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/nfs/dbraw/zinc/01/91/80/185019180.db2.gz XWXPPMWRZZRJSK-UHFFFAOYSA-N 0 0 256.143 3.056 10 0 CGAERN CC(C)(C)OC(=O)Nc1cccc2c1[C@H](O)CCC2 ZINC000095775714 185027962 /nfs/dbraw/zinc/02/79/62/185027962.db2.gz CKJCBYDCFPQHNC-GFCCVEGCSA-N 0 0 263.337 3.403 10 0 CGAERN O=c1cc(-c2ccc(F)cc2)oc2ccc(O)cc12 ZINC000095775448 185028283 /nfs/dbraw/zinc/02/82/83/185028283.db2.gz FAQCPXTXZXVVDM-UHFFFAOYSA-N 0 0 256.232 3.305 10 0 CGAERN CCOC(=O)c1cccc(Br)c1OCC ZINC000095930544 185032299 /nfs/dbraw/zinc/03/22/99/185032299.db2.gz SMWWORKIMLIHJW-UHFFFAOYSA-N 0 0 273.126 3.025 10 0 CGAERN CC(C)(C)OC(=O)N1CCc2sc(F)cc2C1 ZINC000095933618 185033610 /nfs/dbraw/zinc/03/36/10/185033610.db2.gz DLRYHSXFAMDVMJ-UHFFFAOYSA-N 0 0 257.330 3.180 10 0 CGAERN COC(=O)c1ccc(OC)c2nc(C(F)(F)F)ccc12 ZINC000095934251 185033785 /nfs/dbraw/zinc/03/37/85/185033785.db2.gz QBQAFZKCEIJYPE-UHFFFAOYSA-N 0 0 285.221 3.049 10 0 CGAERN CCCNC(=O)/C=C\c1cc(Br)ccc1F ZINC000095938598 185034881 /nfs/dbraw/zinc/03/48/81/185034881.db2.gz 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272.377 3.259 10 0 CGAERN c1csc(C2=CCN(c3ccc4nccnc4n3)CC2)c1 ZINC000301306327 136429317 /nfs/dbraw/zinc/42/93/17/136429317.db2.gz YTUPGUKUHTVKNR-UHFFFAOYSA-N 0 0 294.383 3.380 10 0 CGAERN Cc1ccc([C@H]2CCCCN2Cc2csnn2)o1 ZINC000126984556 187274758 /nfs/dbraw/zinc/27/47/58/187274758.db2.gz HQQSADGWHMLSDV-GFCCVEGCSA-N 0 0 263.366 3.167 10 0 CGAERN O=C(c1cc2ccccc2o1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128108074 187352431 /nfs/dbraw/zinc/35/24/31/187352431.db2.gz ZPLBYDKYUTWUFD-KDOFPFPSSA-N 0 0 299.370 3.200 10 0 CGAERN CCOC(=O)C[C@H]1Cc2ccc3ccc(OC)cc3c2C1=O ZINC000005663871 344863051 /nfs/dbraw/zinc/86/30/51/344863051.db2.gz YBDBXAGMIQZPHW-CYBMUJFWSA-N 0 0 298.338 3.157 10 0 CGAERN C[C@]12CC[C@@H]3[C@H]4CCC=CC4=CC(=O)[C@H]3[C@@H]1CCC2=O ZINC000013737740 344880480 /nfs/dbraw/zinc/88/04/80/344880480.db2.gz AMNWQOATBFQMRP-ASJPCPMZSA-N 0 0 270.372 3.473 10 0 CGAERN CC(C)[C@H](C)NC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000022881537 344896240 /nfs/dbraw/zinc/89/62/40/344896240.db2.gz 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3.261 10 0 CGAERN C/C(=C\[C@@H](C)Sc1ccc(N(C)C)cc1)CO ZINC000035874911 344942583 /nfs/dbraw/zinc/94/25/83/344942583.db2.gz MYCPGMHELVHIBQ-LMMOQWNQSA-N 0 0 251.395 3.172 10 0 CGAERN COc1cccc(C(=O)c2cc(F)ccc2OC)c1 ZINC000036944267 344945460 /nfs/dbraw/zinc/94/54/60/344945460.db2.gz TYMUDLMZGLGMRI-UHFFFAOYSA-N 0 0 260.264 3.074 10 0 CGAERN Cc1ccc(C)c(C(=O)c2ccc3c(c2)OCO3)c1 ZINC000037353623 344949371 /nfs/dbraw/zinc/94/93/71/344949371.db2.gz NZGVUQFXMGIBLT-UHFFFAOYSA-N 0 0 254.285 3.263 10 0 CGAERN CCOc1ccc(C(=O)c2ccc(OC)cc2OC)cc1 ZINC000037358297 344949453 /nfs/dbraw/zinc/94/94/53/344949453.db2.gz CNCHJKPAEQGOKK-UHFFFAOYSA-N 0 0 286.327 3.334 10 0 CGAERN COc1ccc([C@H](C#N)C(=O)c2cccc(OC)c2)cc1 ZINC000037346053 344949587 /nfs/dbraw/zinc/94/95/87/344949587.db2.gz ONGQOWHLTLVIRJ-INIZCTEOSA-N 0 0 281.311 3.194 10 0 CGAERN CC(C)[C@](C)(O)Cc1ccccc1Br ZINC000037463624 344950795 /nfs/dbraw/zinc/95/07/95/344950795.db2.gz OFFHDLVJFJECQK-GFCCVEGCSA-N 0 0 257.171 3.399 10 0 CGAERN 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345118136 /nfs/dbraw/zinc/11/81/36/345118136.db2.gz YPRUUTAOOHLDLE-NSHDSACASA-N 0 0 258.321 3.116 10 0 CGAERN CCOC(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC000052232631 345100330 /nfs/dbraw/zinc/10/03/30/345100330.db2.gz ZNZQSHYUPUGJIS-UHFFFAOYSA-N 0 0 264.655 3.004 10 0 CGAERN C[C@H](Nc1cccnn1)c1cccc(Br)c1 ZINC000052830918 345108743 /nfs/dbraw/zinc/10/87/43/345108743.db2.gz DUZBGDCXYRBUHK-VIFPVBQESA-N 0 0 278.153 3.412 10 0 CGAERN COc1ccc(SCCC(=O)N[C@@H](C)C(C)C)cc1 ZINC000053664150 345124407 /nfs/dbraw/zinc/12/44/07/345124407.db2.gz IJTVIQPUHGSJPS-LBPRGKRZSA-N 0 0 281.421 3.338 10 0 CGAERN CC(C)C(=O)Cc1ccc(Br)cc1F ZINC000053765174 345125085 /nfs/dbraw/zinc/12/50/85/345125085.db2.gz HTKAJLBTIUBENK-UHFFFAOYSA-N 0 0 259.118 3.356 10 0 CGAERN OCc1nc(-c2ccccc2Br)cs1 ZINC000061801734 345233960 /nfs/dbraw/zinc/23/39/60/345233960.db2.gz XAFAQTWSWBRRFF-UHFFFAOYSA-N 0 0 270.151 3.065 10 0 CGAERN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1CC ZINC000059730998 345208192 /nfs/dbraw/zinc/20/81/92/345208192.db2.gz 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C[C@H]1C[C@H]1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000075525751 345511714 /nfs/dbraw/zinc/51/17/14/345511714.db2.gz FXIIABZEWXYDPY-ZUZCIYMTSA-N 0 0 266.344 3.250 10 0 CGAERN C[C@@H]1C[C@@H]1NC(=O)NCCSc1ccc(Cl)cc1 ZINC000075982470 345529394 /nfs/dbraw/zinc/52/93/94/345529394.db2.gz PDBQKZKPCWAHIQ-SKDRFNHKSA-N 0 0 284.812 3.140 10 0 CGAERN Cc1cc(NC(=O)N[C@H]2C[C@H]2C)ccc1Br ZINC000076033105 345530882 /nfs/dbraw/zinc/53/08/82/345530882.db2.gz SHMKMXAERMQKMR-KCJUWKMLSA-N 0 0 283.169 3.287 10 0 CGAERN CC(C)[C@H](C)NC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000079122166 345632066 /nfs/dbraw/zinc/63/20/66/345632066.db2.gz YPUBDMBAMALDKA-HOCLYGCPSA-N 0 0 274.408 3.448 10 0 CGAERN CCCCc1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000085979170 345748453 /nfs/dbraw/zinc/74/84/53/345748453.db2.gz NKWXUXIVFXBFRJ-IAGOWNOFSA-N 0 0 289.419 3.310 10 0 CGAERN CCc1cc(NC(=O)c2ccc(-n3cccc3)c(F)c2)n[nH]1 ZINC000104867772 345926218 /nfs/dbraw/zinc/92/62/18/345926218.db2.gz PJAJENJQXBTDHY-UHFFFAOYSA-N 0 0 298.321 3.154 10 0 CGAERN 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287405578 /nfs/dbraw/zinc/40/55/78/287405578.db2.gz ODHBFNMOYMOZNI-KRWDZBQOSA-N 0 0 291.391 3.395 10 0 CGAERN CC(C)c1nc2c(Br)cccc2cc1NN ZINC000685963297 544111061 /nfs/dbraw/zinc/11/10/61/544111061.db2.gz LOFYWEPUZPDITI-UHFFFAOYSA-N 0 0 280.169 3.406 10 0 CGAERN CCC(=O)C[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 ZINC000685959526 544111280 /nfs/dbraw/zinc/11/12/80/544111280.db2.gz ZHMDXGXMZTXZNR-CQSZACIVSA-N 0 0 255.358 3.049 10 0 CGAERN CCCn1cnc(CCC(C)C)c(Br)c1=O ZINC000725243480 544111902 /nfs/dbraw/zinc/11/19/02/544111902.db2.gz MMSGUFGNTSZSSP-UHFFFAOYSA-N 0 0 287.201 3.004 10 0 CGAERN Cc1nc2cc(C3CCCC3)cc(Br)n2n1 ZINC000725248195 544112806 /nfs/dbraw/zinc/11/28/06/544112806.db2.gz NJKAQVFGHIAXAW-UHFFFAOYSA-N 0 0 280.169 3.458 10 0 CGAERN CCCc1nc2cc(CCC)cc(Br)n2n1 ZINC000725247973 544112971 /nfs/dbraw/zinc/11/29/71/544112971.db2.gz FXDXAWUWLCODCD-UHFFFAOYSA-N 0 0 282.185 3.397 10 0 CGAERN CCCc1nc2cc(CC3CC3)cc(Br)n2n1 ZINC000725248493 544113010 /nfs/dbraw/zinc/11/30/10/544113010.db2.gz 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377950856 /nfs/dbraw/zinc/95/08/56/377950856.db2.gz HJGDYGOJNHCNAM-UHFFFAOYSA-N 0 0 287.487 3.196 10 0 CGAERN O=Cc1cc(Cl)c(OC(F)F)cc1OC(F)F ZINC000575678304 377952828 /nfs/dbraw/zinc/95/28/28/377952828.db2.gz YPKWFMCHXUJXTG-UHFFFAOYSA-N 0 0 272.581 3.355 10 0 CGAERN COc1cc(F)c(OC(F)F)cc1Br ZINC000575680906 377954726 /nfs/dbraw/zinc/95/47/26/377954726.db2.gz TYGVPXKXGDYTNP-UHFFFAOYSA-N 0 0 271.032 3.198 10 0 CGAERN Cc1cccc(Br)c1NCC(F)F ZINC000575479980 377914902 /nfs/dbraw/zinc/91/49/02/377914902.db2.gz JMTMQRAOHZXMDI-UHFFFAOYSA-N 0 0 250.086 3.435 10 0 CGAERN COc1cc(C(F)F)c(Br)cc1O ZINC000575683459 377957671 /nfs/dbraw/zinc/95/76/71/377957671.db2.gz AGJAOBJTFPRWSM-UHFFFAOYSA-N 0 0 253.042 3.101 10 0 CGAERN Cc1ccc(C=O)c(Br)c1OC(F)F ZINC000575684556 377959262 /nfs/dbraw/zinc/95/92/62/377959262.db2.gz RCXICSKSHQLFSG-UHFFFAOYSA-N 0 0 265.053 3.171 10 0 CGAERN COc1cc(Br)cc(OC(F)F)c1C(C)=O ZINC000575686154 377961366 /nfs/dbraw/zinc/96/13/66/377961366.db2.gz ZQUPVZQSYOVIGU-UHFFFAOYSA-N 0 0 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CGAERN COC(=O)Cc1cc(Br)cc(C(F)F)c1F ZINC000575711112 377980197 /nfs/dbraw/zinc/98/01/97/377980197.db2.gz OMBFURSOGBEMKI-UHFFFAOYSA-N 0 0 297.070 3.241 10 0 CGAERN CCOc1cc(Cl)c(C(=O)OC)c(Br)c1 ZINC000575711379 377980621 /nfs/dbraw/zinc/98/06/21/377980621.db2.gz XKMLEJNGADBTCU-UHFFFAOYSA-N 0 0 293.544 3.288 10 0 CGAERN COC(=O)c1cc(OC(F)F)cc(C)c1Cl ZINC000575712537 377981543 /nfs/dbraw/zinc/98/15/43/377981543.db2.gz LIDDEFAZZZQABJ-UHFFFAOYSA-N 0 0 250.628 3.036 10 0 CGAERN CCOC(=O)c1cc(C(F)(F)F)cc(OC(F)F)c1N ZINC000575723993 377983385 /nfs/dbraw/zinc/98/33/85/377983385.db2.gz NOSDJTFYFSERSO-UHFFFAOYSA-N 0 0 299.195 3.066 10 0 CGAERN CCOc1ccc(Br)c(OC(F)F)c1N ZINC000575721987 377983746 /nfs/dbraw/zinc/98/37/46/377983746.db2.gz BUBKAWFKRZLRCX-UHFFFAOYSA-N 0 0 282.084 3.031 10 0 CGAERN CCOc1cc(N)c(OC(F)F)c(Br)c1 ZINC000575722450 377983793 /nfs/dbraw/zinc/98/37/93/377983793.db2.gz KVTOSQKUOPUINY-UHFFFAOYSA-N 0 0 282.084 3.031 10 0 CGAERN COc1cc(C(F)(F)F)c(OC(F)(F)F)cc1CO ZINC000575729737 377984707 /nfs/dbraw/zinc/98/47/07/377984707.db2.gz HGHYYXWPPKLBHN-UHFFFAOYSA-N 0 0 290.159 3.105 10 0 CGAERN COc1cc(OC(F)(F)F)c(N)c(C(F)(F)F)c1 ZINC000575729763 377984882 /nfs/dbraw/zinc/98/48/82/377984882.db2.gz