADLN Cc1nc(NS(=O)(=O)c2ccc(C3CC3)cc2)cs1 ZINC001190480234 810629937 /nfs/dbraw/zinc/62/99/37/810629937.db2.gz FHNQWJVTSYQSER-UHFFFAOYSA-N 0 2 294.401 3.130 20 0 CGADLN COc1ccc(OC(=O)Nc2ccc(F)c(F)c2O)cc1 ZINC001194540164 811088054 /nfs/dbraw/zinc/08/80/54/811088054.db2.gz BWADJDZVPNFCAG-UHFFFAOYSA-N 0 2 295.241 3.290 20 0 CGADLN Cc1cncc(NS(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195271699 811235961 /nfs/dbraw/zinc/23/59/61/811235961.db2.gz PEKFDSHOSPHFLT-UHFFFAOYSA-N 0 2 296.779 3.153 20 0 CGADLN Cc1cn2cccc(Nc3ccsc3C(=O)[O-])c2[nH+]1 ZINC001215387054 815514191 /nfs/dbraw/zinc/51/41/91/815514191.db2.gz OQQQHERRSJIELK-UHFFFAOYSA-N 0 2 273.317 3.146 20 0 CGADLN Cc1cc(C)c(Nc2cc(F)c(F)c(C(=O)[O-])c2)c[nH+]1 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KPCCXCVIPVUANG-CVEARBPZSA-N 0 2 291.391 3.391 20 0 CGADLN CCCC[C@H]([NH2+]c1ccc(C)cc1OCC)C(=O)[O-] ZINC000736980722 572830905 /nfs/dbraw/zinc/83/09/05/572830905.db2.gz BIJZWZJQHGGTGF-ZDUSSCGKSA-N 0 2 265.353 3.449 20 0 CGADLN O=C([O-])CC[N@H+](C/C(Cl)=C/Cl)Cc1ccccc1 ZINC000701255083 602035684 /nfs/dbraw/zinc/03/56/84/602035684.db2.gz WXUKUJIJXFSIRC-WQLSENKSSA-N 0 2 288.174 3.282 20 0 CGADLN O=C([O-])CC[N@@H+](C/C(Cl)=C/Cl)Cc1ccccc1 ZINC000701255083 602035687 /nfs/dbraw/zinc/03/56/87/602035687.db2.gz WXUKUJIJXFSIRC-WQLSENKSSA-N 0 2 288.174 3.282 20 0 CGADLN O=C(NNc1ccccc1)c1c(O)cc(Cl)cc1Cl ZINC000080001461 617779111 /nfs/dbraw/zinc/77/91/11/617779111.db2.gz MZTAGCHBRASTMT-UHFFFAOYSA-N 0 2 297.141 3.456 20 0 CGADLN Cc1cc(F)cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000166197258 618902748 /nfs/dbraw/zinc/90/27/48/618902748.db2.gz LXSPTQRVBISHDO-UHFFFAOYSA-N 0 2 290.250 3.000 20 0 CGADLN CCC[C@@H]1SCCN1C(=O)c1cccc(Cl)c1O ZINC000775746736 619100045 /nfs/dbraw/zinc/10/00/45/619100045.db2.gz MQAJIQCBRLBXDP-NSHDSACASA-N 0 2 285.796 3.361 20 0 CGADLN CSC1(CNC(=O)C(F)C(F)(F)F)CCCCC1 ZINC000894563768 619575328 /nfs/dbraw/zinc/57/53/28/619575328.db2.gz WIRBBFBZQTYKOO-QMMMGPOBSA-N 0 2 287.322 3.069 20 0 CGADLN CSC1(CNC(=O)[C@H](F)C(F)(F)F)CCCCC1 ZINC000894563768 619575329 /nfs/dbraw/zinc/57/53/29/619575329.db2.gz WIRBBFBZQTYKOO-QMMMGPOBSA-N 0 2 287.322 3.069 20 0 CGADLN CCCCC1=NN(c2cccc(Cl)n2)C(=O)[C@H]1C ZINC000871951739 620270980 /nfs/dbraw/zinc/27/09/80/620270980.db2.gz SOCWPOURDBDOQW-VIFPVBQESA-N 0 2 265.744 3.264 20 0 CGADLN O=C(c1cccc(Cl)c1O)N1CCC=C(Cl)C1 ZINC000898196567 620493745 /nfs/dbraw/zinc/49/37/45/620493745.db2.gz UCWOWOXGBSFQFX-UHFFFAOYSA-N 0 2 272.131 3.014 20 0 CGADLN CSc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)o1 ZINC000901908223 621066410 /nfs/dbraw/zinc/06/64/10/621066410.db2.gz QWLBTIXINFZDBS-SSDOTTSWSA-N 0 2 298.389 3.007 20 0 CGADLN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000902020326 621106117 /nfs/dbraw/zinc/10/61/17/621106117.db2.gz YYQAALIBHPQWIE-NSHDSACASA-N 0 2 298.452 3.372 20 0 CGADLN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000902020326 621106121 /nfs/dbraw/zinc/10/61/21/621106121.db2.gz YYQAALIBHPQWIE-NSHDSACASA-N 0 2 298.452 3.372 20 0 CGADLN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000903698439 621791753 /nfs/dbraw/zinc/79/17/53/621791753.db2.gz USPJTLWSSJVNGA-GFCCVEGCSA-N 0 2 297.782 3.265 20 0 CGADLN O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000903698439 621791756 /nfs/dbraw/zinc/79/17/56/621791756.db2.gz USPJTLWSSJVNGA-GFCCVEGCSA-N 0 2 297.782 3.265 20 0 CGADLN C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC(F)(F)C(=O)[O-] ZINC000904032931 621856394 /nfs/dbraw/zinc/85/63/94/621856394.db2.gz ZEOUHOICAZROBM-TWGQIWQCSA-N 0 2 289.709 3.053 20 0 CGADLN O=C(c1cccc(Cl)c1O)N1CC=CC12CCCC2 ZINC000913202973 622738771 /nfs/dbraw/zinc/73/87/71/622738771.db2.gz OLWJQSARDSHJNI-UHFFFAOYSA-N 0 2 277.751 3.370 20 0 CGADLN CC[C@@H](C)CONC(=O)Cc1nc(C(C)C)c(C)s1 ZINC000816977171 625600294 /nfs/dbraw/zinc/60/02/94/625600294.db2.gz SPFQAPXVVCQKBI-SNVBAGLBSA-N 0 2 284.425 3.211 20 0 CGADLN O=C([O-])c1ccc[nH+]c1N1CCC[C@@H]1c1ccsc1 ZINC000917071545 624234166 /nfs/dbraw/zinc/23/41/66/624234166.db2.gz VKXDFTSNIUCARB-GFCCVEGCSA-N 0 2 274.345 3.183 20 0 CGADLN Cc1cccc(F)c1CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000762610874 627117443 /nfs/dbraw/zinc/11/74/43/627117443.db2.gz FKFWSXQRDQYCNZ-UHFFFAOYSA-N 0 2 295.260 3.048 20 0 CGADLN Cc1ccc2c(c1)CCN2C(=O)c1cc(F)c(O)c(F)c1 ZINC000762621634 627117895 /nfs/dbraw/zinc/11/78/95/627117895.db2.gz BWCVAAYOSIBMJX-UHFFFAOYSA-N 0 2 289.281 3.182 20 0 CGADLN CC(C)N(Cc1ccccc1)C(=O)C(F)C(F)(F)F ZINC000764096783 627194147 /nfs/dbraw/zinc/19/41/47/627194147.db2.gz GIVTXFLATMHJIK-NSHDSACASA-N 0 2 277.261 3.324 20 0 CGADLN CC(C)N(Cc1ccccc1)C(=O)[C@H](F)C(F)(F)F ZINC000764096783 627194151 /nfs/dbraw/zinc/19/41/51/627194151.db2.gz GIVTXFLATMHJIK-NSHDSACASA-N 0 2 277.261 3.324 20 0 CGADLN CN(C(=O)C(F)C(F)(F)F)C1CCCCCC1 ZINC000764099401 627194386 /nfs/dbraw/zinc/19/43/86/627194386.db2.gz RQWOLGJINQZBTB-SECBINFHSA-N 0 2 255.255 3.068 20 0 CGADLN CN(C(=O)[C@@H](F)C(F)(F)F)C1CCCCCC1 ZINC000764099401 627194388 /nfs/dbraw/zinc/19/43/88/627194388.db2.gz RQWOLGJINQZBTB-SECBINFHSA-N 0 2 255.255 3.068 20 0 CGADLN O=C(C(F)C(F)(F)F)N(CC1CC1)C1CCCCC1 ZINC000764479902 627209147 /nfs/dbraw/zinc/20/91/47/627209147.db2.gz NVYFTUKJUFTOPK-NSHDSACASA-N 0 2 281.293 3.458 20 0 CGADLN O=C([C@H](F)C(F)(F)F)N(CC1CC1)C1CCCCC1 ZINC000764479902 627209149 /nfs/dbraw/zinc/20/91/49/627209149.db2.gz NVYFTUKJUFTOPK-NSHDSACASA-N 0 2 281.293 3.458 20 0 CGADLN O=C(NCC1C2CC3CC(C2)CC1C3)C(F)C(F)(F)F ZINC000764623234 627215214 /nfs/dbraw/zinc/21/52/14/627215214.db2.gz IJTZEBPEIQRTCG-ZVSPKCCMSA-N 0 2 293.304 3.075 20 0 CGADLN O=C(NCC1C2CC3CC(C2)CC1C3)[C@H](F)C(F)(F)F ZINC000764623234 627215217 /nfs/dbraw/zinc/21/52/17/627215217.db2.gz IJTZEBPEIQRTCG-ZVSPKCCMSA-N 0 2 293.304 3.075 20 0 CGADLN C[C@@H](CCC1CC1)NC(=O)c1cccc(Cl)c1O ZINC000769644229 627570954 /nfs/dbraw/zinc/57/09/54/627570954.db2.gz GGOWYNLDIHEBDA-VIFPVBQESA-N 0 2 267.756 3.354 20 0 CGADLN COc1cccc(Cl)c1CC(=O)NOc1ccccc1 ZINC000773462051 627885877 /nfs/dbraw/zinc/88/58/77/627885877.db2.gz RHYHTFZNDOOQFA-UHFFFAOYSA-N 0 2 291.734 3.001 20 0 CGADLN CC(C)(C)CCNC(=O)c1cccc(Cl)c1O ZINC000775658210 628120997 /nfs/dbraw/zinc/12/09/97/628120997.db2.gz HHENRSPQGRZBCJ-UHFFFAOYSA-N 0 2 255.745 3.212 20 0 CGADLN CCN(CCC(F)(F)F)C(=O)c1cccc(Cl)c1O ZINC000775684293 628125581 /nfs/dbraw/zinc/12/55/81/628125581.db2.gz DFMMXJUFEYUEBP-UHFFFAOYSA-N 0 2 295.688 3.460 20 0 CGADLN CC(C)(C)SCCNC(=O)c1cccc(Cl)c1O ZINC000775699735 628126606 /nfs/dbraw/zinc/12/66/06/628126606.db2.gz CTEIECKMUSPDGU-UHFFFAOYSA-N 0 2 287.812 3.307 20 0 CGADLN CS[C@H]1CCC[C@@H](NC(=O)c2cccc(Cl)c2O)C1 ZINC000775748483 628132557 /nfs/dbraw/zinc/13/25/57/628132557.db2.gz CETGTFLWJKXNGV-ZJUUUORDSA-N 0 2 299.823 3.450 20 0 CGADLN COc1ccccc1C1(C(=O)NOC2CCCCC2)CC1 ZINC000779323734 628408076 /nfs/dbraw/zinc/40/80/76/628408076.db2.gz VEDJOVUXRHOXSR-UHFFFAOYSA-N 0 2 289.375 3.107 20 0 CGADLN O=C(NOC/C=C\Cl)C1(c2ccc(F)cc2)CCCC1 ZINC000794293806 629531000 /nfs/dbraw/zinc/53/10/00/629531000.db2.gz BWYWDDAEVQTYBQ-KMKOMSMNSA-N 0 2 297.757 3.438 20 0 CGADLN CCOc1ccc(SCC(=O)NOC[C@@H](C)CC)cc1 ZINC000794849345 629587636 /nfs/dbraw/zinc/58/76/36/629587636.db2.gz GCTJDHUQJJPJCT-LBPRGKRZSA-N 0 2 297.420 3.271 20 0 CGADLN CC[C@@H](C)CONC(=O)CSCc1ccc(F)cc1 ZINC000794868377 629592255 /nfs/dbraw/zinc/59/22/55/629592255.db2.gz BKQMUJVLZYGAIA-LLVKDONJSA-N 0 2 285.384 3.153 20 0 CGADLN O=C(N[C@H]1CCc2ccc(Cl)cc21)C(F)C(F)(F)F ZINC000863634737 629626734 /nfs/dbraw/zinc/62/67/34/629626734.db2.gz CTTCANBMIOUQMT-VHSXEESVSA-N 0 2 295.663 3.344 20 0 CGADLN O=C(N[C@H]1CCc2ccc(Cl)cc21)[C@@H](F)C(F)(F)F ZINC000863634737 629626738 /nfs/dbraw/zinc/62/67/38/629626738.db2.gz CTTCANBMIOUQMT-VHSXEESVSA-N 0 2 295.663 3.344 20 0 CGADLN Oc1c(Cl)cccc1-c1nc(Cc2cncs2)no1 ZINC000796131446 629747548 /nfs/dbraw/zinc/74/75/48/629747548.db2.gz RQWGGTLRRHJXET-UHFFFAOYSA-N 0 2 293.735 3.143 20 0 CGADLN CC(C)ONC(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000836798947 634804867 /nfs/dbraw/zinc/80/48/67/634804867.db2.gz QAHOQBUAZWRBQX-UHFFFAOYSA-N 0 2 283.318 3.233 20 0 CGADLN O=C(c1cccc(Cl)c1O)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000836883991 634822810 /nfs/dbraw/zinc/82/28/10/634822810.db2.gz DATLZLZPCQDJKE-TZMCWYRMSA-N 0 2 291.778 3.306 20 0 CGADLN