HJAFVCXKHLQIGH-UHFFFAOYSA-N 0 0 275.148 3.195 10 0 CGAERN CC[C@H](NC(=O)c1ccncc1Br)C(C)C ZINC000268614975 378081507 /nfs/dbraw/zinc/08/15/07/378081507.db2.gz NDWFVECKKOPNLD-NSHDSACASA-N 0 0 285.185 3.009 10 0 CGAERN COC[C@@H](Nc1ccccc1-n1nccc1C)C1CC1 ZINC000184470506 542236251 /nfs/dbraw/zinc/23/62/51/542236251.db2.gz FHJFOHVQEOIRDK-OAHLLOKOSA-N 0 0 271.364 3.018 10 0 CGAERN COCCC(C)(C)C(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000185256018 542238667 /nfs/dbraw/zinc/23/86/67/542238667.db2.gz NCKAGDFWMKLEGH-CJNGLKHVSA-N 0 0 289.419 3.407 10 0 CGAERN COCCC(C)(C)C(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000185256034 542238805 /nfs/dbraw/zinc/23/88/05/542238805.db2.gz NCKAGDFWMKLEGH-XJKSGUPXSA-N 0 0 289.419 3.407 10 0 CGAERN Cc1cc(C(=O)N2CCCc3c(N)cccc32)c(C)o1 ZINC000133246976 291701610 /nfs/dbraw/zinc/70/16/10/291701610.db2.gz CNDGOGDFHGIRAX-UHFFFAOYSA-N 0 0 270.332 3.072 10 0 CGAERN Cc1nc([C@@H](C)NCc2nc(C)c(C)s2)cs1 ZINC000348313348 378902344 /nfs/dbraw/zinc/90/23/44/378902344.db2.gz XMXLPOWOEZZHCT-MRVPVSSYSA-N 0 0 267.423 3.376 10 0 CGAERN O=C(Nc1cccc2c1OCCC2)c1cccnc1Cl ZINC000370496608 379025090 /nfs/dbraw/zinc/02/50/90/379025090.db2.gz RSXFYKCSWZGDBV-UHFFFAOYSA-N 0 0 288.734 3.312 10 0 CGAERN Cc1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc(C)c1F ZINC000136992877 291715196 /nfs/dbraw/zinc/71/51/96/291715196.db2.gz HYBHJSMGNJDYHO-HUUCEWRRSA-N 0 0 291.366 3.226 10 0 CGAERN O=C(c1coc(Br)c1)N1C[C@H]2CCCCC[C@@H]21 ZINC000370717251 379059547 /nfs/dbraw/zinc/05/95/47/379059547.db2.gz SGXPOIBBBISQAE-KOLCDFICSA-N 0 0 298.180 3.447 10 0 CGAERN CC(C)c1nccnc1NCCc1ccccc1F ZINC000349564132 379309432 /nfs/dbraw/zinc/30/94/32/379309432.db2.gz JZKAPXWTVJDNEU-UHFFFAOYSA-N 0 0 259.328 3.394 10 0 CGAERN O=C(c1cccc(F)c1F)N1C[C@H]2CCCCC[C@H]21 ZINC000378080556 379772553 /nfs/dbraw/zinc/77/25/53/379772553.db2.gz UOBORFADHMAEHM-ZWNOBZJWSA-N 0 0 265.303 3.370 10 0 CGAERN c1ccc2c(c1)OCC[C@H]2Nc1cc(C2CC2)ncn1 ZINC000641263170 379983063 /nfs/dbraw/zinc/98/30/63/379983063.db2.gz OIAZMIWZFIILPD-CYBMUJFWSA-N 0 0 267.332 3.290 10 0 CGAERN CCC[C@@H]1C[C@@H]1Nc1ncccc1C(=O)N1CCCCC1 ZINC000267609756 190341403 /nfs/dbraw/zinc/34/14/03/190341403.db2.gz GNAAPDGZVPRDHG-HIFRSBDPSA-N 0 0 287.407 3.308 10 0 CGAERN CCC1CCC(c2noc(-c3cc(C)[nH]n3)n2)CC1 ZINC000408226801 380000634 /nfs/dbraw/zinc/00/06/34/380000634.db2.gz SNNMWNPXWVXCJO-UHFFFAOYSA-N 0 0 260.341 3.452 10 0 CGAERN CCc1cc(NCc2c(C)nn(C)c2OC)ccc1F ZINC000352925671 380041367 /nfs/dbraw/zinc/04/13/67/380041367.db2.gz PZQOOKPZYNORJE-UHFFFAOYSA-N 0 0 277.343 3.051 10 0 CGAERN O=C(c1sccc1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000168521208 296311130 /nfs/dbraw/zinc/31/11/30/296311130.db2.gz HBQMIUSIJBVKFH-IINYFYTJSA-N 0 0 299.823 3.169 10 0 CGAERN COc1ccccc1C(=O)[C@@H]1O[C@H]1c1ccccc1 ZINC000000162502 169559446 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/nfs/dbraw/zinc/35/17/43/625351743.db2.gz PSNOCKJNSMGAGJ-HOTGVXAUSA-N 0 0 286.371 3.391 10 0 CGAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)n1 ZINC000191955480 619713625 /nfs/dbraw/zinc/71/36/25/619713625.db2.gz WRXSOYZAYYBNHP-HTQZYQBOSA-N 0 0 289.162 3.142 10 0 CGAERN Cc1ccc(C(C)(C)C(=O)O[C@H](C)[C@@H]2CCOC2)cc1 ZINC000079178433 620118009 /nfs/dbraw/zinc/11/80/09/620118009.db2.gz YXLRVQSUQLRDLH-ZIAGYGMSSA-N 0 0 276.376 3.241 10 0 CGAERN C[C@@H](OC(=O)CCSc1ccccc1F)[C@H]1CCOC1 ZINC000079179225 620119720 /nfs/dbraw/zinc/11/97/20/620119720.db2.gz QFAVWKCSCBYBRO-NEPJUHHUSA-N 0 0 298.379 3.276 10 0 CGAERN C[C@@H](NC(=O)C1=CCCCO1)c1ccc(F)c(Cl)c1 ZINC000073050336 625419859 /nfs/dbraw/zinc/41/98/59/625419859.db2.gz JCUPAHIIOCKCDE-SECBINFHSA-N 0 0 283.730 3.351 10 0 CGAERN CCOc1ccccc1C(F)(F)C(=O)N[C@H](C)C(C)C ZINC000163553091 620575630 /nfs/dbraw/zinc/57/56/30/620575630.db2.gz OWRYEAWGJVOTFE-LLVKDONJSA-N 0 0 285.334 3.338 10 0 CGAERN CC[C@@H](NC(=O)c1cc(N)ccc1Cl)C(C)C ZINC000042584313 621227319 /nfs/dbraw/zinc/22/73/19/621227319.db2.gz DTLHZYOHXFUDEV-GFCCVEGCSA-N 0 0 254.761 3.087 10 0 CGAERN C[C@@H](OC(=O)CCCNC(=O)OC(C)(C)C)C1CCC1 ZINC000083149004 625499102 /nfs/dbraw/zinc/49/91/02/625499102.db2.gz ZNIQYNQRALSCGH-LLVKDONJSA-N 0 0 285.384 3.023 10 0 CGAERN C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@H](C)C#N ZINC000186033482 625507871 /nfs/dbraw/zinc/50/78/71/625507871.db2.gz CGYVPUOMJFPMAX-BNICOGTQSA-N 0 0 283.158 3.425 10 0 CGAERN C[C@H](OC(=O)[C@H]1CC[C@@H](C)O1)c1ccc(F)c(F)c1 ZINC000150838208 622687144 /nfs/dbraw/zinc/68/71/44/622687144.db2.gz KIMKVDIOKFRYDU-VYUIOLGVSA-N 0 0 270.275 3.137 10 0 CGAERN C[C@@H](OC(=O)Cc1cccc(Cl)c1)C1CCOCC1 ZINC000151446807 622784419 /nfs/dbraw/zinc/78/44/19/622784419.db2.gz NUFHYGLBOKGMGQ-LLVKDONJSA-N 0 0 282.767 3.241 10 0 CGAERN CC[C@H](SC)C(=O)O[C@H](C)c1ccc2c(c1)OCCO2 ZINC000156831143 622848066 /nfs/dbraw/zinc/84/80/66/622848066.db2.gz GRMHEBAZZUZDIT-YGRLFVJLSA-N 0 0 296.388 3.204 10 0 CGAERN COc1c2c(sc1C(=O)N1CCC[C@@H](C)C1)CCC2 ZINC000223475088 622861121 /nfs/dbraw/zinc/86/11/21/622861121.db2.gz KUAMTGDERPSLIS-SNVBAGLBSA-N 0 0 279.405 3.118 10 0 CGAERN C[C@H](CCO)NC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000157082562 622862416 /nfs/dbraw/zinc/86/24/16/622862416.db2.gz TVNBAXCNJZSNHH-CHWSQXEVSA-N 0 0 292.423 3.115 10 0 CGAERN C/C(=C\c1ccccc1Cl)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000157223515 622886841 /nfs/dbraw/zinc/88/68/41/622886841.db2.gz JXKGGHTZNOURQP-DPGNGVPNSA-N 0 0 293.794 3.379 10 0 CGAERN O=C(/C=C/c1cccnc1)N[C@H]1CCCc2cc(F)ccc21 ZINC000157650358 622919799 /nfs/dbraw/zinc/91/97/99/622919799.db2.gz DGFGFPWHOHNLPO-NADMHLTPSA-N 0 0 296.345 3.428 10 0 CGAERN CC[C@H](OC(=O)CCn1cc(C)cn1)c1ccc(F)cc1 ZINC000060783496 623068622 /nfs/dbraw/zinc/06/86/22/623068622.db2.gz XIBMCQYVPGKCNO-HNNXBMFYSA-N 0 0 290.338 3.415 10 0 CGAERN COCCOc1ccccc1-c1ccc(C=O)cc1 ZINC000228966909 623086814 /nfs/dbraw/zinc/08/68/14/623086814.db2.gz GIGYTVXOAOELGU-UHFFFAOYSA-N 0 0 256.301 3.191 10 0 CGAERN Cc1nc(Cl)cc(N[C@@H](C)COCc2ccccc2)n1 ZINC000172780447 623278562 /nfs/dbraw/zinc/27/85/62/623278562.db2.gz HZXGOULLOLXURA-NSHDSACASA-N 0 0 291.782 3.456 10 0 CGAERN CC(C)(C)COC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000076913644 623326713 /nfs/dbraw/zinc/32/67/13/623326713.db2.gz OAWTUDVDSZDTOB-VXGBXAGGSA-N 0 0 299.411 3.269 10 0 CGAERN CCc1c(Cl)ncnc1N[C@H](C)c1ncc(C)o1 ZINC000231755238 623339960 /nfs/dbraw/zinc/33/99/60/623339960.db2.gz PBUIDQIFDAJRNM-MRVPVSSYSA-N 0 0 266.732 3.162 10 0 CGAERN CC[C@H](Cc1ccccc1)OC(=O)c1ncoc1C ZINC000174544553 623407227 /nfs/dbraw/zinc/40/72/27/623407227.db2.gz YASWQQRKBIWUAK-CYBMUJFWSA-N 0 0 259.305 3.161 10 0 CGAERN CC[C@@H](Cc1ccccc1)OC(=O)c1cc(C(C)=O)cn1C ZINC000174543151 623407643 /nfs/dbraw/zinc/40/76/43/623407643.db2.gz ZWFQFJQTTGQXPZ-INIZCTEOSA-N 0 0 299.370 3.406 10 0 CGAERN COC[C@H](C)C(=O)OCCc1ccc(C(F)(F)F)cc1 ZINC000174591277 623408653 /nfs/dbraw/zinc/40/86/53/623408653.db2.gz XYRZYFOHIBEYOA-JTQLQIEISA-N 0 0 290.281 3.074 10 0 CGAERN C/C=C(/C)C(=O)O[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000089967828 623464721 /nfs/dbraw/zinc/46/47/21/623464721.db2.gz CEVHWAQNBIWAEM-FGUAACIASA-N 0 0 262.305 3.028 10 0 CGAERN C[C@H](OC(=O)c1ccc(-n2cccc2)cc1)[C@H]1CCOC1 ZINC000175231759 624621022 /nfs/dbraw/zinc/62/10/22/624621022.db2.gz SDESCWNGYYMKIR-ZFWWWQNUSA-N 0 0 285.343 3.059 10 0 CGAERN C[C@H](OC(=O)CC/C=C/c1ccccc1)[C@H]1CCOC1 ZINC000175227295 624621305 /nfs/dbraw/zinc/62/13/05/624621305.db2.gz DXADOHUPCGORRF-QVDQZQSHSA-N 0 0 274.360 3.448 10 0 CGAERN C[C@H](OC(=O)Cc1cccc2ccccc21)[C@@H]1CCOC1 ZINC000175255530 624624188 /nfs/dbraw/zinc/62/41/88/624624188.db2.gz NTCFNDSBBTYYDD-XJKSGUPXSA-N 0 0 284.355 3.351 10 0 CGAERN C[C@@H](OC(=O)CCCc1cccs1)[C@@H]1CCOC1 ZINC000175265659 624624724 /nfs/dbraw/zinc/62/47/24/624624724.db2.gz MMPKYPVIYSBWLC-VXGBXAGGSA-N 0 0 268.378 3.039 10 0 CGAERN Cc1cccc(C)c1OCCC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000175295386 624628300 /nfs/dbraw/zinc/62/83/00/624628300.db2.gz HGNWOHBMONRWQB-CABCVRRESA-N 0 0 292.375 3.041 10 0 CGAERN C[C@@H](OC(=O)Cc1cccc(F)c1F)C1CCC1 ZINC000181212392 624825564 /nfs/dbraw/zinc/82/55/64/624825564.db2.gz GODYKZKNASUWIP-SECBINFHSA-N 0 0 254.276 3.239 10 0 CGAERN CCC[C@H](CC)OC(=O)C1CCC(C(=O)OC)CC1 ZINC000181259042 624834546 /nfs/dbraw/zinc/83/45/46/624834546.db2.gz MIPWABMJAQAHAU-BPCQOVAHSA-N 0 0 270.369 3.088 10 0 CGAERN CCCn1cc(C(=O)O[C@@H](C)c2nc3ccccc3[nH]2)cn1 ZINC000181585543 624876781 /nfs/dbraw/zinc/87/67/81/624876781.db2.gz PCOYAIDQJDSDSA-NSHDSACASA-N 0 0 298.346 3.087 10 0 CGAERN C/C(=C\c1ccc(C)cc1)C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000181782605 624894408 /nfs/dbraw/zinc/89/44/08/624894408.db2.gz POJBTECLNYHHJY-RNTKJRCOSA-N 0 0 274.360 3.367 10 0 CGAERN CCO[C@H]1C[C@@H](OC(=O)c2oc(C)nc2C)C12CCCC2 ZINC000183126075 625049343 /nfs/dbraw/zinc/04/93/43/625049343.db2.gz XJXJSHCBAJLRBI-QWHCGFSZSA-N 0 0 293.363 3.186 10 0 CGAERN CCCC[N@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000104760164 625720530 /nfs/dbraw/zinc/72/05/30/625720530.db2.gz DFJCRYJSSYMHLT-UHFFFAOYSA-N 0 0 262.397 3.480 10 0 CGAERN CCCCS[C@@H](C)C(=O)O[C@H](C)C1CCOCC1 ZINC000156116579 626059504 /nfs/dbraw/zinc/05/95/04/626059504.db2.gz ZMIWXSQQTGWQOG-NEPJUHHUSA-N 0 0 274.426 3.267 10 0 CGAERN COC[C@@H](C)C(=O)Oc1cccc(C(C)(C)C)c1 ZINC000103358691 626327640 /nfs/dbraw/zinc/32/76/40/626327640.db2.gz RHGHTXJVLTURCN-LLVKDONJSA-N 0 0 250.338 3.172 10 0 CGAERN COC[C@@H](C)C(=O)Oc1ccc2oc3c(c2c1)CCCC3 ZINC000103359548 626328136 /nfs/dbraw/zinc/32/81/36/626328136.db2.gz KQBNQQGAFIFQHU-LLVKDONJSA-N 0 0 288.343 3.500 10 0 CGAERN Cc1ccc(Cl)c(OC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000124738349 634496066 /nfs/dbraw/zinc/49/60/66/634496066.db2.gz XUODNFBTDNPVFE-GXSJLCMTSA-N 0 0 254.713 3.121 10 0 CGAERN C[C@@H]1CC[C@@H](C(=O)OCc2cnc(-c3cccs3)o2)O1 ZINC000125255603 634672677 /nfs/dbraw/zinc/67/26/77/634672677.db2.gz DNJINBIADIJFSM-KOLCDFICSA-N 0 0 293.344 3.014 10 0 CGAERN COc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000003155284 634785958 /nfs/dbraw/zinc/78/59/58/634785958.db2.gz SACSXKTZAZLGJX-UONOGXRCSA-N 0 0 267.328 3.437 10 0 CGAERN COCCc1ccc(OC(=O)[C@@H](C)OCCC(C)C)cc1 ZINC000103637289 630165365 /nfs/dbraw/zinc/16/53/65/630165365.db2.gz QOXPFELDTMNBLV-CQSZACIVSA-N 0 0 294.391 3.232 10 0 CGAERN CCCCOc1ccccc1COC(=O)[C@@H](C)OCC ZINC000103675074 630395001 /nfs/dbraw/zinc/39/50/01/630395001.db2.gz FSAWIDPFLKQCAS-CYBMUJFWSA-N 0 0 280.364 3.334 10 0 CGAERN CN1CCC=C(c2cc(Br)ccc2F)C1 ZINC000757569525 630488770 /nfs/dbraw/zinc/48/87/70/630488770.db2.gz WUPKRSAWCUFOCF-UHFFFAOYSA-N 0 0 270.145 3.307 10 0 CGAERN CCS[C@H](C)c1nc2[nH]ccc2c(NC2CC2)n1 ZINC000757564197 630620808 /nfs/dbraw/zinc/62/08/08/630620808.db2.gz BUZFVYNPLRRURP-MRVPVSSYSA-N 0 0 262.382 3.346 10 0 CGAERN COc1ccc(-c2cccc(OC)c2F)c(F)c1N ZINC000757568577 630621350 /nfs/dbraw/zinc/62/13/50/630621350.db2.gz ROEZGOLKHDJJGO-UHFFFAOYSA-N 0 0 265.259 3.231 10 0 CGAERN CCc1nn(C)c(CC)c1-c1ccc(OC)c(F)c1 ZINC000757570319 630621381 /nfs/dbraw/zinc/62/13/81/630621381.db2.gz BPEJWWDAZFFVBE-UHFFFAOYSA-N 0 0 262.328 3.360 10 0 CGAERN O=C(O[C@@H]1CCCc2ccccc21)[C@H]1CCCOC1 ZINC000102708360 634855014 /nfs/dbraw/zinc/85/50/14/634855014.db2.gz XEZAVVIVOYYAQB-DZGCQCFKSA-N 0 0 260.333 3.034 10 0 CGAERN CS[C@@H](C)C(=O)OCc1nc(Cl)ccc1Cl ZINC000103820262 632300170 /nfs/dbraw/zinc/30/01/70/632300170.db2.gz KHYRJVFXWWHXQX-LURJTMIESA-N 0 0 280.176 3.183 10 0 CGAERN C[C@H](OC(=O)C[C@H]1CCCCO1)c1nc2ccccc2[nH]1 ZINC000120833251 632961275 /nfs/dbraw/zinc/96/12/75/632961275.db2.gz XHDYJYOQDNGCJU-NWDGAFQWSA-N 0 0 288.347 3.126 10 0 CGAERN CCCOc1ccc(COC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000123264841 633625721 /nfs/dbraw/zinc/62/57/21/633625721.db2.gz FXNRTAMIKUHHPC-SWLSCSKDSA-N 0 0 278.348 3.086 10 0 CGAERN CC[C@@H](OC(=O)c1cnn(C)c1C)c1ccc(F)cc1 ZINC000126549819 635053236 /nfs/dbraw/zinc/05/32/36/635053236.db2.gz RHDHYUXFAGFKKW-CQSZACIVSA-N 0 0 276.311 3.176 10 0 CGAERN C[C@@H](O)c1cccc(OCCSC(F)(F)F)c1 ZINC000127731490 635784569 /nfs/dbraw/zinc/78/45/69/635784569.db2.gz ZJUOHTZJZOCDAO-MRVPVSSYSA-N 0 0 266.284 3.372 10 0 CGAERN COC(=O)c1coc(-c2csc(-c3ccco3)n2)c1 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CCc1nc2n(n1)CCC[C@@H]2N[C@@H]1c2ccccc2C[C@H]1C ZINC000245638347 376872294 /nfs/dbraw/zinc/87/22/94/376872294.db2.gz XRNLXDDYRIEYMX-PVUWLOKVSA-N 0 0 296.418 3.199 10 0 CGAERN CCC[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000245989320 376948937 /nfs/dbraw/zinc/94/89/37/376948937.db2.gz IAKBQBSVBAFGLW-VHDGCEQUSA-N 0 0 261.365 3.212 10 0 CGAERN C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)O1 ZINC000246054699 376957770 /nfs/dbraw/zinc/95/77/70/376957770.db2.gz QMFBTNGFCCUSCL-CXTNEJHOSA-N 0 0 277.364 3.147 10 0 CGAERN CC(=O)CCN1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000246364819 377015563 /nfs/dbraw/zinc/01/55/63/377015563.db2.gz NNUUBPOXFNHNAI-WMLDXEAASA-N 0 0 275.392 3.044 10 0 CGAERN Cc1noc(C)c1[C@H](C)CNC(=O)N1CCC[C@H](C)[C@H]1C ZINC000246405538 377024082 /nfs/dbraw/zinc/02/40/82/377024082.db2.gz YPDBATSLRZCEPK-DMDPSCGWSA-N 0 0 293.411 3.225 10 0 CGAERN Cc1noc(C)c1[C@H](C)CNC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000246423608 377027647 /nfs/dbraw/zinc/02/76/47/377027647.db2.gz ASIQLHQMQLKIFP-IJLUTSLNSA-N 0 0 293.411 3.082 10 0 CGAERN CCn1c(C)nnc1CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000246936217 377122703 /nfs/dbraw/zinc/12/27/03/377122703.db2.gz AJKDUTFHYUBSQP-JSGCOSHPSA-N 0 0 288.395 3.173 10 0 CGAERN CC(C)[C@H](C)NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000246595675 377058494 /nfs/dbraw/zinc/05/84/94/377058494.db2.gz ZFDFRTFEZGOWBJ-XJFOESAGSA-N 0 0 252.402 3.394 10 0 CGAERN CC[C@H](C)C[C@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000246724232 377078838 /nfs/dbraw/zinc/07/88/38/377078838.db2.gz DYPYNHWOXKLMQP-ZOBUZTSGSA-N 0 0 290.451 3.100 10 0 CGAERN Cc1nc2cc(NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)ccc2o1 ZINC000246743252 377081411 /nfs/dbraw/zinc/08/14/11/377081411.db2.gz HHKFIUWYGCIYSI-YABSGUDNSA-N 0 0 256.305 3.121 10 0 CGAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000247571617 377226583 /nfs/dbraw/zinc/22/65/83/377226583.db2.gz LKVJNWUZPOQGCH-UPJWGTAASA-N 0 0 283.412 3.001 10 0 CGAERN CC(C)(C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccccc1 ZINC000247630988 377227746 /nfs/dbraw/zinc/22/77/46/377227746.db2.gz USXOKQSWWBHNEI-XHSDSOJGSA-N 0 0 287.403 3.038 10 0 CGAERN CC1(C)[C@H](NC(=O)c2ccc(Cl)c(F)c2)[C@@H]2CCO[C@H]21 ZINC000247854857 377242230 /nfs/dbraw/zinc/24/22/30/377242230.db2.gz XORVTPNESIWRHY-ZWKOPEQDSA-N 0 0 297.757 3.022 10 0 CGAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000247411011 377200433 /nfs/dbraw/zinc/20/04/33/377200433.db2.gz ZCKJPXKBWFNRAL-TWMKSMIVSA-N 0 0 299.414 3.411 10 0 CGAERN C[C@H]1C[C@H](C(=O)N2CCS[C@@H](C)C2)C[C@@H](C)C1 ZINC000248538798 377340187 /nfs/dbraw/zinc/34/01/87/377340187.db2.gz HPKAYKVIORKJKO-QNWHQSFQSA-N 0 0 255.427 3.023 10 0 CGAERN CC[C@@H](C)NC(=O)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000248512527 377335095 /nfs/dbraw/zinc/33/50/95/377335095.db2.gz BLIIPXCVTOUVNN-VXGBXAGGSA-N 0 0 282.815 3.248 10 0 CGAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)n1 ZINC000248326255 377286525 /nfs/dbraw/zinc/28/65/25/377286525.db2.gz BTFHXHBPCSQHFZ-MQYQWHSLSA-N 0 0 290.432 3.204 10 0 CGAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CC=C(c2cccs2)CC1 ZINC000248370355 377296857 /nfs/dbraw/zinc/29/68/57/377296857.db2.gz XJTACQXPNVKWNM-NHAGDIPZSA-N 0 0 273.401 3.410 10 0 CGAERN CCc1ccc([C@@H]2CCCCN2C[C@@H](O)C(F)(F)F)o1 ZINC000248394051 377305868 /nfs/dbraw/zinc/30/58/68/377305868.db2.gz MRRAGHZCKJCAPC-WCQYABFASA-N 0 0 291.313 3.292 10 0 CGAERN C[C@@H]1C[C@H](C(=O)N(C[C@H]2CCOC2)C2CC2)CC(C)(C)C1 ZINC000248564356 377349789 /nfs/dbraw/zinc/34/97/89/377349789.db2.gz NAEAVJNNWSELQI-KFWWJZLASA-N 0 0 293.451 3.476 10 0 CGAERN CC(=O)CC(C)(C)CC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000248948643 377432409 /nfs/dbraw/zinc/43/24/09/377432409.db2.gz CRGVAEWDOHQNSO-JFIYKMOQSA-N 0 0 299.414 3.084 10 0 CGAERN Cc1nc([C@@H]2CCCN2CCO[C@H]2CCCCO2)cs1 ZINC000248835702 377410937 /nfs/dbraw/zinc/41/09/37/377410937.db2.gz NWYGUEPTRUBULO-GJZGRUSLSA-N 0 0 296.436 3.132 10 0 CGAERN C[C@H](C1CC1)n1nccc1NC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000249411753 377501552 /nfs/dbraw/zinc/50/15/52/377501552.db2.gz FKHCXAKIWZMQCR-JHJVBQTASA-N 0 0 290.411 3.364 10 0 CGAERN C[C@@H]1COCC[C@H]1[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000249152501 377471950 /nfs/dbraw/zinc/47/19/50/377471950.db2.gz VHJFTDLKUJFRFT-ZTFGCOKTSA-N 0 0 282.387 3.186 10 0 CGAERN CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)CC[C@H]1C ZINC000249205823 377478451 /nfs/dbraw/zinc/47/84/51/377478451.db2.gz RSENNVKGBROAOP-KBUPBQIOSA-N 0 0 281.440 3.332 10 0 CGAERN CCC1CCC(NC(=O)C[C@H]2CCCCO2)CC1 ZINC000087067679 249021264 /nfs/dbraw/zinc/02/12/64/249021264.db2.gz KOEKXQLGEUUDDP-JXQTWKCFSA-N 0 0 253.386 3.031 10 0 CGAERN COCCOCc1cccc(N[C@@H](C)c2cncs2)c1 ZINC000165143501 542172537 /nfs/dbraw/zinc/17/25/37/542172537.db2.gz MMIIEXGNFAPANA-LBPRGKRZSA-N 0 0 292.404 3.479 10 0 CGAERN C[C@H](CC1CCC1)Nc1cccc(Cn2cncn2)c1 ZINC000165283808 542173191 /nfs/dbraw/zinc/17/31/91/542173191.db2.gz WURDGOSCXIDBKE-CYBMUJFWSA-N 0 0 270.380 3.317 10 0 CGAERN CCCCCC[C@H](C)NC(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000251580697 377588445 /nfs/dbraw/zinc/58/84/45/377588445.db2.gz FENLJGHWFMHMMU-YJNKXOJESA-N 0 0 282.428 3.212 10 0 CGAERN COC[C@H](C)C(=O)N(CC(C)(C)C)CC(C)(C)C ZINC000180632281 