CC1(C)CN(C(=O)C(F)C(F)(F)F)[C@H]1c1ccccc1 ZINC000810197357 630852991 /nfs/dbraw/zinc/85/29/91/630852991.db2.gz WELLNASCCZULBD-MNOVXSKESA-N 0 2 289.272 3.497 20 0 CGADLN CC1(C)CN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1c1ccccc1 ZINC000810197357 630852994 /nfs/dbraw/zinc/85/29/94/630852994.db2.gz WELLNASCCZULBD-MNOVXSKESA-N 0 2 289.272 3.497 20 0 CGADLN Cc1cccc([C@@H](C)CNC(=O)C(F)C(F)(F)F)c1 ZINC000810432478 630877214 /nfs/dbraw/zinc/87/72/14/630877214.db2.gz ABUUSJHPBZOPNE-GXSJLCMTSA-N 0 2 277.261 3.115 20 0 CGADLN Cc1cccc([C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F)c1 ZINC000810432478 630877216 /nfs/dbraw/zinc/87/72/16/630877216.db2.gz ABUUSJHPBZOPNE-GXSJLCMTSA-N 0 2 277.261 3.115 20 0 CGADLN CC(C)(C(=O)NOC1CCC1)c1ccc(Cl)cc1F ZINC000812794475 631313838 /nfs/dbraw/zinc/31/38/38/631313838.db2.gz FXEYLIDPRPYNII-UHFFFAOYSA-N 0 2 285.746 3.357 20 0 CGADLN CCC1=NN(c2ncnc(Cl)c2C(C)C)C(=O)[C@H]1C ZINC000871956769 633927177 /nfs/dbraw/zinc/92/71/77/633927177.db2.gz CGQRFLQTPQYQMK-QMMMGPOBSA-N 0 2 280.759 3.002 20 0 CGADLN O=C(NOC1CCCC1)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC000879385762 635775185 /nfs/dbraw/zinc/77/51/85/635775185.db2.gz RJRZBQHVLOIYEZ-SAZUREKKSA-N 0 2 277.339 3.047 20 0 CGADLN CC(C)[C@@H](NC(=O)C(F)(F)F)c1ccccc1F ZINC000849440014 636822788 /nfs/dbraw/zinc/82/27/88/636822788.db2.gz KWNSVCGTABFGCD-SNVBAGLBSA-N 0 2 263.234 3.201 20 0 CGADLN CCC[C@@](C)(NC(=O)Cc1[nH]c[nH+]c1C)c1ccccc1 ZINC000889481535 638036821 /nfs/dbraw/zinc/03/68/21/638036821.db2.gz CPUDEDFDHMWSEA-QGZVFWFLSA-N 0 2 285.391 3.092 20 0 CGADLN O=C(NOCC1CCC1)C1(c2ccccc2)CCCC1 ZINC000856346402 638347793 /nfs/dbraw/zinc/34/77/93/638347793.db2.gz YXMPABFHHIUQPJ-UHFFFAOYSA-N 0 2 273.376 3.346 20 0 CGADLN C[S@](=O)(=NC(=O)c1ccc(O)cc1F)C1CCCCC1 ZINC000926020449 638676597 /nfs/dbraw/zinc/67/65/97/638676597.db2.gz UIBMQQZROPGAKI-HXUWFJFHSA-N 0 2 299.367 3.102 20 0 CGADLN CCOc1cc[nH+]cc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211650187 814925485 /nfs/dbraw/zinc/92/54/85/814925485.db2.gz UMHYXWBCDASJIY-UHFFFAOYSA-N 0 2 272.304 3.231 20 0 CGADLN Oc1cnc(Cl)cc1-c1nnc(-c2ccc(F)cc2)o1 ZINC001252240021 806033772 /nfs/dbraw/zinc/03/37/72/806033772.db2.gz PWCYSPNHKXLDFH-UHFFFAOYSA-N 0 2 291.669 3.297 20 0 CGADLN Oc1c(Br)cccc1-c1nnc(C2CCC2)o1 ZINC001255245929 806583020 /nfs/dbraw/zinc/58/30/20/806583020.db2.gz FWSWKICFSCPPCN-UHFFFAOYSA-N 0 2 295.136 3.472 20 0 CGADLN O=C(Nc1ncccc1Cl)c1cccc(Cl)c1O ZINC001127752854 803157873 /nfs/dbraw/zinc/15/78/73/803157873.db2.gz ZVECZAGHWYDPSE-UHFFFAOYSA-N 0 2 283.114 3.346 20 0 CGADLN CCOC(=O)c1ccc(-c2cc(F)c(O)c(Cl)c2)cn1 ZINC001244501004 803405929 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293.326 3.083 20 0 CGADLN Cc1ccc(CCCC(=O)N=c2ccc(C3CC3)n[nH]2)cc1 ZINC000341210059 377446663 /nfs/dbraw/zinc/44/66/63/377446663.db2.gz RBGSUBFVRXCPGG-UHFFFAOYSA-N 0 2 295.386 3.046 20 0 CGADLN C[C@]1(C(=O)[O-])CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000263428826 377934974 /nfs/dbraw/zinc/93/49/74/377934974.db2.gz SCBLOQUGFOHGRL-HNNXBMFYSA-N 0 2 290.750 3.189 20 0 CGADLN O=C(Nc1ccc(F)c(C2CC2)c1)c1ccc2[nH]nnc2c1 ZINC000343901054 378129985 /nfs/dbraw/zinc/12/99/85/378129985.db2.gz DJRZKNBNOVXQDS-UHFFFAOYSA-N 0 2 296.305 3.227 20 0 CGADLN CCN(C(=O)c1cc(F)cc(Cl)c1O)C(C)C ZINC000269228529 378198798 /nfs/dbraw/zinc/19/87/98/378198798.db2.gz XEHOZWOTHFPQAR-UHFFFAOYSA-N 0 2 259.708 3.055 20 0 CGADLN C[C@H](NC(=O)C(F)(F)C(F)F)c1cccc(F)c1F ZINC000270876625 378408943 /nfs/dbraw/zinc/40/89/43/378408943.db2.gz DDUGKKJIQDTOSG-YFKPBYRVSA-N 0 2 285.187 3.042 20 0 CGADLN Cc1ccc(C[C@H](C)NC(=O)[C@H](F)C(F)(F)F)s1 ZINC000277320394 379129959 /nfs/dbraw/zinc/12/99/59/379129959.db2.gz CBRJJUQPSIJNRK-RCOVLWMOSA-N 0 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ABQFLLWZDYGJBL-SNVBAGLBSA-N 0 2 282.800 3.124 20 0 CGADLN C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266917023 190290809 /nfs/dbraw/zinc/29/08/09/190290809.db2.gz KUZRDKYHEKGDSF-CHWSQXEVSA-N 0 2 273.355 3.489 20 0 CGADLN Cc1cccc([C@@H]([NH2+]Cc2ccc(Cl)o2)C(=O)[O-])c1C ZINC000417559263 380638789 /nfs/dbraw/zinc/63/87/89/380638789.db2.gz HTFYPLPDDDOXKK-CQSZACIVSA-N 0 2 293.750 3.465 20 0 CGADLN CC(C)Cc1nsc(N[C@@H](C)CCc2ccco2)n1 ZINC000355437131 380673215 /nfs/dbraw/zinc/67/32/15/380673215.db2.gz BMCGTDUDENBNIV-NSHDSACASA-N 0 2 279.409 3.185 20 0 CGADLN Cc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1 ZINC000357537196 381200993 /nfs/dbraw/zinc/20/09/93/381200993.db2.gz NKTZVYFRYZEENZ-UHFFFAOYSA-N 0 2 283.299 3.074 20 0 CGADLN CCCc1nsc(N[C@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC000360065658 381433322 /nfs/dbraw/zinc/43/33/22/381433322.db2.gz KDGJXQKMABBWSV-KWQFWETISA-N 0 2 295.358 3.159 20 0 CGADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)C1CC1 ZINC000361352489 381714111 /nfs/dbraw/zinc/71/41/11/381714111.db2.gz DXTRHZAWRGKYQV-UHFFFAOYSA-N 0 2 297.145 3.127 20 0 CGADLN CC[C@@H](C)CC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000479627476 535471484 /nfs/dbraw/zinc/47/14/84/535471484.db2.gz FTWVAMARMXTDND-SNVBAGLBSA-N 0 2 275.377 3.002 20 0 CGADLN C[C@@H]1CCC[C@@H](CNC(=O)C2(C)CCC(=O)CC2)C1 ZINC000335242773 208010172 /nfs/dbraw/zinc/01/01/72/208010172.db2.gz XBBPXDUXOXIKIY-CHWSQXEVSA-N 0 2 265.397 3.078 20 0 CGADLN Cc1ccsc1-c1nc(=NC(=O)CCC2CC2)s[nH]1 ZINC000350360610 219009706 /nfs/dbraw/zinc/00/97/06/219009706.db2.gz BKIRCHZDTJURMM-UHFFFAOYSA-N 0 2 293.417 3.126 20 0 CGADLN C[C@H](C1CCC1)N(C)C(=O)c1cc(F)cc(Cl)c1O ZINC000436713953 533584639 /nfs/dbraw/zinc/58/46/39/533584639.db2.gz DNOUOYZNSVNCTF-MRVPVSSYSA-N 0 2 285.746 3.445 20 0 CGADLN CC[C@@H](C)CC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000361950157 392373264 /nfs/dbraw/zinc/37/32/64/392373264.db2.gz ATYBSLWOGKYCTQ-MRVPVSSYSA-N 0 2 294.305 3.125 20 0 CGADLN CC(C)(C)c1nc(=NCc2ncoc2-c2ccccc2)[nH]o1 ZINC000371977218 392571926 /nfs/dbraw/zinc/57/19/26/392571926.db2.gz FQMGLNFQPYWKGA-UHFFFAOYSA-N 0 2 298.346 3.056 20 0 CGADLN O=C([O-])c1ccc(NCC2(c3ccc(F)cc3)CC2)[nH+]c1 ZINC000647448429 392723632 /nfs/dbraw/zinc/72/36/32/392723632.db2.gz KBPRAIGUGXFSRY-UHFFFAOYSA-N 0 2 286.306 3.063 20 0 CGADLN CO[C@H](C)c1nsc(NC[C@H](C)c2ccc(F)cc2)n1 ZINC000509686015 392768350 /nfs/dbraw/zinc/76/83/50/392768350.db2.gz YREQPTFQTQMDJH-VHSXEESVSA-N 0 2 295.383 3.022 20 0 CGADLN CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000458134405 392821860 /nfs/dbraw/zinc/82/18/60/392821860.db2.gz PPSCEFXKGFRPLL-BXUZGUMPSA-N 0 2 285.746 3.349 20 0 CGADLN C[C@@H](CN=c1nc(C(C)(C)C)o[nH]1)c1ccccc1 ZINC000546760607 393073939 /nfs/dbraw/zinc/07/39/39/393073939.db2.gz CKCZJBAGABOKPU-NSHDSACASA-N 0 2 259.353 3.005 20 0 CGADLN O=S(=O)(Nc1cccc2cc[nH]c21)c1ccccc1F ZINC000547822469 393152375 /nfs/dbraw/zinc/15/23/75/393152375.db2.gz MJEWEOMLRPJBLA-UHFFFAOYSA-N 0 2 290.319 3.108 20 0 CGADLN CCc1nsc(N[C@H]2CC[C@@H](c3ccccc3F)C2)n1 ZINC000360272190 393562864 /nfs/dbraw/zinc/56/28/64/393562864.db2.gz BNZIFPOZHIIABT-MNOVXSKESA-N 0 2 291.395 3.410 20 0 CGADLN Cc1nc([C@H](C)N=c2nc(C(C)(C)C)[nH]s2)cs1 ZINC000489559673 393603843 /nfs/dbraw/zinc/60/38/43/393603843.db2.gz YETBCPPMGNQANU-ZETCQYMHSA-N 0 2 282.438 3.196 20 0 CGADLN Cc1cnc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)o1 ZINC000443358038 393753814 /nfs/dbraw/zinc/75/38/14/393753814.db2.gz PCZDJJIESZVZBA-UHFFFAOYSA-N 0 2 294.376 3.018 20 0 CGADLN Clc1ccc([C@H]2CC[N@@H+]2Cc2cnn3c2CCC3)cc1 ZINC000667672262 542914316 /nfs/dbraw/zinc/91/43/16/542914316.db2.gz PUHYFLYBIWAYBT-OAHLLOKOSA-N 0 2 287.794 3.430 20 0 CGADLN CC[C@H](C(=O)[O-])N(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000650777699 397917595 /nfs/dbraw/zinc/91/75/95/397917595.db2.gz OQFHYUKCKNXZKY-GFCCVEGCSA-N 0 2 279.384 3.023 20 0 CGADLN FC(F)(F)c1nsc(NCCCc2cccs2)n1 ZINC000553469938 289226166 /nfs/dbraw/zinc/22/61/66/289226166.db2.gz YGCYZUYFVIFYOP-UHFFFAOYSA-N 0 2 293.339 3.085 20 0 CGADLN C[C@@]1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCCO1 ZINC000130160689 297873955 /nfs/dbraw/zinc/87/39/55/297873955.db2.gz LQURJAWVPKGDIG-LBPRGKRZSA-N 0 2 290.146 3.207 20 0 CGADLN CC[C@@H]1CCCCCN1C(=O)c1cc(F)c(O)c(F)c1 ZINC000186827743 286995830 /nfs/dbraw/zinc/99/58/30/286995830.db2.gz TZTKUWSKKQFNRC-LLVKDONJSA-N 0 2 283.318 3.465 20 0 CGADLN CC(C)Cc1cccc([C@@H](C)C(=O)NCc2ccnn2C)c1 