542213304 /nfs/dbraw/zinc/21/33/04/542213304.db2.gz SEMGEQUPRPHTIT-LBPRGKRZSA-N 0 0 257.418 3.190 10 0 CGAERN COC(=O)Cc1cc(Br)c(Cl)cc1C ZINC000259870988 377807204 /nfs/dbraw/zinc/80/72/04/377807204.db2.gz CWDPZASCZNHATM-UHFFFAOYSA-N 0 0 277.545 3.126 10 0 CGAERN Cc1noc([C@@H]2CCCCCN2C(=O)CC2CCCC2)n1 ZINC000257184997 377792969 /nfs/dbraw/zinc/79/29/69/377792969.db2.gz VSFRELBEOUBNSO-AWEZNQCLSA-N 0 0 291.395 3.402 10 0 CGAERN CCOC(=O)Cc1cccc(Cl)c1OC(F)(F)F ZINC000575339201 377880855 /nfs/dbraw/zinc/88/08/55/377880855.db2.gz RKGTWEJRSBQWKD-UHFFFAOYSA-N 0 0 282.645 3.344 10 0 CGAERN COc1cc(CO)cc(C(F)(F)F)c1C(F)(F)F ZINC000575340547 377881699 /nfs/dbraw/zinc/88/16/99/377881699.db2.gz LUPUDVPIUNNDSX-UHFFFAOYSA-N 0 0 274.160 3.225 10 0 CGAERN COC(=O)Cc1ccc(OC(F)(F)F)c2ccccc12 ZINC000575341364 377882782 /nfs/dbraw/zinc/88/27/82/377882782.db2.gz HPRUWKNESPIWPO-UHFFFAOYSA-N 0 0 284.233 3.454 10 0 CGAERN CCC(CC)C(=O)c1ccc(N2CCOCC2)cc1 ZINC000575358536 377885974 /nfs/dbraw/zinc/88/59/74/377885974.db2.gz CVAHMQIKAGWQMV-UHFFFAOYSA-N 0 0 261.365 3.142 10 0 CGAERN COC(=O)CCCCC(=O)c1ccc(OC)cc1Cl ZINC000575360422 377887335 /nfs/dbraw/zinc/88/73/35/377887335.db2.gz GWUHGRFXKITJJQ-UHFFFAOYSA-N 0 0 284.739 3.265 10 0 CGAERN COCC(=O)c1cc(OC(F)(F)F)ccc1Cl ZINC000575361492 377887633 /nfs/dbraw/zinc/88/76/33/377887633.db2.gz KLYPWWKQSMBRLN-UHFFFAOYSA-N 0 0 268.618 3.068 10 0 CGAERN CC(=O)OC(C)(C)C(=O)c1cccc(F)c1Cl ZINC000575361523 377887873 /nfs/dbraw/zinc/88/78/73/377887873.db2.gz OTBCAWVCAMHMJB-UHFFFAOYSA-N 0 0 258.676 3.004 10 0 CGAERN CCOC(=O)c1ccc(C(=O)Cc2cccs2)cc1 ZINC000575361768 377888771 /nfs/dbraw/zinc/88/87/71/377888771.db2.gz KRBDKNSLXCQUMH-UHFFFAOYSA-N 0 0 274.341 3.350 10 0 CGAERN COC(=O)CCCC(=O)c1csc2ccccc12 ZINC000575362401 377889114 /nfs/dbraw/zinc/88/91/14/377889114.db2.gz KQJJRABHBXDRRJ-UHFFFAOYSA-N 0 0 262.330 3.427 10 0 CGAERN COc1cc(OC(F)(F)F)c(C(F)(F)F)cn1 ZINC000575375036 377890156 /nfs/dbraw/zinc/89/01/56/377890156.db2.gz DRFFMMYUGGTQGX-UHFFFAOYSA-N 0 0 261.121 3.008 10 0 CGAERN CCOC(=O)c1cc(Cl)c(N)c(C(F)(F)F)c1 ZINC000575380228 377891430 /nfs/dbraw/zinc/89/14/30/377891430.db2.gz OLAOQWUGAYHJOP-UHFFFAOYSA-N 0 0 267.634 3.118 10 0 CGAERN NC(=O)c1ccc(C(F)(F)F)c(C(F)(F)F)c1Cl ZINC000575379406 377891697 /nfs/dbraw/zinc/89/16/97/377891697.db2.gz GKLUVMYWXPHAHS-UHFFFAOYSA-N 0 0 291.578 3.477 10 0 CGAERN CCOC(=O)c1c(N)cc(C(F)(F)F)cc1Cl ZINC000575379950 377891727 /nfs/dbraw/zinc/89/17/27/377891727.db2.gz BCSBQMXJSJGLEU-UHFFFAOYSA-N 0 0 267.634 3.118 10 0 CGAERN COC(=O)Cc1c(Cl)ccc(C(F)(F)F)c1F ZINC000575385121 377894621 /nfs/dbraw/zinc/89/46/21/377894621.db2.gz LAIYUYAEWQITKN-UHFFFAOYSA-N 0 0 270.609 3.213 10 0 CGAERN C[C@H]1CN[C@H](c2ccsc2Br)S1 ZINC000575542423 377917478 /nfs/dbraw/zinc/91/74/78/377917478.db2.gz SJNQKDZBSOWBHB-XNCJUZBTSA-N 0 0 264.213 3.234 10 0 CGAERN O=[N+]([O-])/C=C/[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000575602713 377921626 /nfs/dbraw/zinc/92/16/26/377921626.db2.gz VKNJKOWOROMSNX-ALWPCLGOSA-N 0 0 268.110 3.343 10 0 CGAERN CC(=O)c1ccc(C#N)c(OC(F)F)c1C(F)F ZINC000575638418 377924072 /nfs/dbraw/zinc/92/40/72/377924072.db2.gz AMMJPINLASULQR-UHFFFAOYSA-N 0 0 261.174 3.300 10 0 CGAERN Nc1c(OC(F)(F)F)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575638685 377924315 /nfs/dbraw/zinc/92/43/15/377924315.db2.gz SVBIXYOEDBXJQY-UHFFFAOYSA-N 0 0 290.119 3.094 10 0 CGAERN CC(=O)c1cc(C#N)c(OC(F)(F)F)cc1OC(F)F ZINC000575640046 377924925 /nfs/dbraw/zinc/92/49/25/377924925.db2.gz LSIFLGPVHICKGX-UHFFFAOYSA-N 0 0 295.163 3.261 10 0 CGAERN CCOc1cc(C(C)=O)cc(C(F)(F)F)c1C#N ZINC000575644173 377926357 /nfs/dbraw/zinc/92/63/57/377926357.db2.gz XSHCDLKGQFJYBE-UHFFFAOYSA-N 0 0 257.211 3.178 10 0 CGAERN CCOc1cc(F)cc(OCC)c1Br ZINC000575681519 377955708 /nfs/dbraw/zinc/95/57/08/377955708.db2.gz ZINAAFKDMJFNTN-UHFFFAOYSA-N 0 0 263.106 3.386 10 0 CGAERN COc1cc(C(F)(F)F)cc(OC(F)F)c1OC ZINC000575653157 377930433 /nfs/dbraw/zinc/93/04/33/377930433.db2.gz YMFCNLMFJSYBPN-UHFFFAOYSA-N 0 0 272.169 3.324 10 0 CGAERN CCOc1cc(Br)cc(OCC)c1C(C)=O ZINC000575681005 377955871 /nfs/dbraw/zinc/95/58/71/377955871.db2.gz NVVFSEKTXWSZBB-UHFFFAOYSA-N 0 0 287.153 3.449 10 0 CGAERN CSc1cc(Br)c(OC(F)F)cc1O ZINC000575682377 377955986 /nfs/dbraw/zinc/95/59/86/377955986.db2.gz SUHMHTLOZITNJK-UHFFFAOYSA-N 0 0 285.109 3.478 10 0 CGAERN CCOc1cc(C(F)(F)F)cc(O)c1OC(F)F ZINC000575653666 377931593 /nfs/dbraw/zinc/93/15/93/377931593.db2.gz CTCVNBKSROMTCR-UHFFFAOYSA-N 0 0 272.169 3.411 10 0 CGAERN CCOc1c(O)cc(OC(F)(F)F)cc1OC(F)F ZINC000575653951 377931842 /nfs/dbraw/zinc/93/18/42/377931842.db2.gz IQJCPWKEVBPPDP-UHFFFAOYSA-N 0 0 288.168 3.291 10 0 CGAERN CCc1ccc(OC(F)F)c(CO)c1C(F)(F)F ZINC000575654263 377931946 /nfs/dbraw/zinc/93/19/46/377931946.db2.gz SABYKZWFPISOSS-UHFFFAOYSA-N 0 0 270.197 3.362 10 0 CGAERN CCOc1ccc(C(C)=O)c(OC(F)F)c1CC ZINC000575654914 377932440 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CGAERN CC(=O)c1cc(OC(F)F)c(C=O)c(C(F)(F)F)c1 ZINC000575661442 377938405 /nfs/dbraw/zinc/93/84/05/377938405.db2.gz KMXNITGZSXYSAD-UHFFFAOYSA-N 0 0 282.164 3.322 10 0 CGAERN Cc1cc(C(F)(F)F)cc(CO)c1OC(F)F ZINC000575664097 377940005 /nfs/dbraw/zinc/94/00/05/377940005.db2.gz AURGHEQSAQBXSB-UHFFFAOYSA-N 0 0 256.170 3.108 10 0 CGAERN CCOC(=O)c1c(C(F)(F)F)cncc1C(F)(F)F ZINC000575397574 377904599 /nfs/dbraw/zinc/90/45/99/377904599.db2.gz MWUXYCXSLGAAEE-UHFFFAOYSA-N 0 0 287.159 3.296 10 0 CGAERN COc1c(Cl)c(C)c(Br)cc1C=O ZINC000575423192 377907288 /nfs/dbraw/zinc/90/72/88/377907288.db2.gz RMKVLVVBUNGCJK-UHFFFAOYSA-N 0 0 263.518 3.232 10 0 CGAERN C[C@@H]1Cn2ncc(-c3ccc(Br)cc3)c2C1=O ZINC000575448745 377913356 /nfs/dbraw/zinc/91/33/56/377913356.db2.gz AAZNTTQODQGQOT-MRVPVSSYSA-N 0 0 291.148 3.145 10 0 CGAERN Cc1cc(I)cc(NC2CC2)c1 ZINC000575487276 377914744 /nfs/dbraw/zinc/91/47/44/377914744.db2.gz BMVSQUQNMMLXMQ-UHFFFAOYSA-N 0 0 273.117 3.174 10 0 CGAERN Brc1ccoc1CNc1cnsc1 ZINC000575493660 377914848 /nfs/dbraw/zinc/91/48/48/377914848.db2.gz SPGCQIJMDMDCGT-UHFFFAOYSA-N 0 0 259.128 3.111 10 0 CGAERN Cc1cc(C(F)F)cc(Br)c1CO ZINC000575684183 377959160 /nfs/dbraw/zinc/95/91/60/377959160.db2.gz CQKCRQDGSXEFFV-UHFFFAOYSA-N 0 0 251.070 3.187 10 0 CGAERN COc1c(Br)ccc(C(F)F)c1OC ZINC000575686263 377961168 /nfs/dbraw/zinc/96/11/68/377961168.db2.gz KRDKQSJOAWOLJG-UHFFFAOYSA-N 0 0 267.069 3.404 10 0 CGAERN Cc1cc(Br)cc(CO)c1C(F)F ZINC000575686668 377962230 /nfs/dbraw/zinc/96/22/30/377962230.db2.gz PYGRUIXMUWXWPG-UHFFFAOYSA-N 0 0 251.070 3.187 10 0 CGAERN CC(=O)c1cc(OC(F)(F)F)c(Br)cc1O ZINC000575689934 377965050 /nfs/dbraw/zinc/96/50/50/377965050.db2.gz MYTLBFCWTQCYFR-UHFFFAOYSA-N 0 0 299.042 3.256 10 0 CGAERN CCOc1c(I)cc(C)cc1OC ZINC000575697666 377970741 /nfs/dbraw/zinc/97/07/41/377970741.db2.gz FXFUQTRWVLDEAQ-UHFFFAOYSA-N 0 0 292.116 3.007 10 0 CGAERN CCOC(=O)Cc1cc(OC)c(CC)cc1Cl ZINC000575699580 377972185 /nfs/dbraw/zinc/97/21/85/377972185.db2.gz BCSHPYSSCPSXCF-UHFFFAOYSA-N 0 0 256.729 3.017 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377982605 /nfs/dbraw/zinc/98/26/05/377982605.db2.gz SSYYQNUWPMNRFI-UHFFFAOYSA-N 0 0 252.619 3.454 10 0 CGAERN CCc1cc(N)c(Br)c(OC(F)F)c1 ZINC000575722329 377983257 /nfs/dbraw/zinc/98/32/57/377983257.db2.gz HBTAFFKYAWPGHF-UHFFFAOYSA-N 0 0 266.085 3.195 10 0 CGAERN CCOC(=O)c1cc(C(F)(F)F)c(N)cc1CC ZINC000575725180 377983779 /nfs/dbraw/zinc/98/37/79/377983779.db2.gz URJLUKWMHIOZKB-UHFFFAOYSA-N 0 0 261.243 3.027 10 0 CGAERN COc1cc(CO)cc(C(F)(F)F)c1OC(F)(F)F ZINC000575731053 377984914 /nfs/dbraw/zinc/98/49/14/377984914.db2.gz XOTSHVJOMAGEDM-UHFFFAOYSA-N 0 0 290.159 3.105 10 0 CGAERN CCn1ccnc1CNc1cccc(F)c1Cl ZINC000345357754 378267458 /nfs/dbraw/zinc/26/74/58/378267458.db2.gz LKEZYKZMUDWSAO-UHFFFAOYSA-N 0 0 253.708 3.308 10 0 CGAERN Cn1nccc1-c1cnc2ccc(C(F)(F)F)cc2n1 ZINC000584647800 378396268 /nfs/dbraw/zinc/39/62/68/378396268.db2.gz HJQOSJXQCSRRNB-UHFFFAOYSA-N 0 0 278.237 3.049 10 0 CGAERN CCOC(=O)c1ccc(OC(F)(F)F)c(OCC)c1 ZINC000616575103 378409690 /nfs/dbraw/zinc/40/96/90/378409690.db2.gz AGJDQEGRLNCTIR-UHFFFAOYSA-N 0 0 278.226 3.161 10 0 CGAERN Cc1ccc([C@@H](C)NC(=O)c2csc(Cl)n2)o1 ZINC000274415374 378829911 /nfs/dbraw/zinc/82/99/11/378829911.db2.gz COEYFYFMVORDQW-SSDOTTSWSA-N 0 0 270.741 3.189 10 0 CGAERN CC(C)(C)[C@H](O)CNc1nc(-c2ccccc2)ns1 ZINC000266361236 190251693 /nfs/dbraw/zinc/25/16/93/190251693.db2.gz KSIJLESMHVHNQO-LLVKDONJSA-N 0 0 277.393 3.024 10 0 CGAERN Cc1c(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)ccn1C ZINC000192527691 542266302 /nfs/dbraw/zinc/26/63/02/542266302.db2.gz PTAQCSQDGIECKW-HNNXBMFYSA-N 0 0 298.386 3.366 10 0 CGAERN O=C(c1cccnc1Cl)N1CCC12CCCCC2 ZINC000373070659 379218139 /nfs/dbraw/zinc/21/81/39/379218139.db2.gz OXFBNONUBSWMSP-UHFFFAOYSA-N 0 0 264.756 3.284 10 0 CGAERN CC[C@H](O)Cc1nc(C(C2CCC2)C2CCC2)no1 ZINC000349620189 379320873 /nfs/dbraw/zinc/32/08/73/379320873.db2.gz CUPPRQRKBDERJS-LBPRGKRZSA-N 0 0 264.369 3.067 10 0 CGAERN CC(C)[C@@H](C)CC(=O)N1CCCCC[C@H]1c1ncon1 ZINC000374913532 379482027 /nfs/dbraw/zinc/48/20/27/379482027.db2.gz 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/nfs/dbraw/zinc/00/52/02/380005202.db2.gz FCOFMOLRHKUBDD-ICCXJUOJSA-N 0 0 292.354 3.136 10 0 CGAERN C[C@@H]1CCC[C@@H]1C(=O)Nc1ncc(Br)s1 ZINC000226590089 542292203 /nfs/dbraw/zinc/29/22/03/542292203.db2.gz CQINRMVGHHIBHD-RQJHMYQMSA-N 0 0 289.198 3.280 10 0 CGAERN CCC[C@H](C)c1nn2c(c1Br)NCCC2 ZINC000233342344 542307945 /nfs/dbraw/zinc/30/79/45/542307945.db2.gz LDZJEJKGVQPMGC-QMMMGPOBSA-N 0 0 272.190 3.365 10 0 CGAERN CCc1nn2c(c1Br)NCC[C@H]2C(C)C ZINC000234187313 542308616 /nfs/dbraw/zinc/30/86/16/542308616.db2.gz VDPYRNRMCYGYFX-VIFPVBQESA-N 0 0 272.190 3.221 10 0 CGAERN COc1cc([C@@H](O)CC(C)C)cc(Cl)c1OC ZINC000037895532 184544210 /nfs/dbraw/zinc/54/42/10/184544210.db2.gz BLZFZDYDPANJLL-NSHDSACASA-N 0 0 258.745 3.437 10 0 CGAERN O=C(N[C@H]1CCSc2ccccc21)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250850016 542344649 /nfs/dbraw/zinc/34/46/49/542344649.db2.gz LJMHBIJTFRGHQP-OPDFLTKYSA-N 0 0 273.401 3.386 10 0 CGAERN O=C([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccccc2)cc1 ZINC000263576969 304244141 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TYWWHDOVSUDRBA-UHFFFAOYSA-N 0 0 274.995 3.192 10 0 CGAERN C[C@H]1N(Cc2ccccc2)CC[C@]12[NH2+]C(C)(C)CS2 ZINC000307454305 346462674 /nfs/dbraw/zinc/46/26/74/346462674.db2.gz WEUGPWWLDDFBOF-CZUORRHYSA-N 0 0 276.449 3.092 10 0 CGAERN CC(C)(c1nnc(Br)s1)C1CCC1 ZINC000307609858 346464184 /nfs/dbraw/zinc/46/41/84/346464184.db2.gz GUZZVDPZZRAACT-UHFFFAOYSA-N 0 0 261.188 3.378 10 0 CGAERN CCC[C@@H](NO)c1ccc(F)cc1Br ZINC000308382078 346467157 /nfs/dbraw/zinc/46/71/57/346467157.db2.gz WIKADPLHSXIHGO-SNVBAGLBSA-N 0 0 262.122 3.408 10 0 CGAERN CC(=O)OCC(=O)c1cc(Cl)cc(Cl)c1Cl ZINC000309231143 346468466 /nfs/dbraw/zinc/46/84/66/346468466.db2.gz XHNTVUCKZLRXBQ-UHFFFAOYSA-N 0 0 281.522 3.393 10 0 CGAERN Clc1nc2ccsc2c(N2CCCCC2)n1 ZINC000309155297 346468708 /nfs/dbraw/zinc/46/87/08/346468708.db2.gz PEGYYZXXPLSJCI-UHFFFAOYSA-N 0 0 253.758 3.335 10 0 CGAERN Nc1c2c(ccc1Br)-c1ccccc1C2=O ZINC000309217182 346468739 /nfs/dbraw/zinc/46/87/39/346468739.db2.gz LMNAHVHCGSZCOW-UHFFFAOYSA-N 0 0 274.117 3.243 10 0 CGAERN CC(=O)Cc1cc2c(c(OCc3ccccc3)c1)OCO2 ZINC000382691062 346560751 /nfs/dbraw/zinc/56/07/51/346560751.db2.gz IEKOAUAJBMPFFT-UHFFFAOYSA-N 0 0 284.311 3.126 10 0 CGAERN CSc1nnc(C)c(C=CNc2ccc(F)cc2)n1 ZINC000100381399 185713898 /nfs/dbraw/zinc/71/38/98/185713898.db2.gz QEYQECQAZMIWSQ-FPLPWBNLSA-N 0 0 276.340 3.124 10 0 CGAERN N#CCc1c(Br)c(N)ccc1C(F)(F)F ZINC000396051267 346578725 /nfs/dbraw/zinc/57/87/25/346578725.db2.gz LVIBYRVJMUHBRC-UHFFFAOYSA-N 0 0 279.059 3.116 10 0 CGAERN N#CCc1cc(N)c(Br)cc1C(F)(F)F ZINC000396054079 346578815 /nfs/dbraw/zinc/57/88/15/346578815.db2.gz QBRLYHHJSCURFJ-UHFFFAOYSA-N 0 0 279.059 3.116 10 0 CGAERN CC(=O)c1cc(C(F)(F)F)cc(N)c1Br ZINC000396060124 346579447 /nfs/dbraw/zinc/57/94/47/346579447.db2.gz ZGTFHBRWOGAQMI-UHFFFAOYSA-N 0 0 282.059 3.253 10 0 CGAERN CCOC(=O)c1c(CC)ccc(Br)c1C#N ZINC000396093763 346579474 /nfs/dbraw/zinc/57/94/74/346579474.db2.gz IXLNRZXGHGIYAZ-UHFFFAOYSA-N 0 0 282.137 3.060 10 0 CGAERN CCOC(=O)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC000409428696 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CGAERN Nc1cccc(NC(=O)NCc2ccc(Cl)cc2)c1 ZINC000020545869 171243770 /nfs/dbraw/zinc/24/37/70/171243770.db2.gz WHLJOVXTASWLHF-UHFFFAOYSA-N 0 0 275.739 3.244 10 0 CGAERN CCc1ccc(OCc2ccc(OC)c(N)c2)cc1 ZINC000020553291 171248697 /nfs/dbraw/zinc/24/86/97/171248697.db2.gz LMLFBTBZDJVPSP-UHFFFAOYSA-N 0 0 257.333 3.419 10 0 CGAERN Cc1cnn([C@H]2CCC(C)(C)c3ccccc32)c1N ZINC000020578504 171256718 /nfs/dbraw/zinc/25/67/18/171256718.db2.gz MHLOLVKBZWRRHZ-AWEZNQCLSA-N 0 0 255.365 3.435 10 0 CGAERN COc1cc(C)ccc1Oc1ccc(Cl)nn1 ZINC000020849413 171275846 /nfs/dbraw/zinc/27/58/46/171275846.db2.gz OREQCGBXDWLAJC-UHFFFAOYSA-N 0 0 250.685 3.239 10 0 CGAERN Nc1cc(F)ccc1-c1nc(-c2cccs2)no1 ZINC000021007619 171285084 /nfs/dbraw/zinc/28/50/84/171285084.db2.gz RLBGYWYALOTCPV-UHFFFAOYSA-N 0 0 261.281 3.186 10 0 CGAERN CCOC(=O)Nc1c(F)cc(F)cc1Br ZINC000021270971 171300472 /nfs/dbraw/zinc/30/04/72/171300472.db2.gz YKHHHJSUBUGXIT-UHFFFAOYSA-N 0 0 280.068 3.296 10 0 CGAERN Nc1ccc(NC(=O)c2cccc(O)c2)cc1C(F)(F)F 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/nfs/dbraw/zinc/03/56/81/172035681.db2.gz WVAGAEHLPUGOHX-UHFFFAOYSA-N 0 0 290.290 3.105 10 0 CGAERN COc1ccc(C(=O)COc2cccc(C)c2)cc1 ZINC000035183728 172037390 /nfs/dbraw/zinc/03/73/90/172037390.db2.gz MNNRAWMQKXIQPF-UHFFFAOYSA-N 0 0 256.301 3.265 10 0 CGAERN C[C@H](O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 ZINC000035188717 172043564 /nfs/dbraw/zinc/04/35/64/172043564.db2.gz SODHAOGZKOBSSZ-VIFPVBQESA-N 0 0 277.270 3.270 10 0 CGAERN CCOC(=O)c1ccc(N[C@@H](C)c2cccs2)nc1 ZINC000035207715 172052906 /nfs/dbraw/zinc/05/29/06/172052906.db2.gz IIKRZERYCZTLPW-JTQLQIEISA-N 0 0 276.361 3.493 10 0 CGAERN O=C(c1ccc(O)cc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000035219394 172059506 /nfs/dbraw/zinc/05/95/06/172059506.db2.gz YCQQXWPUEZXBEG-WFASDCNBSA-N 0 0 259.349 3.187 10 0 CGAERN CN(Cc1ccccc1)c1ccc(N)c2cnccc21 ZINC000035332384 172131015 /nfs/dbraw/zinc/13/10/15/172131015.db2.gz SSUAUBSMYDDBSM-UHFFFAOYSA-N 0 0 263.344 3.453 10 0 CGAERN CCCCCC[C@@H](C)Oc1ccc(C(N)=O)cc1N ZINC000035332024 172131226 /nfs/dbraw/zinc/13/12/26/172131226.db2.gz WOCUTAVMZGSBFI-LLVKDONJSA-N 0 0 264.369 3.105 10 0 CGAERN C[C@@H]([NH2+]Cc1sc2ccccc2c1Cl)C(=O)[O-] ZINC000035387025 172168566 /nfs/dbraw/zinc/16/85/66/172168566.db2.gz GPHXRPHJIYSXLE-SSDOTTSWSA-N 0 0 269.753 3.117 10 0 CGAERN Cc1ccc(Oc2nc3sccn3c2C=O)cc1 ZINC000035428503 172196875 /nfs/dbraw/zinc/19/68/75/172196875.db2.gz UJFVGCMFCZKSMY-UHFFFAOYSA-N 0 0 258.302 3.309 10 0 CGAERN CN[C@H](c1cc(Br)ccc1OC)C(F)(F)F ZINC000035456088 172206903 /nfs/dbraw/zinc/20/69/03/172206903.db2.gz LAXALIQEFIQOAL-SECBINFHSA-N 0 0 298.102 3.281 10 0 CGAERN CN[C@H](c1ccccc1OC)c1cc(F)ccc1F ZINC000035468759 172218285 /nfs/dbraw/zinc/21/82/85/172218285.db2.gz BRNLBAGBHPWLHA-OAHLLOKOSA-N 0 0 263.287 3.282 10 0 CGAERN CN[C@H](c1ccccc1)c1c(F)cc(F)cc1F ZINC000035469419 172219369 /nfs/dbraw/zinc/21/93/69/172219369.db2.gz NVMDMJHSCCEIGF-CQSZACIVSA-N 0 0 251.251 3.413 10 0 CGAERN CCC[C@H](C)C(=O)Nc1cccc(Br)n1 ZINC000035678804 172349474 /nfs/dbraw/zinc/34/94/74/172349474.db2.gz HHQMPTNTLPLSNE-QMMMGPOBSA-N 0 0 271.158 3.219 10 0 CGAERN COC(=O)C[C@H](C)Nc1ccccc1C(F)(F)F ZINC000035747806 172395688 /nfs/dbraw/zinc/39/56/88/172395688.db2.gz VGEPSORIOAFGRL-QMMMGPOBSA-N 0 0 261.243 3.069 10 0 CGAERN COC(=O)[C@@H](C)CNc1ccccc1SC(F)F ZINC000035757721 172397862 /nfs/dbraw/zinc/39/78/62/172397862.db2.gz UOPGHSPWORMLPT-QMMMGPOBSA-N 0 0 275.320 3.222 10 0 CGAERN Cc1n[nH]c(C)c1C(=O)Nc1ccc(F)cc1Cl ZINC000036164675 172482313 /nfs/dbraw/zinc/48/23/13/172482313.db2.gz RHKVMJWBAOXGFC-UHFFFAOYSA-N 0 0 267.691 3.071 10 0 CGAERN CCc1cc(C(=O)N(C)Cc2cn(CC)nc2C)cs1 ZINC000036613099 172640407 /nfs/dbraw/zinc/64/04/07/172640407.db2.gz PXHLETYVPMTJEZ-UHFFFAOYSA-N 0 0 291.420 3.108 10 0 CGAERN Cc1c(N)cccc1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000036875182 172771765 /nfs/dbraw/zinc/77/17/65/172771765.db2.gz MWPGMAXRNFZWSS-ZIBATOQPSA-N 0 0 260.381 3.132 10 0 CGAERN Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)c2cccnc12 ZINC000126786644 287273243 /nfs/dbraw/zinc/27/32/43/287273243.db2.gz KZPLSXUCNXUQHQ-FZMZJTMJSA-N 0 0 270.332 3.049 10 0 CGAERN CC(C)NC(=O)c1cccc(NCc2ccsc2)c1 ZINC000036995848 172856515 /nfs/dbraw/zinc/85/65/15/172856515.db2.gz CWFKWWZGXXKNSI-UHFFFAOYSA-N 0 0 274.389 3.498 10 0 CGAERN COCCn1cc(N[C@@H](C)c2ccc(SC)cc2)cn1 ZINC000037090482 172946425 /nfs/dbraw/zinc/94/64/25/172946425.db2.gz OHTNQXHJIWWGGP-LBPRGKRZSA-N 0 0 291.420 3.425 10 0 CGAERN Nc1ccc(COc2ccccc2)c2ncccc12 ZINC000037274491 173086475 /nfs/dbraw/zinc/08/64/75/173086475.db2.gz RIWBPDLUXUDNCS-UHFFFAOYSA-N 0 0 250.301 3.396 10 0 CGAERN Cc1ccc([C@@H](C)NCc2cnn(C(C)(C)C)c2)o1 ZINC000037280839 173089327 /nfs/dbraw/zinc/08/93/27/173089327.db2.gz NIPOHYKUPDOSAY-GFCCVEGCSA-N 0 0 261.369 3.390 10 0 CGAERN CC(C)c1cc(N)n(-c2ccc(Br)cc2)n1 ZINC000037291314 173096822 /nfs/dbraw/zinc/09/68/22/173096822.db2.gz KKXDOAPEOVEOCD-UHFFFAOYSA-N 0 0 280.169 3.340 10 0 CGAERN C[C@H](Nc1ccccc1CC(N)=O)C1CCCCC1 ZINC000037315436 173116817 /nfs/dbraw/zinc/11/68/17/173116817.db2.gz NKRDPSBMMONYFM-LBPRGKRZSA-N 0 0 260.381 3.095 10 0 CGAERN C[C@@H](C(=O)c1ccc(F)cc1F)N1CCCCCC1 ZINC000037332641 173133448 /nfs/dbraw/zinc/13/34/48/173133448.db2.gz YTFHPVSXXIWPKO-NSHDSACASA-N 0 0 267.319 3.412 10 0 CGAERN CCC(CC)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000037365152 