ZINC000285170306 196211992 /nfs/dbraw/zinc/21/19/92/196211992.db2.gz NECQYMJWCOBHPP-CQSZACIVSA-N 0 2 299.418 3.039 20 0 CGADLN CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(F)c(F)c(O)c1F ZINC000335328322 287278695 /nfs/dbraw/zinc/27/86/95/287278695.db2.gz LMQFMCCTAOHHMJ-HTQZYQBOSA-N 0 2 287.281 3.070 20 0 CGADLN Cc1ccccc1NC(=O)c1c(O)cc(F)cc1F ZINC000049446218 416472131 /nfs/dbraw/zinc/47/21/31/416472131.db2.gz UMPITIUDIZTPBK-UHFFFAOYSA-N 0 2 263.243 3.231 20 0 CGADLN O=C([O-])c1cc(N[C@H]2CCCc3ccccc32)cc[nH+]1 ZINC000051633105 416478318 /nfs/dbraw/zinc/47/83/18/416478318.db2.gz NHNCTIALGKJEPZ-AWEZNQCLSA-N 0 2 268.316 3.269 20 0 CGADLN O=C([O-])c1cc(N[C@H]2CCCc3sccc32)cc[nH+]1 ZINC000061368044 416485353 /nfs/dbraw/zinc/48/53/53/416485353.db2.gz AOPMEPWXIHIEMR-NSHDSACASA-N 0 2 274.345 3.331 20 0 CGADLN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2c(O)cc(F)cc2F)C1 ZINC000682815249 543870572 /nfs/dbraw/zinc/87/05/72/543870572.db2.gz TVNZBUWWQOTZDM-BBBLOLIVSA-N 0 2 283.318 3.177 20 0 CGADLN CCCC[C@@H]([NH2+]c1ccc(C)cc1OCC)C(=O)[O-] ZINC000736980719 572830828 /nfs/dbraw/zinc/83/08/28/572830828.db2.gz BIJZWZJQHGGTGF-CYBMUJFWSA-N 0 2 265.353 3.449 20 0 CGADLN C[N@H+](CC1CCCC1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660760203 419191861 /nfs/dbraw/zinc/19/18/61/419191861.db2.gz FWYGGTUTJNEYHA-OAHLLOKOSA-N 0 2 270.380 3.016 20 0 CGADLN Cc1cc2ccccc2[nH+]c1NC[C@H](CC(=O)[O-])C1CC1 ZINC000656783491 419218342 /nfs/dbraw/zinc/21/83/42/419218342.db2.gz KLVXEAQAADUEGN-AWEZNQCLSA-N 0 2 284.359 3.456 20 0 CGADLN C[C@H]1CC(F)(F)CCN1Cc1nc(=O)c2sccc2[nH]1 ZINC000528768639 270172007 /nfs/dbraw/zinc/17/20/07/270172007.db2.gz MBSLZSLYZDAKGF-QMMMGPOBSA-N 0 2 299.346 3.017 20 0 CGADLN O=C(NCC[C@@H]1CC=CCC1)c1cc(F)c(F)c(O)c1F ZINC000529870568 270190515 /nfs/dbraw/zinc/19/05/15/270190515.db2.gz VENRZKVDHDRVDU-SECBINFHSA-N 0 2 299.292 3.286 20 0 CGADLN Cc1cc(=NC(=O)N(CC(C)C)CC(C)(C)C)[nH]nc1C ZINC000532391240 270216151 /nfs/dbraw/zinc/21/61/51/270216151.db2.gz BHHLYHKNZRPOMC-UHFFFAOYSA-N 0 2 292.427 3.051 20 0 CGADLN CC1(C)CN(C(=O)c2cc(F)c(O)c(Cl)c2)[C@@H]1C1CC1 ZINC000336144084 281218529 /nfs/dbraw/zinc/21/85/29/281218529.db2.gz NLJFGTLUDUMQNP-CYBMUJFWSA-N 0 2 297.757 3.445 20 0 CGADLN CC1(C)CC[C@@H]([NH2+][C@@H](c2cccs2)c2nnc[nH]2)C1 ZINC000551086714 289098620 /nfs/dbraw/zinc/09/86/20/289098620.db2.gz BENMEGDCFFPLAZ-PWSUYJOCSA-N 0 2 276.409 3.124 20 0 CGADLN CC(C)Cc1nsc(NCC(C)(C)C(F)(F)F)n1 ZINC000554694852 289300596 /nfs/dbraw/zinc/30/05/96/289300596.db2.gz NHNOZSZPQNGHHU-UHFFFAOYSA-N 0 2 281.347 3.159 20 0 CGADLN C[C@@H]1C[C@@H](CCN=c2[nH]nc(C(C)(C)C)s2)C[C@H](C)O1 ZINC000554933130 289319828 /nfs/dbraw/zinc/31/98/28/289319828.db2.gz CNIJFTWEEWTBGQ-ZSBIGDGJSA-N 0 2 297.468 3.263 20 0 CGADLN CONC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000187632769 293371466 /nfs/dbraw/zinc/37/14/66/293371466.db2.gz KETZJURGMKVGLS-UHFFFAOYSA-N 0 2 293.672 3.068 20 0 CGADLN C[C@@H]1C[C@H](C)N(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000334417518 297366469 /nfs/dbraw/zinc/36/64/69/297366469.db2.gz QZWAAZBYFQYBLL-SFYZADRCSA-N 0 2 271.719 3.055 20 0 CGADLN Cc1cc2ccccc2[nH+]c1N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263266073 301460605 /nfs/dbraw/zinc/46/06/05/301460605.db2.gz VLMSBRXQQFCOMP-RISCZKNCSA-N 0 2 284.359 3.090 20 0 CGADLN Cc1cccc2c(=O)c(C(=O)N3CC[C@H](C)[C@@H]3C)c[nH]c12 ZINC000164473220 302054118 /nfs/dbraw/zinc/05/41/18/302054118.db2.gz NPMHXRZJOMVFFC-JQWIXIFHSA-N 0 2 284.359 3.119 20 0 CGADLN CC(C)c1n[nH]c(=NCCc2ccc3[nH]ccc3c2)s1 ZINC000564791145 322042989 /nfs/dbraw/zinc/04/29/89/322042989.db2.gz XWNAJSANLYHLTJ-UHFFFAOYSA-N 0 2 286.404 3.219 20 0 CGADLN 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/nfs/dbraw/zinc/69/53/69/543695369.db2.gz SHTIOJXIIAPXRF-JTQLQIEISA-N 0 2 281.302 3.099 20 0 CGADLN C[N@H+](CCOC(C)(C)C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680328714 543697528 /nfs/dbraw/zinc/69/75/28/543697528.db2.gz LFRMLPMWRRMXCL-UHFFFAOYSA-N 0 2 293.436 3.181 20 0 CGADLN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000130449185 287355929 /nfs/dbraw/zinc/35/59/29/287355929.db2.gz FXWPUDHEJJAVHR-ZYHUDNBSSA-N 0 2 282.790 3.194 20 0 CGADLN C[C@H]1CC2(CCC2)CN1C(=O)c1c(O)cc(F)cc1F ZINC000683346444 543910053 /nfs/dbraw/zinc/91/00/53/543910053.db2.gz VSBXNYWFWVEIPK-VIFPVBQESA-N 0 2 281.302 3.075 20 0 CGADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC2(CCCC2)CC1 ZINC000272627843 304489242 /nfs/dbraw/zinc/48/92/42/304489242.db2.gz TZBBHSVKESRJGJ-UHFFFAOYSA-N 0 2 295.329 3.467 20 0 CGADLN CC[C@@H]1CC[C@H](C)N(C(=O)c2c(O)cc(F)cc2F)C1 ZINC000654347572 418966446 /nfs/dbraw/zinc/96/64/46/418966446.db2.gz PSUDEQLOHTYRDF-VHSXEESVSA-N 0 2 283.318 3.321 20 0 CGADLN O=C([O-])C[N@H+](Cc1csc(C2CC2)n1)C1CCCCC1 ZINC000652481841 418973124 /nfs/dbraw/zinc/97/31/24/418973124.db2.gz CIJWVLWXMXJZMP-UHFFFAOYSA-N 0 2 294.420 3.240 20 0 CGADLN O=C([O-])C[N@@H+](Cc1csc(C2CC2)n1)C1CCCCC1 ZINC000652481841 418973128 /nfs/dbraw/zinc/97/31/28/418973128.db2.gz CIJWVLWXMXJZMP-UHFFFAOYSA-N 0 2 294.420 3.240 20 0 CGADLN CC(C)c1nc(C[N@H+](CC(=O)[O-])C2CCCCC2)cs1 ZINC000652482857 418974468 /nfs/dbraw/zinc/97/44/68/418974468.db2.gz YGONXJVDIXHPQG-UHFFFAOYSA-N 0 2 296.436 3.486 20 0 CGADLN CC(C)c1nc(C[N@@H+](CC(=O)[O-])C2CCCCC2)cs1 ZINC000652482857 418974472 /nfs/dbraw/zinc/97/44/72/418974472.db2.gz YGONXJVDIXHPQG-UHFFFAOYSA-N 0 2 296.436 3.486 20 0 CGADLN C[N@H+](CC1CCCC1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660760202 419192092 /nfs/dbraw/zinc/19/20/92/419192092.db2.gz FWYGGTUTJNEYHA-HNNXBMFYSA-N 0 2 270.380 3.016 20 0 CGADLN Cc1cccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c1C ZINC000657363630 419260116 /nfs/dbraw/zinc/26/01/16/419260116.db2.gz QARCJEGCKAUOIW-AWEZNQCLSA-N 0 2 269.392 3.297 20 0 CGADLN C[N@@H+](Cc1cnc[nH]1)[C@H]1CCCc2ccc(F)cc21 ZINC000661088698 419226773 /nfs/dbraw/zinc/22/67/73/419226773.db2.gz LUZZBXFONKVRNM-HNNXBMFYSA-N 0 2 259.328 3.058 20 0 CGADLN CC[N@H+](Cc1nc(-c2ccsc2)oc1C)[C@@H](C)C(=O)[O-] ZINC000662217034 419363032 /nfs/dbraw/zinc/36/30/32/419363032.db2.gz SGGYHVOGYIQYBG-VIFPVBQESA-N 0 2 294.376 3.007 20 0 CGADLN CC[N@@H+](Cc1nc(-c2ccsc2)oc1C)[C@@H](C)C(=O)[O-] ZINC000662217034 419363038 /nfs/dbraw/zinc/36/30/38/419363038.db2.gz SGGYHVOGYIQYBG-VIFPVBQESA-N 0 2 294.376 3.007 20 0 CGADLN CC[N@H+](Cc1nc(-c2cccs2)oc1C)[C@@H](C)C(=O)[O-] ZINC000662216832 419364916 /nfs/dbraw/zinc/36/49/16/419364916.db2.gz PUVRBZKYXALDNJ-VIFPVBQESA-N 0 2 294.376 3.007 20 0 CGADLN CC[N@@H+](Cc1nc(-c2cccs2)oc1C)[C@@H](C)C(=O)[O-] ZINC000662216832 419364918 /nfs/dbraw/zinc/36/49/18/419364918.db2.gz PUVRBZKYXALDNJ-VIFPVBQESA-N 0 2 294.376 3.007 20 0 CGADLN CC(C)(CNc1[nH+]cccc1C(=O)[O-])CC(F)(F)F ZINC000662902415 419506238 /nfs/dbraw/zinc/50/62/38/419506238.db2.gz IQRHTNLWEQODHG-UHFFFAOYSA-N 0 2 276.258 3.170 20 0 CGADLN O=C([O-])C[N@H+](Cc1ccccc1)Cc1ccccc1Cl ZINC000032144934 270027342 /nfs/dbraw/zinc/02/73/42/270027342.db2.gz LQKKLTMAMGUTCJ-UHFFFAOYSA-N 0 2 289.762 3.427 20 0 CGADLN O=C([O-])C[N@@H+](Cc1ccccc1)Cc1ccccc1Cl ZINC000032144934 270027343 /nfs/dbraw/zinc/02/73/43/270027343.db2.gz LQKKLTMAMGUTCJ-UHFFFAOYSA-N 0 2 289.762 3.427 20 0 CGADLN Cc1cccc(F)c1S(=O)(=O)Nc1cccc(F)c1C ZINC000187008214 270067596 /nfs/dbraw/zinc/06/75/96/270067596.db2.gz XQDHWHNLYSXZDJ-UHFFFAOYSA-N 0 2 297.326 3.382 20 0 CGADLN CCC[C@@H](C(=O)N=c1cc(C)c(C)n[nH]1)c1ccccc1 ZINC000522315712 270105865 /nfs/dbraw/zinc/10/58/65/270105865.db2.gz OSDPMFGXTVEUCB-OAHLLOKOSA-N 0 2 283.375 3.038 20 0 CGADLN c1ccc2nc(CCNc3nc(C4CC4)ns3)ccc2c1 ZINC000530693640 270202319 /nfs/dbraw/zinc/20/23/19/270202319.db2.gz MLRWAQWOTJJXJR-UHFFFAOYSA-N 0 2 296.399 3.040 20 0 CGADLN CC(C)(C)C(C)(C)C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000529696077 288272990 /nfs/dbraw/zinc/27/29/90/288272990.db2.gz HHKBCHZGMMPZMK-UHFFFAOYSA-N 0 2 281.425 3.022 20 0 CGADLN CC1(C)CCC[C@@H]1CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000436752817 281026033 /nfs/dbraw/zinc/02/60/33/281026033.db2.gz YOPISNKKDMIUNI-SNVBAGLBSA-N 0 2 283.318 3.227 20 0 CGADLN CC1(C)CC[C@@H]1NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000287127228 281115393 /nfs/dbraw/zinc/11/53/93/281115393.db2.gz MKRRRKSCHZFYEQ-JTQLQIEISA-N 0 2 271.719 3.103 20 0 CGADLN