173154010 /nfs/dbraw/zinc/15/40/10/173154010.db2.gz WVIHVNBUXRZOEL-SECBINFHSA-N 0 0 261.321 3.025 10 0 CGAERN COc1cccc(OC)c1Oc1cccc(F)c1N ZINC000037419959 173197482 /nfs/dbraw/zinc/19/74/82/173197482.db2.gz FDOMYSBNIIRRPF-UHFFFAOYSA-N 0 0 263.268 3.217 10 0 CGAERN CCOC(=O)[C@@](CC)(NC1CC1)c1cccc(Cl)c1 ZINC000037514314 173246271 /nfs/dbraw/zinc/24/62/71/173246271.db2.gz PJRGYGIEZZKELX-HNNXBMFYSA-N 0 0 281.783 3.260 10 0 CGAERN Clc1ccc(NC[C@H]2CCOC2)c2ncccc12 ZINC000037767120 173696546 /nfs/dbraw/zinc/69/65/46/173696546.db2.gz LZFPAWQORQJSAK-SNVBAGLBSA-N 0 0 262.740 3.337 10 0 CGAERN CCOC(=O)c1c(N)scc1-c1ccc(N(C)C)cc1 ZINC000037902530 173833336 /nfs/dbraw/zinc/83/33/36/173833336.db2.gz YAZWNGDLKIJVLM-UHFFFAOYSA-N 0 0 290.388 3.240 10 0 CGAERN C[C@@]([NH2+]C1CCCC1)(C(=O)[O-])c1cccc(Cl)c1 ZINC000037968807 173916430 /nfs/dbraw/zinc/91/64/30/173916430.db2.gz NNHPDBRZRFRCIR-AWEZNQCLSA-N 0 0 267.756 3.172 10 0 CGAERN COc1ccccc1[C@H]([NH2+]C1CCCCCC1)C(=O)[O-] ZINC000037972456 173925454 /nfs/dbraw/zinc/92/54/54/173925454.db2.gz ZLVGEECRPPJUMQ-HNNXBMFYSA-N 0 0 277.364 3.133 10 0 CGAERN CCOC(=O)[C@@H](NCC(F)(F)F)c1ccc(C)c(C)c1 ZINC000037973928 173927916 /nfs/dbraw/zinc/92/79/16/173927916.db2.gz UFTQTKCGPLQSER-LBPRGKRZSA-N 0 0 289.297 3.060 10 0 CGAERN Cc1ccc([C@@H](C)NCC(=O)Nc2c(F)cccc2F)o1 ZINC000037976253 173931669 /nfs/dbraw/zinc/93/16/69/173931669.db2.gz KAHCJBOMEHGLGE-SNVBAGLBSA-N 0 0 294.301 3.156 10 0 CGAERN Cc1ccc([C@H](C)Nc2cc(C)cc3ncnn32)o1 ZINC000037979415 173937984 /nfs/dbraw/zinc/93/79/84/173937984.db2.gz QBAKHRGEHIFPAC-NSHDSACASA-N 0 0 256.309 3.112 10 0 CGAERN Cc1sc2ncnc(NCC[C@@H]3CCCO3)c2c1C ZINC000037981302 173940862 /nfs/dbraw/zinc/94/08/62/173940862.db2.gz IYJVVLFYOYLPNB-NSHDSACASA-N 0 0 277.393 3.289 10 0 CGAERN 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/nfs/dbraw/zinc/18/53/64/172185364.db2.gz XFXFZRPNVPHDAJ-UHFFFAOYSA-N 0 0 284.764 3.481 10 0 CGAERN CN[C@H](c1ccc(F)cc1)c1c(F)cccc1F ZINC000035463775 172211912 /nfs/dbraw/zinc/21/19/12/172211912.db2.gz IGWDYFMOWYGHEI-CQSZACIVSA-N 0 0 251.251 3.413 10 0 CGAERN C[C@H](O)c1ccc(Oc2ccc3c(c2)OCO3)cc1 ZINC000035631930 172314204 /nfs/dbraw/zinc/31/42/04/172314204.db2.gz VKGYCIVCZVIMMZ-JTQLQIEISA-N 0 0 258.273 3.261 10 0 CGAERN C[C@@H](O)c1cc(F)ccc1Oc1ccc2c(c1)OCO2 ZINC000035631935 172314250 /nfs/dbraw/zinc/31/42/50/172314250.db2.gz NTYUMHFGEPBARN-SECBINFHSA-N 0 0 276.263 3.400 10 0 CGAERN C[C@@H](O)c1ccc(Oc2ccc3c(c2)OCO3)c(F)c1 ZINC000035631933 172314368 /nfs/dbraw/zinc/31/43/68/172314368.db2.gz WSEGVSPMVNLZCS-SECBINFHSA-N 0 0 276.263 3.400 10 0 CGAERN CCOCCOc1c(Cl)cc(Cl)cc1C=O ZINC000035662237 172340339 /nfs/dbraw/zinc/34/03/39/172340339.db2.gz YDBMXKLGZIYQCC-UHFFFAOYSA-N 0 0 263.120 3.221 10 0 CGAERN O=C(Cc1cccs1)Nc1cccc(Br)n1 ZINC000035678563 172349138 /nfs/dbraw/zinc/34/91/38/172349138.db2.gz CSPJOECHWYXMIE-UHFFFAOYSA-N 0 0 297.177 3.087 10 0 CGAERN C[C@@H](CCc1ccc(OC(F)F)cc1)Nc1cnn(C)c1 ZINC000035737705 172391178 /nfs/dbraw/zinc/39/11/78/172391178.db2.gz HBLMAOGCXKAEKR-NSHDSACASA-N 0 0 295.333 3.455 10 0 CGAERN C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccco1 ZINC000035738805 172392348 /nfs/dbraw/zinc/39/23/48/172392348.db2.gz ZSPZKIPIXLRXEB-VXGBXAGGSA-N 0 0 293.388 3.095 10 0 CGAERN COC(=O)[C@@H](C)CNc1ccc(Cl)cc1Cl ZINC000035757652 172397705 /nfs/dbraw/zinc/39/77/05/172397705.db2.gz KMTAXNODVJGBMB-ZETCQYMHSA-N 0 0 262.136 3.214 10 0 CGAERN COC(=O)CCN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035791377 172417873 /nfs/dbraw/zinc/41/78/73/172417873.db2.gz OGMZZRMSLCCIAM-ZETCQYMHSA-N 0 0 294.153 3.346 10 0 CGAERN CCCc1cc(=O)c2cc(Cl)cc(OC)c2[nH]1 ZINC000036075745 172431800 /nfs/dbraw/zinc/43/18/00/172431800.db2.gz TVHKMVGCGFUZDP-UHFFFAOYSA-N 0 0 251.713 3.143 10 0 CGAERN COc1ccc(CCN(C)C(=O)c2cccs2)cc1 ZINC000036111537 172443747 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/nfs/dbraw/zinc/09/20/69/173092069.db2.gz GQNSCDMMXUIAIX-QMMMGPOBSA-N 0 0 272.801 3.392 10 0 CGAERN Cc1ncsc1[C@H](C)Nc1ccc(C(N)=O)cc1C ZINC000037294270 173098496 /nfs/dbraw/zinc/09/84/96/173098496.db2.gz PIUHBMIHBXDPFP-JTQLQIEISA-N 0 0 275.377 3.032 10 0 CGAERN Cc1ncsc1[C@H](C)[NH2+][C@H](CC(=O)[O-])c1cccs1 ZINC000037305067 173109606 /nfs/dbraw/zinc/10/96/06/173109606.db2.gz QZNGDBJTBBPEHN-VHSXEESVSA-N 0 0 296.417 3.380 10 0 CGAERN Cn1nc(-c2ccoc2)c(-c2cccc(F)c2)c1N ZINC000037351999 173145241 /nfs/dbraw/zinc/14/52/41/173145241.db2.gz KBXUIZMCVPUPTD-UHFFFAOYSA-N 0 0 257.268 3.068 10 0 CGAERN CSc1ccc([C@@H](C(=O)[O-])[NH+]2CCCCC2)cc1 ZINC000037361944 173151064 /nfs/dbraw/zinc/15/10/64/173151064.db2.gz BYCOMIQYUPVZAM-ZDUSSCGKSA-N 0 0 265.378 3.020 10 0 CGAERN Cc1cc(C)c([C@@H](C(=O)[O-])[NH+]2CCCCC2)c(C)c1 ZINC000037362014 173151760 /nfs/dbraw/zinc/15/17/60/173151760.db2.gz SEQGDRDHHCXSAE-HNNXBMFYSA-N 0 0 261.365 3.223 10 0 CGAERN Cc1ccc(C)c(-n2c(N)nc3c2cccc3F)c1 ZINC000037421289 173198528 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ZINC000132052805 346070327 /nfs/dbraw/zinc/07/03/27/346070327.db2.gz QNQJPLCHWQXBOD-LURJTMIESA-N 0 0 256.099 3.235 10 0 CGAERN O=C([C@H]1C[C@@H]1C1CCCCC1)N1CC(=O)Nc2ccccc21 ZINC000132369978 346071739 /nfs/dbraw/zinc/07/17/39/346071739.db2.gz RQAPUQFWRGELQO-KGLIPLIRSA-N 0 0 298.386 3.188 10 0 CGAERN Clc1ccc(Br)c(N2CC=CC2)c1 ZINC000133498594 346077845 /nfs/dbraw/zinc/07/78/45/346077845.db2.gz YTPVOXCCIVWHOE-UHFFFAOYSA-N 0 0 258.546 3.479 10 0 CGAERN Cc1cc(I)cc(C(C)C)c1N ZINC000135955855 346089463 /nfs/dbraw/zinc/08/94/63/346089463.db2.gz XXYLLNHTOYKGFI-UHFFFAOYSA-N 0 0 275.133 3.305 10 0 CGAERN Cc1cn2cccc(OCc3c(F)cccc3F)c2n1 ZINC000140769598 346106236 /nfs/dbraw/zinc/10/62/36/346106236.db2.gz TYESJRXTDDADTK-UHFFFAOYSA-N 0 0 274.270 3.500 10 0 CGAERN COC(=O)c1ccc(Br)c(C(F)F)c1 ZINC000140862781 346106414 /nfs/dbraw/zinc/10/64/14/346106414.db2.gz DVIUYXNLLVZDJM-UHFFFAOYSA-N 0 0 265.053 3.173 10 0 CGAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccon2)o1 ZINC000128328787 187364927 /nfs/dbraw/zinc/36/49/27/187364927.db2.gz QZKKVIOZLFYCOS-CYBMUJFWSA-N 0 0 274.320 3.197 10 0 CGAERN COc1ccc(C(=O)c2ccc(OC)cc2F)c(C)c1 ZINC000130916777 346061785 /nfs/dbraw/zinc/06/17/85/346061785.db2.gz RHIZBYJYLSOILA-UHFFFAOYSA-N 0 0 274.291 3.382 10 0 CGAERN CC1(C)C(c2ccccc2)=[N+]([O-])[C@@H](c2ccccc2)N1O ZINC000140444480 346104727 /nfs/dbraw/zinc/10/47/27/346104727.db2.gz FETUVTWGGKPTGQ-MRXNPFEDSA-N 0 0 283.351 3.060 10 0 CGAERN Fc1cc(Br)cc2c1NC(=S)CC2 ZINC000141923824 346110281 /nfs/dbraw/zinc/11/02/81/346110281.db2.gz URRIZHCIWULPDU-UHFFFAOYSA-N 0 0 260.131 3.274 10 0 CGAERN C#CC[C@@H](C/C=C/c1ccc(OC)cc1)C(=O)OCC ZINC000142556454 346111307 /nfs/dbraw/zinc/11/13/07/346111307.db2.gz NOSWROCANZGIHQ-VFADXPBXSA-N 0 0 272.344 3.301 10 0 CGAERN COC(=O)CC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000143697385 346114557 /nfs/dbraw/zinc/11/45/57/346114557.db2.gz LEEMRUWMBTVSBL-GFCCVEGCSA-N 0 0 262.349 3.121 10 0 CGAERN Nc1cccc(Oc2nc(Cl)ncc2Cl)c1 ZINC000144135562 346116686 /nfs/dbraw/zinc/11/66/86/346116686.db2.gz LNVQZONPBSYHPW-UHFFFAOYSA-N 0 0 256.092 3.158 10 0 CGAERN CCOP(=O)(CC(=O)Nc1cccc(F)c1)OCC ZINC000144185471 346117167 /nfs/dbraw/zinc/11/71/67/346117167.db2.gz NLIPLUNYUHOCHU-UHFFFAOYSA-N 0 0 289.243 3.030 10 0 CGAERN COc1ccc(C[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000144676716 346118403 /nfs/dbraw/zinc/11/84/03/346118403.db2.gz XRMVTXXWZVDJAU-NSHDSACASA-N 0 0 250.338 3.216 10 0 CGAERN COC(=O)c1cnc2nc(-c3ccccc3)c(Cl)nc2c1 ZINC000144758548 346119033 /nfs/dbraw/zinc/11/90/33/346119033.db2.gz UDIIAHWWLHBGEN-UHFFFAOYSA-N 0 0 299.717 3.132 10 0 CGAERN CC(C)(C)[C@H](O)c1ccccc1I ZINC000145170409 346119719 /nfs/dbraw/zinc/11/97/19/346119719.db2.gz VZYTUBNLMPPGJV-SNVBAGLBSA-N 0 0 290.144 3.371 10 0 CGAERN CCNC(=O)Nc1cc2cccc(Br)c2cn1 ZINC000149920460 346131524 /nfs/dbraw/zinc/13/15/24/346131524.db2.gz SZLWQAXUFNWIQR-UHFFFAOYSA-N 0 0 294.152 3.139 10 0 CGAERN Cc1nc(Cl)cc(N2CC[C@H](C)C[C@H](C)C2)n1 ZINC000301771667 293279989 /nfs/dbraw/zinc/27/99/89/293279989.db2.gz LFTFQKWYZPBIJC-UWVGGRQHSA-N 0 0 253.777 3.311 10 0 CGAERN O[C@H](Cc1ccccc1Br)C(F)(F)Cl ZINC000158715978 346165680 /nfs/dbraw/zinc/16/56/80/346165680.db2.gz DIFKCHYHDCPAQU-MRVPVSSYSA-N 0 0 285.515 3.184 10 0 CGAERN O=C(Cc1cncs1)c1cc(Br)cs1 ZINC000159690199 346168601 /nfs/dbraw/zinc/16/86/01/346168601.db2.gz VCEONLFFJZRWOS-UHFFFAOYSA-N 0 0 288.191 3.393 10 0 CGAERN Cc1cccc(Oc2cc(Br)ncn2)c1 ZINC000160453733 346170816 /nfs/dbraw/zinc/17/08/16/346170816.db2.gz HHHYIZMYOXRAQG-UHFFFAOYSA-N 0 0 265.110 3.340 10 0 CGAERN Clc1cc(Br)ccc1[C@H]1NCCS1 ZINC000161098737 346174582 /nfs/dbraw/zinc/17/45/82/346174582.db2.gz PJHFUIKVQPCVRU-VIFPVBQESA-N 0 0 278.602 3.438 10 0 CGAERN O=C(c1cscc1Br)[C@H]1CCSC1 ZINC000161295128 346175146 /nfs/dbraw/zinc/17/51/46/346175146.db2.gz QPKMASMXXQNSPD-LURJTMIESA-N 0 0 