CC(C)c1nsc(N[C@H]2CCO[C@H](C(C)(C)C)C2)n1 ZINC000535719576 288456335 /nfs/dbraw/zinc/45/63/35/288456335.db2.gz DZKZFNVNOPLPCL-QWRGUYRKSA-N 0 2 283.441 3.089 20 0 CGADLN Cc1cc(=NC(=O)C[C@@H]2CCCCC2(C)C)[nH]nc1C ZINC000507716369 301041821 /nfs/dbraw/zinc/04/18/21/301041821.db2.gz VSJAFBPIHWQTIQ-ZDUSSCGKSA-N 0 2 275.396 3.060 20 0 CGADLN Cc1cccc2c(=O)c(C(=O)N3CC[C@@H](C)[C@H]3C)c[nH]c12 ZINC000164473559 302054076 /nfs/dbraw/zinc/05/40/76/302054076.db2.gz NPMHXRZJOMVFFC-ZYHUDNBSSA-N 0 2 284.359 3.119 20 0 CGADLN Cn1c(-c2cccc3ccccc32)n[n-]c1=[NH+]C(C)(C)C ZINC000463096506 302891625 /nfs/dbraw/zinc/89/16/25/302891625.db2.gz VEHHTJDTNBSPBC-UHFFFAOYSA-N 0 2 280.375 3.268 20 0 CGADLN Cn1c(-c2cc(Cl)ccc2Cl)n[n-]c1=[NH+]C(C)(C)C ZINC000463089566 302891659 /nfs/dbraw/zinc/89/16/59/302891659.db2.gz DLXPYVVYXLBWCR-UHFFFAOYSA-N 0 2 299.205 3.421 20 0 CGADLN Cc1ccc2c(c1)[N@@H+](CC1(CC(=O)[O-])CC1)CCC2 ZINC000565104114 322060324 /nfs/dbraw/zinc/06/03/24/322060324.db2.gz NAKTVFBLDGASBR-UHFFFAOYSA-N 0 2 259.349 3.003 20 0 CGADLN Cc1ccc2c(c1)[N@H+](CC1(CC(=O)[O-])CC1)CCC2 ZINC000565104114 322060325 /nfs/dbraw/zinc/06/03/25/322060325.db2.gz NAKTVFBLDGASBR-UHFFFAOYSA-N 0 2 259.349 3.003 20 0 CGADLN CC[N@H+](CC(=O)[O-])Cc1nc(-c2ccc(C)cc2)cs1 ZINC000567172866 322153249 /nfs/dbraw/zinc/15/32/49/322153249.db2.gz BDZIHLCFXQRECV-UHFFFAOYSA-N 0 2 290.388 3.025 20 0 CGADLN CC[N@@H+](CC(=O)[O-])Cc1nc(-c2ccc(C)cc2)cs1 ZINC000567172866 322153251 /nfs/dbraw/zinc/15/32/51/322153251.db2.gz BDZIHLCFXQRECV-UHFFFAOYSA-N 0 2 290.388 3.025 20 0 CGADLN CC[N@H+](C[C@@H]1CCO[C@H](C)C1)c1cccc(C(=O)[O-])c1 ZINC000567250839 322156274 /nfs/dbraw/zinc/15/62/74/322156274.db2.gz WTFVHXONAPBYBV-CHWSQXEVSA-N 0 2 277.364 3.026 20 0 CGADLN CC[N@@H+](C[C@@H]1CCO[C@H](C)C1)c1cccc(C(=O)[O-])c1 ZINC000567250839 322156277 /nfs/dbraw/zinc/15/62/77/322156277.db2.gz WTFVHXONAPBYBV-CHWSQXEVSA-N 0 2 277.364 3.026 20 0 CGADLN Cc1oc(C[N@@H+](C)Cc2cc(C)ccc2F)cc1C(=O)[O-] ZINC000568066895 322191703 /nfs/dbraw/zinc/19/17/03/322191703.db2.gz GNQLLJGVFFWWLA-UHFFFAOYSA-N 0 2 291.322 3.366 20 0 CGADLN Cc1oc(C[N@H+](C)Cc2cc(C)ccc2F)cc1C(=O)[O-] ZINC000568066895 322191705 /nfs/dbraw/zinc/19/17/05/322191705.db2.gz GNQLLJGVFFWWLA-UHFFFAOYSA-N 0 2 291.322 3.366 20 0 CGADLN O=C(C[C@@H]1CC[C@H]2C[C@H]21)N=c1nc(-c2ccccc2)[nH]s1 ZINC000570475078 322274385 /nfs/dbraw/zinc/27/43/85/322274385.db2.gz MIVSQMHCHYUIRR-RWMBFGLXSA-N 0 2 299.399 3.002 20 0 CGADLN O=C(Nc1ccc2nn[nH]c2c1)C1(C(F)(F)F)CCCC1 ZINC000571415036 322298019 /nfs/dbraw/zinc/29/80/19/322298019.db2.gz WMZUIFRFUCCAHT-UHFFFAOYSA-N 0 2 298.268 3.019 20 0 CGADLN Cc1cc[nH+]cc1CCCNc1ccc(C(=O)[O-])c(C)c1 ZINC000572463791 322338493 /nfs/dbraw/zinc/33/84/93/322338493.db2.gz OCOFCNOBVAPVMU-UHFFFAOYSA-N 0 2 284.359 3.441 20 0 CGADLN CCc1ccc(C[N@H+](C)Cc2nc(C(=O)[O-])cs2)cc1 ZINC000582850683 329280008 /nfs/dbraw/zinc/28/00/08/329280008.db2.gz BVHDICJOBLWVKG-UHFFFAOYSA-N 0 2 290.388 3.036 20 0 CGADLN CCc1ccc(C[N@@H+](C)Cc2nc(C(=O)[O-])cs2)cc1 ZINC000582850683 329280009 /nfs/dbraw/zinc/28/00/09/329280009.db2.gz BVHDICJOBLWVKG-UHFFFAOYSA-N 0 2 290.388 3.036 20 0 CGADLN O=C([O-])c1ccccc1-c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000576587141 335222939 /nfs/dbraw/zinc/22/29/39/335222939.db2.gz ASGMXEPYNYLLMF-UHFFFAOYSA-N 0 2 264.284 3.442 20 0 CGADLN O=C([O-])c1ccccc1-c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000576758343 335244361 /nfs/dbraw/zinc/24/43/61/335244361.db2.gz NKNOOGVIOKZMLX-UHFFFAOYSA-N 0 2 264.284 3.442 20 0 CGADLN O=C(c1cc(F)c(F)c(O)c1F)N1CCc2ccccc21 ZINC000193922554 335993094 /nfs/dbraw/zinc/99/30/94/335993094.db2.gz DZHJMCNOCYEBCA-UHFFFAOYSA-N 0 2 293.244 3.012 20 0 CGADLN CC(C)n1c(=[NH2+])[n-]nc1SC[C@H]1CCCCC1(F)F ZINC000381560738 336068501 /nfs/dbraw/zinc/06/85/01/336068501.db2.gz HWVJQPIERRDXND-SECBINFHSA-N 0 2 290.383 3.189 20 0 CGADLN CC[C@@H](Nc1nc([C@@H](C)OC)ns1)C1CCCC1 ZINC000382812109 336097393 /nfs/dbraw/zinc/09/73/93/336097393.db2.gz QFFGIHMZYOBNMQ-MWLCHTKSSA-N 0 2 269.414 3.048 20 0 CGADLN C[C@H](CC(F)(F)F)NC(=O)c1cc(F)cc(Cl)c1O ZINC000436826826 533742483 /nfs/dbraw/zinc/74/24/83/533742483.db2.gz RDWSWLGKSQYRAB-RXMQYKEDSA-N 0 2 299.651 3.255 20 0 CGADLN C[C@@H](CNC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1 ZINC000436973494 534034905 /nfs/dbraw/zinc/03/49/05/534034905.db2.gz XYGXWNABQIOJGY-JTQLQIEISA-N 0 2 291.297 3.204 20 0 CGADLN O=C(c1cc(F)cc(Cl)c1O)N(CC1CC1)CC1CC1 ZINC000436923257 534665320 /nfs/dbraw/zinc/66/53/20/534665320.db2.gz BMJQZOQOXUUFRY-UHFFFAOYSA-N 0 2 297.757 3.447 20 0 CGADLN CCN(C(=O)c1cc(F)c(O)c(F)c1)C1CC(C)(C)C1 ZINC000412814461 529073134 /nfs/dbraw/zinc/07/31/34/529073134.db2.gz RXKDNLKYPPOGEY-UHFFFAOYSA-N 0 2 283.318 3.321 20 0 CGADLN CO[C@H](C)c1nsc(N[C@H](C)[C@@H](C)c2ccccc2)n1 ZINC000509548684 536498658 /nfs/dbraw/zinc/49/86/58/536498658.db2.gz JUMUZDZRBOGFCE-IJLUTSLNSA-N 0 2 291.420 3.272 20 0 CGADLN Cc1cc(OCc2ccccc2)ccc1[NH2+]CC(=O)[O-] ZINC000738241123 572367623 /nfs/dbraw/zinc/36/76/23/572367623.db2.gz UHBCFPSHHOKPFY-UHFFFAOYSA-N 0 2 271.316 3.071 20 0 CGADLN Cc1cc(OCc2ccccc2)ccc1[NH2+][C@@H](C)C(=O)[O-] ZINC000738239543 572367762 /nfs/dbraw/zinc/36/77/62/572367762.db2.gz KGKWXUXGOLEXOS-ZDUSSCGKSA-N 0 2 285.343 3.459 20 0 CGADLN Cc1csc(C(C)(C)[NH2+]Cc2cc(C)c(C(=O)[O-])o2)n1 ZINC000738817098 572393963 /nfs/dbraw/zinc/39/39/63/572393963.db2.gz SUGLMONXWSBMJM-UHFFFAOYSA-N 0 2 294.376 3.076 20 0 CGADLN Cc1csc([C@@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])co2)n1 ZINC000738817362 572394847 /nfs/dbraw/zinc/39/48/47/572394847.db2.gz ZXADLHNZRNVCGV-LBPRGKRZSA-N 0 2 292.360 3.080 20 0 CGADLN Cc1csc([C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])co2)n1 ZINC000738817362 572394849 /nfs/dbraw/zinc/39/48/49/572394849.db2.gz ZXADLHNZRNVCGV-LBPRGKRZSA-N 0 2 292.360 3.080 20 0 CGADLN CC(C)(C)C[C@H](Sc1[nH+]cc2ccccn21)C(=O)[O-] ZINC000833430986 605150033 /nfs/dbraw/zinc/15/00/33/605150033.db2.gz ZJTJXQYDADCCKR-NSHDSACASA-N 0 2 278.377 3.316 20 0 CGADLN O=C(NC/C=C\c1ccccc1)c1c(O)cc(F)cc1F ZINC000255319027 618197873 /nfs/dbraw/zinc/19/78/73/618197873.db2.gz NDBFECJJBWONFD-DAXSKMNVSA-N 0 2 289.281 3.114 20 0 CGADLN Fc1cccc(/C=C\C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000893966173 619341410 /nfs/dbraw/zinc/34/14/10/619341410.db2.gz IXVFPSNLENGUSA-PRSOIBJXSA-N 0 2 285.366 3.442 20 0 CGADLN Cc1ccc(NCc2c[nH+]cn2C(C)C)cc1C(=O)[O-] ZINC000901716876 621005777 /nfs/dbraw/zinc/00/57/77/621005777.db2.gz HGJZCRCXKQQMIQ-UHFFFAOYSA-N 0 2 273.336 3.083 20 0 CGADLN CC(C)n1c[nH+]cc1CNc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901817527 621044987 /nfs/dbraw/zinc/04/49/87/621044987.db2.gz SJAKQQQPHBDGJM-LBPRGKRZSA-N 0 2 287.363 3.264 20 0 CGADLN CCc1oc(C[NH2+][C@H](C)c2nc(C)cs2)cc1C(=O)[O-] ZINC000902224187 621199971 /nfs/dbraw/zinc/19/99/71/621199971.db2.gz YTDPNCHRMNUOBN-SECBINFHSA-N 0 2 294.376 3.156 20 0 CGADLN CCc1oc(C[NH+]2Cc3ccccc3C2)cc1C(=O)[O-] ZINC000902231643 621202931 /nfs/dbraw/zinc/20/29/31/621202931.db2.gz VPOZXJWWFFUYSD-UHFFFAOYSA-N 0 2 271.316 3.056 20 0 CGADLN Cc1oc(C[NH2+]C2(c3ccccc3F)CC2)cc1C(=O)[O-] ZINC000902291564 621231156 /nfs/dbraw/zinc/23/11/56/621231156.db2.gz HKXCVLMHVFQLMQ-UHFFFAOYSA-N 0 2 289.306 3.204 20 0 CGADLN O=C(C(F)C(F)(F)F)N1CCCCCCCC1 ZINC000836926024 624006025 /nfs/dbraw/zinc/00/60/25/624006025.db2.gz ZDESGHHEVGOFDE-VIFPVBQESA-N 0 2 255.255 3.070 20 0 CGADLN O=C([C@H](F)C(F)(F)F)N1CCCCCCCC1 ZINC000836926024 624006031 /nfs/dbraw/zinc/00/60/31/624006031.db2.gz ZDESGHHEVGOFDE-VIFPVBQESA-N 0 2 255.255 3.070 20 0 CGADLN O=C([O-])c1ccc[nH+]c1N1CCC[C@H]1c1ccsc1 ZINC000917071546 624234352 /nfs/dbraw/zinc/23/43/52/624234352.db2.gz VKXDFTSNIUCARB-LBPRGKRZSA-N 0 2 274.345 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/nfs/dbraw/zinc/23/19/13/822231913.db2.gz GMUKBZSXGWGVDA-UHFFFAOYSA-N 0 2 281.363 3.320 20 0 CGADLN Oc1c(Cl)cccc1-c1ccc(-n2cccc2)nn1 ZINC001242363001 822967476 /nfs/dbraw/zinc/96/74/76/822967476.db2.gz UENRLPBYSGUCFQ-UHFFFAOYSA-N 0 2 271.707 3.293 20 0 CGADLN Oc1c(Cl)cccc1-c1ccc(N2CCCCC2)nn1 ZINC001242362801 822967675 /nfs/dbraw/zinc/96/76/75/822967675.db2.gz SGGPMYMONBVUIZ-UHFFFAOYSA-N 0 2 289.766 3.493 20 0 CGADLN COc1ccc(-c2cccc(Cl)c2O)nc1F ZINC001242367051 822969796 /nfs/dbraw/zinc/96/97/96/822969796.db2.gz VTYCGFHLXUXZSM-UHFFFAOYSA-N 0 2 253.660 3.255 20 0 CGADLN