277.208 3.446 10 0 CGAERN O=C(Nc1ccc(F)cn1)[C@H]1C[C@H]1C1CCCCC1 ZINC000154293907 346148475 /nfs/dbraw/zinc/14/84/75/346148475.db2.gz ASWXXEITHOBMFY-STQMWFEESA-N 0 0 262.328 3.376 10 0 CGAERN C[C@H](Cc1cccc(F)c1Br)[C@H](C)O ZINC000157531129 346161717 /nfs/dbraw/zinc/16/17/17/346161717.db2.gz YRRMGHSPBZMRPT-SFYZADRCSA-N 0 0 261.134 3.148 10 0 CGAERN C[C@H]1C[C@H]1NC(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000170806023 346199146 /nfs/dbraw/zinc/19/91/46/346199146.db2.gz FYSJILIHRXUDBH-GXFFZTMASA-N 0 0 278.783 3.079 10 0 CGAERN C[C@H]1C[C@@H]1NC(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000170807821 346199552 /nfs/dbraw/zinc/19/95/52/346199552.db2.gz IBSOCSOVORVGCU-LRDDRELGSA-N 0 0 290.382 3.198 10 0 CGAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000170829424 346199810 /nfs/dbraw/zinc/19/98/10/346199810.db2.gz PPYVJMGQKGVTIU-SKDRFNHKSA-N 0 0 290.754 3.056 10 0 CGAERN C[C@@H]1CCNc2cc(Br)cnc2S1 ZINC000162746051 346179364 /nfs/dbraw/zinc/17/93/64/346179364.db2.gz DGCLEAQFOPGAED-ZCFIWIBFSA-N 0 0 259.172 3.140 10 0 CGAERN CC(C)c1ccccc1N1CCC2(CC1)OCCO2 ZINC000164459254 346182202 /nfs/dbraw/zinc/18/22/02/346182202.db2.gz UCFXKFXOVSFMGW-UHFFFAOYSA-N 0 0 261.365 3.153 10 0 CGAERN O[C@H]1c2cc(Cl)ncc2C=Cc2ncc(Cl)cc21 ZINC000165642730 346184614 /nfs/dbraw/zinc/18/46/14/346184614.db2.gz MMGWUWSFZSBIIS-ZDUSSCGKSA-N 0 0 279.126 3.349 10 0 CGAERN CCn1nc(C)c(-c2csc(Br)n2)c1C ZINC000165688910 346184922 /nfs/dbraw/zinc/18/49/22/346184922.db2.gz ZQNATSQOERSZJH-UHFFFAOYSA-N 0 0 286.198 3.406 10 0 CGAERN CCOC(=O)[C@H](C)c1ccccc1Br ZINC000165781969 346185634 /nfs/dbraw/zinc/18/56/34/346185634.db2.gz ANTYSCMQJYJCPI-MRVPVSSYSA-N 0 0 257.127 3.116 10 0 CGAERN CC(C)c1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O ZINC000167129334 346188033 /nfs/dbraw/zinc/18/80/33/346188033.db2.gz NHXISIKGVHDRPK-UHFFFAOYSA-N 0 0 286.352 3.187 10 0 CGAERN Cc1ccccc1-c1c2c(ccc1F)C[C@@H](CO)O2 ZINC000167043072 346188189 /nfs/dbraw/zinc/18/81/89/346188189.db2.gz HQNLNOMWSORCAX-LBPRGKRZSA-N 0 0 258.292 3.097 10 0 CGAERN O=c1[nH]cncc1C(c1ccccc1)c1ccccc1 ZINC000168211175 346190589 /nfs/dbraw/zinc/19/05/89/346190589.db2.gz YGBQBHTZHQKSIJ-UHFFFAOYSA-N 0 0 262.312 3.362 10 0 CGAERN O=C1CCNc2c(Cl)cc(Br)cc21 ZINC000169190042 346192126 /nfs/dbraw/zinc/19/21/26/346192126.db2.gz OVNTUHGNZVDLGT-UHFFFAOYSA-N 0 0 260.518 3.101 10 0 CGAERN C[C@](O)(c1ccoc1)c1sccc1Br ZINC000169271043 346192588 /nfs/dbraw/zinc/19/25/88/346192588.db2.gz JYRIGLIFAYQXNV-JTQLQIEISA-N 0 0 273.151 3.359 10 0 CGAERN CCCCNC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173476092 346235368 /nfs/dbraw/zinc/23/53/68/346235368.db2.gz JAZKOOTWCDGTPX-GFCCVEGCSA-N 0 0 281.425 3.141 10 0 CGAERN CCc1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)n[nH]1 ZINC000175715767 346248004 /nfs/dbraw/zinc/24/80/04/346248004.db2.gz MHIGHLIIZIATIW-CHWSQXEVSA-N 0 0 261.369 3.127 10 0 CGAERN COC(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CS2 ZINC000196389045 346275891 /nfs/dbraw/zinc/27/58/91/346275891.db2.gz BVALMAJAYSNVRS-UHFFFAOYSA-N 0 0 298.363 3.239 10 0 CGAERN CCOC(=O)c1ccc(Br)c(CC)c1 ZINC000197366770 346277183 /nfs/dbraw/zinc/27/71/83/346277183.db2.gz HTPOIEFIUZDIOE-UHFFFAOYSA-N 0 0 257.127 3.188 10 0 CGAERN C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(O)cc1Cl ZINC000226611603 346307151 /nfs/dbraw/zinc/30/71/51/346307151.db2.gz IYXQZCSQZFIJTC-PSASIEDQSA-N 0 0 253.729 3.420 10 0 CGAERN COc1cc(F)c(Br)c(Br)c1 ZINC000218959073 346293877 /nfs/dbraw/zinc/29/38/77/346293877.db2.gz PBQVZSHJIKONAP-UHFFFAOYSA-N 0 0 283.922 3.359 10 0 CGAERN COCc1ccccc1-c1ccc(OC)c(C=O)c1 ZINC000220196883 346295703 /nfs/dbraw/zinc/29/57/03/346295703.db2.gz HRHXOEPSGHYZKE-UHFFFAOYSA-N 0 0 256.301 3.321 10 0 CGAERN C[C@@](O)(c1cnc(Cl)c(Cl)c1)C(F)(F)F ZINC000220156985 346296087 /nfs/dbraw/zinc/29/60/87/346296087.db2.gz VHJKKUYIOWMIJO-SSDOTTSWSA-N 0 0 260.042 3.158 10 0 CGAERN COC(=O)Cc1cc(OC)cc(-c2ccc(OC)cc2)c1 ZINC000221974505 346298667 /nfs/dbraw/zinc/29/86/67/346298667.db2.gz QTFLBIMCVNOPDR-UHFFFAOYSA-N 0 0 286.327 3.086 10 0 CGAERN COC(=O)Cc1cccc(-c2ccc(O)cc2)c1C ZINC000225910638 346305757 /nfs/dbraw/zinc/30/57/57/346305757.db2.gz WGMUKFPWRXSNEY-UHFFFAOYSA-N 0 0 256.301 3.083 10 0 CGAERN Brc1cnc2ccn(CC3CCOCC3)c2c1 ZINC000225998312 346305850 /nfs/dbraw/zinc/30/58/50/346305850.db2.gz FZRHAUCOAFZYCC-UHFFFAOYSA-N 0 0 295.180 3.225 10 0 CGAERN CC(C)c1nc2cc([N+](=O)[O-])cc(Br)c2[nH]1 ZINC000215528936 346288858 /nfs/dbraw/zinc/28/88/58/346288858.db2.gz WXPCYNSRRFDJJO-UHFFFAOYSA-N 0 0 284.113 3.357 10 0 CGAERN CC1(C)C[C@H]1c1ncc(Br)c(Cl)n1 ZINC000232825182 346327592 /nfs/dbraw/zinc/32/75/92/346327592.db2.gz NVVAEUJKYPOOOR-YFKPBYRVSA-N 0 0 261.550 3.406 10 0 CGAERN COc1ccc(Cl)cc1C(=O)C(F)(F)C(F)F ZINC000234862181 346333160 /nfs/dbraw/zinc/33/31/60/346333160.db2.gz FVVAHDAQBSYVMZ-UHFFFAOYSA-N 0 0 270.609 3.432 10 0 CGAERN CSC(C)(C)CNc1nc(Cl)ncc1Cl ZINC000229131710 346316225 /nfs/dbraw/zinc/31/62/25/346316225.db2.gz PBYRUOZGRIRDMC-UHFFFAOYSA-N 0 0 266.197 3.337 10 0 CGAERN Clc1cnccc1-c1nc(Br)ns1 ZINC000230108691 346320018 /nfs/dbraw/zinc/32/00/18/346320018.db2.gz CJCWKKVPQGAYNE-UHFFFAOYSA-N 0 0 276.546 3.016 10 0 CGAERN Cc1ccc(-c2coc(I)n2)s1 ZINC000230400276 346320473 /nfs/dbraw/zinc/32/04/73/346320473.db2.gz CGRKBIMCKIFBGO-UHFFFAOYSA-N 0 0 291.113 3.316 10 0 CGAERN CCOCc1c(F)ccc(Br)c1F ZINC000230349846 346320569 /nfs/dbraw/zinc/32/05/69/346320569.db2.gz ACDNAIAKEWRELP-UHFFFAOYSA-N 0 0 251.070 3.264 10 0 CGAERN O=Cc1cc(Br)ccc1Sc1ncc[nH]1 ZINC000232467522 346326387 /nfs/dbraw/zinc/32/63/87/346326387.db2.gz DAWUUXSZURMJGF-UHFFFAOYSA-N 0 0 283.150 3.136 10 0 CGAERN O=C(c1ccoc1Br)[C@@H]1CCCS1 ZINC000232473744 346326474 /nfs/dbraw/zinc/32/64/74/346326474.db2.gz SZUZBCOGVLQWHZ-ZETCQYMHSA-N 0 0 261.140 3.120 10 0 CGAERN C[C@H](NC1COC1)c1cc(Cl)sc1Cl ZINC000235508206 346336194 /nfs/dbraw/zinc/33/61/94/346336194.db2.gz YPPGJPSHSFOEHZ-YFKPBYRVSA-N 0 0 252.166 3.104 10 0 CGAERN Clc1cc(Br)cnc1Sc1ncc[nH]1 ZINC000236056477 346339342 /nfs/dbraw/zinc/33/93/42/346339342.db2.gz CSTVTJXCGGSTIC-UHFFFAOYSA-N 0 0 290.573 3.372 10 0 CGAERN Nc1nccc2c(Cl)ccc(Br)c12 ZINC000236366463 346340338 /nfs/dbraw/zinc/34/03/38/346340338.db2.gz ZPSKTACCVFIDCU-UHFFFAOYSA-N 0 0 257.518 3.233 10 0 CGAERN O[C@@H]1CC[C@@H](c2cccc(Br)c2F)C1 ZINC000236538533 346340597 /nfs/dbraw/zinc/34/05/97/346340597.db2.gz CMFZLYXTGVTGDN-HTQZYQBOSA-N 0 0 259.118 3.217 10 0 CGAERN Nc1scnc1-c1ccc(F)cc1Br ZINC000236374270 346340676 /nfs/dbraw/zinc/34/06/76/346340676.db2.gz GFSGONGKXFAEQS-UHFFFAOYSA-N 0 0 273.130 3.294 10 0 CGAERN OC[C@@H]1C[C@@H]1c1ccc(Br)c(Cl)c1 ZINC000236495181 346340823 /nfs/dbraw/zinc/34/08/23/346340823.db2.gz FNXNGRSWNUKACV-JGVFFNPUSA-N 0 0 261.546 3.198 10 0 CGAERN CC(=NNC(=O)COc1ccc(Cl)cc1)C(C)(C)C ZINC000257352513 346400296 /nfs/dbraw/zinc/40/02/96/346400296.db2.gz LSMBCUYBXLQNSL-UHFFFAOYSA-N 0 0 282.771 3.257 10 0 CGAERN Cc1cc2c(ncnc2Cl)n1Cc1ccccc1 ZINC000098180837 185699358 /nfs/dbraw/zinc/69/93/58/185699358.db2.gz LEJOMPFGDIQXQU-UHFFFAOYSA-N 0 0 257.724 3.441 10 0 CGAERN C[C@H]1CCN1c1cccc(F)c1I ZINC000300918007 346438245 /nfs/dbraw/zinc/43/82/45/346438245.db2.gz GIIINEMOHIEQON-ZETCQYMHSA-N 0 0 291.107 3.029 10 0 CGAERN CC[C@@](C)(O)C(=O)c1c(Cl)cccc1Br ZINC000306327522 346453271 /nfs/dbraw/zinc/45/32/71/346453271.db2.gz XVOZUDYVUKLMLB-LLVKDONJSA-N 0 0 291.572 3.446 10 0 CGAERN FC(F)(F)c1c(Br)[nH]ccc1=S ZINC000306365967 346453327 /nfs/dbraw/zinc/45/33/27/346453327.db2.gz JNSHSAGSDDSNHY-UHFFFAOYSA-N 0 0 258.062 3.152 10 0 CGAERN CCOC(=O)c1c(C)ccc(Br)c1F ZINC000306824484 346457947 /nfs/dbraw/zinc/45/79/47/346457947.db2.gz UKLFHCIHBMCEGB-UHFFFAOYSA-N 0 0 261.090 3.073 10 0 CGAERN Nc1cc(F)cc(-c2occc2Br)c1 ZINC000306856599 346458612 /nfs/dbraw/zinc/45/86/12/346458612.db2.gz XGLRDJLTJJFOQU-UHFFFAOYSA-N 0 0 256.074 3.430 10 0 CGAERN Cc1oc(Br)cc1-c1nnc(Cl)o1 ZINC000307127577 346459867 /nfs/dbraw/zinc/45/98/67/346459867.db2.gz WBKGRXCWVPQIPA-UHFFFAOYSA-N 0 0 263.478 3.054 10 0 CGAERN Cc1c(Br)ccc(N)c1OC(F)(F)F ZINC000307404571 346462230 /nfs/dbraw/zinc/46/22/30/346462230.db2.gz LATUNZDRTPOJBN-UHFFFAOYSA-N 0 0 270.048 3.238 10 0 CGAERN Cc1ccc(C(=O)C(F)(F)Br)c(C)c1 ZINC000307539954 346463753 /nfs/dbraw/zinc/46/37/53/346463753.db2.gz ZUNHXGHDJSOWPL-UHFFFAOYSA-N 0 0 263.081 3.474 10 0 CGAERN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCC[C@H]2C(=O)[O-] ZINC000307540212 346463785 /nfs/dbraw/zinc/46/37/85/346463785.db2.gz VSBIDMFOATWJGI-QRTARXTBSA-N 0 0 273.376 3.009 10 0 CGAERN Cc1ccc(I)nc1C(F)(F)F ZINC000307624013 346464289 /nfs/dbraw/zinc/46/42/89/346464289.db2.gz MNYMJYLNOPOYLO-UHFFFAOYSA-N 0 0 287.022 3.013 10 0 CGAERN O=S(=O)(Cl)c1ccc(Cl)c(OC(F)(F)F)c1 ZINC000309332545 346468960 /nfs/dbraw/zinc/46/89/60/346468960.db2.gz XJMQPMYMTVRDJG-UHFFFAOYSA-N 0 0 295.065 3.166 10 0 CGAERN COc1ccc(Cl)c(C(=O)CC(F)(F)F)c1 ZINC000309531944 346469536 /nfs/dbraw/zinc/46/95/36/346469536.db2.gz DCUWRFQRBXNINW-UHFFFAOYSA-N 0 0 252.619 3.484 10 0 CGAERN COc1cc(F)cc(C(=O)COCc2ccccc2)c1 ZINC000382708478 346561104 /nfs/dbraw/zinc/56/11/04/346561104.db2.gz VRITZEQYLDQORU-UHFFFAOYSA-N 0 0 274.291 3.234 10 0 CGAERN FC(F)Oc1cc(Br)nc(C(F)(F)F)c1 ZINC000396062450 346579295 /nfs/dbraw/zinc/57/92/95/346579295.db2.gz VXYOAOSUHZVFOH-UHFFFAOYSA-N 0 0 292.001 3.464 10 0 CGAERN FC(F)Oc1cnc(Br)cc1C(F)(F)F ZINC000396060977 346579400 /nfs/dbraw/zinc/57/94/00/346579400.db2.gz SPVPMRNJVLHNRF-UHFFFAOYSA-N 0 0 292.001 3.464 10 0 CGAERN O=[N+]([O-])c1c(F)c(F)ccc1SC(F)(F)F ZINC000396118518 346579878 /nfs/dbraw/zinc/57/98/78/346579878.db2.gz NKWKSGHWJCIMAN-UHFFFAOYSA-N 0 0 259.155 3.485 10 0 CGAERN C[C@@H](Nc1ccncc1C#N)c1ccccc1Cl ZINC000399372289 346587403 /nfs/dbraw/zinc/58/74/03/346587403.db2.gz KYHDYWXFOYWCPN-SNVBAGLBSA-N 0 0 257.724 3.202 10 0 CGAERN Cc1nc(C2CSC2)nc(Cl)c1Br ZINC000405128129 346602187 /nfs/dbraw/zinc/60/21/87/346602187.db2.gz FKGQKYDZSTYANT-UHFFFAOYSA-N 0 0 279.590 3.031 10 0 CGAERN CSc1nc(CCC2CCCCC2)cc(=O)[nH]1 ZINC000409429253 346605284 /nfs/dbraw/zinc/60/52/84/346605284.db2.gz IVIPLTZSBPGFAW-UHFFFAOYSA-N 0 0 252.383 3.417 10 0 CGAERN Clc1cc(-c2ccc(Br)o2)ncn1 ZINC000409430146 346605418 /nfs/dbraw/zinc/60/54/18/346605418.db2.gz LNUWTHNHISHZNV-UHFFFAOYSA-N 0 0 259.490 3.153 10 0 CGAERN C[C@H](Oc1ccccc1)c1cc(Br)ncn1 ZINC000409432619 346605815 /nfs/dbraw/zinc/60/58/15/346605815.db2.gz WUXVOWXQWKRZQP-VIFPVBQESA-N 0 0 279.137 3.379 10 0 CGAERN CC(C)n1c(=O)[nH]c(=S)cc1-c1ccc(Cl)s1 ZINC000409437037 346606209 /nfs/dbraw/zinc/60/62/09/346606209.db2.gz BTOGSRQCNSMMOO-UHFFFAOYSA-N 0 0 286.809 3.495 10 0 CGAERN Clc1cc(N2CCO[C@@H]3CCCC[C@@H]32)nc(C2CC2)n1 ZINC000162899397 136552877 /nfs/dbraw/zinc/55/28/77/136552877.db2.gz LOPMXXQFQAJJNV-NWDGAFQWSA-N 0 0 293.798 3.155 10 0 CGAERN Cc1ccc(F)cc1N1CCC[C@H](C(=O)C(C)C)C1=O ZINC000536951080 346650472 /nfs/dbraw/zinc/65/04/72/346650472.db2.gz OIWWBWAIQFPCMB-CYBMUJFWSA-N 0 0 277.339 3.102 10 0 CGAERN Nc1ccc(Cl)c(OC(F)F)c1OC(F)(F)F ZINC000514264388 346636490 /nfs/dbraw/zinc/63/64/90/346636490.db2.gz IHCOEGBNQWSWFK-UHFFFAOYSA-N 0 0 277.576 3.422 10 0 CGAERN O=Cc1cc(C(F)(F)F)c(CO)cc1C(F)(F)F ZINC000514278745 346637918 /nfs/dbraw/zinc/63/79/18/346637918.db2.gz MUIAVOINJICJSU-UHFFFAOYSA-N 0 0 272.144 3.029 10 0 CGAERN Nc1ccccc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000019264275 136576497 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/nfs/dbraw/zinc/37/87/02/187378702.db2.gz LTYFKXROUASSLW-DZGCQCFKSA-N 0 0 291.391 3.322 10 0 CGAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@H](C)COC)o1 ZINC000128586005 187379126 /nfs/dbraw/zinc/37/91/26/187379126.db2.gz YBQGVPLYXJSQBL-TZMCWYRMSA-N 0 0 279.380 3.178 10 0 CGAERN C[C@@H]1CCO[C@@H]1c1nc(CCCc2ccccc2)no1 ZINC000128742923 187388116 /nfs/dbraw/zinc/38/81/16/187388116.db2.gz YTVJJXDGHOMBPO-DOMZBBRYSA-N 0 0 272.348 3.342 10 0 CGAERN CCOc1cc(N2CC[C@H](C)C[C@@H]2C)c(N)cc1F ZINC000104125152 185899977 /nfs/dbraw/zinc/89/99/77/185899977.db2.gz BJXJNSGPDZNJNY-QWRGUYRKSA-N 0 0 266.360 3.431 10 0 CGAERN Cc1ccc(Nc2nc(C)ccc2C(N)=S)c(C)c1 ZINC000104171493 185916251 /nfs/dbraw/zinc/91/62/51/185916251.db2.gz AEGLDDLDHCWWNQ-UHFFFAOYSA-N 0 0 271.389 3.385 10 0 CGAERN COc1ccc([C@@H]2CN(C(C)=O)c3ccccc3N2)cc1 ZINC000616582534 348835997 /nfs/dbraw/zinc/83/59/97/348835997.db2.gz ABNIGWQHYFKCRE-INIZCTEOSA-N 0 0 282.343 3.215 10 0 CGAERN COc1ccccc1[C@@H]1CN(C(C)=O)c2ccccc2N1 ZINC000616584356 348836174 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CGAERN Cc1c(I)cc(CO)cc1C(F)F ZINC000575670736 377947106 /nfs/dbraw/zinc/94/71/06/377947106.db2.gz LXMAFYRTLAVSDC-UHFFFAOYSA-N 0 0 298.070 3.030 10 0 CGAERN Cc1c(C=O)cc(I)cc1C(F)F ZINC000575671900 377948480 /nfs/dbraw/zinc/94/84/80/377948480.db2.gz WHJZQVODAQJCFI-UHFFFAOYSA-N 0 0 296.054 3.350 10 0 CGAERN CCOC(=O)c1cc(C)c(C(F)(F)F)cc1OC ZINC000575675704 377950781 /nfs/dbraw/zinc/95/07/81/377950781.db2.gz XDIRESRBXYSDQO-UHFFFAOYSA-N 0 0 262.227 3.199 10 0 CGAERN Oc1c(OC(F)F)cc(Cl)cc1OC(F)F ZINC000575677651 377952005 /nfs/dbraw/zinc/95/20/05/377952005.db2.gz USDYFUPNDWOZNL-UHFFFAOYSA-N 0 0 260.570 3.248 10 0 CGAERN Oc1c(Br)cc(Cl)cc1OC(F)F ZINC000575676663 377952074 /nfs/dbraw/zinc/95/20/74/377952074.db2.gz POTHQJKZZZWELK-UHFFFAOYSA-N 0 0 273.460 3.410 10 0 CGAERN CC(=O)c1c(Br)c(F)ccc1OC(F)F ZINC000575680008 377954036 /nfs/dbraw/zinc/95/40/36/377954036.db2.gz GUOUIMQRZOVXKZ-UHFFFAOYSA-N 0 0 283.043 3.392 10 0 CGAERN CCOC(=O)c1nccc(C(F)(F)F)c1C(F)(F)F ZINC000575397607 377904658 /nfs/dbraw/zinc/90/46/58/377904658.db2.gz RXODAQXMTYVDED-UHFFFAOYSA-N 0 0 287.159 3.296 10 0 CGAERN CCOC(=O)C(CCc1ccccc1Cl)C(=O)OCC ZINC000575449154 377913627 /nfs/dbraw/zinc/91/36/27/377913627.db2.gz MLUOCUUEDZPAHU-UHFFFAOYSA-N 0 0 298.766 3.015 10 0 CGAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000265664214 378007170 /nfs/dbraw/zinc/00/71/70/378007170.db2.gz PVRZTJPISNTYRK-TYNCELHUSA-N 0 0 299.374 3.463 10 0 CGAERN Cc1c(O)cc(OC(F)F)cc1Br ZINC000575683921 377958244 /nfs/dbraw/zinc/95/82/44/377958244.db2.gz UGTUYMLHXYONDH-UHFFFAOYSA-N 0 0 253.042 3.065 10 0 CGAERN O=Cc1cc(Br)c(C(F)(F)F)cc1F ZINC000575687622 377961857 /nfs/dbraw/zinc/96/18/57/377961857.db2.gz LBCRDMGNJNOKRU-UHFFFAOYSA-N 0 0 271.007 3.420 10 0 CGAERN O=Cc1cc(F)c(Br)c(C(F)(F)F)c1 ZINC000575688618 377963430 /nfs/dbraw/zinc/96/34/30/377963430.db2.gz VOXNUUOSPGPLEH-UHFFFAOYSA-N 0 0 271.007 3.420 10 0 CGAERN COc1cc(Br)c(SC)cc1F ZINC000575689185 377964144 /nfs/dbraw/zinc/96/41/44/377964144.db2.gz SSXSIRQFFCBUHJ-UHFFFAOYSA-N 0 0 251.120 3.319 10 0 CGAERN COc1cc(F)cc(Br)c1SC ZINC000575688977 377964517 /nfs/dbraw/zinc/96/45/17/377964517.db2.gz CCLKPCWUMNVSPV-UHFFFAOYSA-N 0 0 251.120 3.319 10 0 CGAERN COc1c(Br)c(O)ccc1C(F)(F)F ZINC000575691242 377967203 /nfs/dbraw/zinc/96/72/03/377967203.db2.gz JSIAETLFDIFPHG-UHFFFAOYSA-N 0 0 271.032 3.182 10 0 CGAERN CCOc1cc(CC)c(F)cc1I ZINC000575697079 377970407 /nfs/dbraw/zinc/97/04/07/377970407.db2.gz UPBAHPNEFKDIEO-UHFFFAOYSA-N 0 0 294.107 3.391 10 0 CGAERN CCOC(=O)Cc1cc(Br)cc(CC)c1F ZINC000575700067 377972344 /nfs/dbraw/zinc/97/23/44/377972344.db2.gz PPJZSMQHBPWYLJ-UHFFFAOYSA-N 0 0 289.144 3.256 10 0 CGAERN CCOC(=O)c1c(Cl)cc(C)cc1OC(F)F ZINC000575699500 377972511 /nfs/dbraw/zinc/97/25/11/377972511.db2.gz FFQVMMCVTHWGCZ-UHFFFAOYSA-N 0 0 264.655 3.427 10 0 CGAERN CCOC(=O)Cc1cc(C)cc(SC)c1Cl ZINC000575700718 377973427 /nfs/dbraw/zinc/97/34/27/377973427.db2.gz FIHLVCQWMGHJRN-UHFFFAOYSA-N 0 0 258.770 3.476 10 0 CGAERN CCOC(=O)Cc1cc(F)c(CC)cc1Br ZINC000575700861 377973438 /nfs/dbraw/zinc/97/34/38/377973438.db2.gz WSZCDXOVBLVXRL-UHFFFAOYSA-N 0 0 289.144 3.256 10 0 CGAERN CCOC(=O)c1c(C)cc(OCC)cc1Br ZINC000575700908 377973602 /nfs/dbraw/zinc/97/36/02/377973602.db2.gz XZNABQYHWQCTPY-UHFFFAOYSA-N 0 0 287.153 3.333 10 0 CGAERN CCOC(=O)c1cc(CC)cc(Cl)c1OCC ZINC000575700431 377973804 /nfs/dbraw/zinc/97/38/04/377973804.db2.gz MKGLKRUBHALHCR-UHFFFAOYSA-N 0 0 256.729 3.478 10 0 CGAERN CCOC(=O)Cc1cc(Cl)c(C)cc1OC(F)F ZINC000575701257 377974571 /nfs/dbraw/zinc/97/45/71/377974571.db2.gz YEMOIMZDEVBOIW-UHFFFAOYSA-N 0 0 278.682 3.355 10 0 CGAERN CCOC(=O)Cc1cc(Cl)c(SC)cc1C ZINC000575701151 377974678 /nfs/dbraw/zinc/97/46/78/377974678.db2.gz JMZQWVQBNJKLHX-UHFFFAOYSA-N 0 0 258.770 3.476 10 0 CGAERN CCOC(=O)c1cc(C)cc(OC(F)(F)F)c1F ZINC000575702227 377976002 /nfs/dbraw/zinc/97/60/02/377976002.db2.gz HFCAMNJUZSIDCI-UHFFFAOYSA-N 0 0 266.190 3.209 10 0 CGAERN COc1cc(OC(F)(F)F)c(F)cc1SC ZINC000575708231 377979085 /nfs/dbraw/zinc/97/90/85/377979085.db2.gz MPKBGTZVHWWUBZ-UHFFFAOYSA-N 0 0 256.220 3.455 10 0 CGAERN CSc1cc(OC(F)(F)F)c(F)cc1C=O ZINC000575710183 377980094 /nfs/dbraw/zinc/98/00/94/377980094.db2.gz QRACJBYSWBFZGA-UHFFFAOYSA-N 0 0 254.204 3.259 10 0 CGAERN COC(=O)c1cc(Br)c(C)cc1OC(F)F ZINC000575711102 377980343 /nfs/dbraw/zinc/98/03/43/377980343.db2.gz ODIGXFCWVSWBNN-UHFFFAOYSA-N 0 0 295.079 3.146 10 0 CGAERN CC(=O)c1c(N)cc(C(F)(F)F)cc1OC(F)F ZINC000575717253 377982266 /nfs/dbraw/zinc/98/22/66/377982266.db2.gz LMGBVXOPWIGQPO-UHFFFAOYSA-N 0 0 269.169 3.092 10 0 CGAERN CCOc1cc(Cl)c(Br)cc1N ZINC000575719485 377982313 /nfs/dbraw/zinc/98/23/13/377982313.db2.gz DIYIETVRRQFIJM-UHFFFAOYSA-N 0 0 250.523 3.083 10 0 CGAERN CC(=O)c1cc(N)c(C(F)(F)F)cc1OC(F)F ZINC000575718155 377982791 /nfs/dbraw/zinc/98/27/91/377982791.db2.gz YOULEXCFZCFCRM-UHFFFAOYSA-N 0 0 269.169 3.092 10 0 CGAERN Nc1c(Br)ccc(Cl)c1OC(F)F ZINC000575720137 377983318 /nfs/dbraw/zinc/98/33/18/377983318.db2.gz RJSPDKYVRYXSNS-UHFFFAOYSA-N 0 0 272.476 3.286 10 0 CGAERN CCOC(=O)c1cc(N)c(OC(F)F)cc1C(F)(F)F ZINC000575723926 377983800 /nfs/dbraw/zinc/98/38/00/377983800.db2.gz JRGMPFPFWLZKDX-UHFFFAOYSA-N 0 0 299.195 3.066 10 0 CGAERN COc1cc(CO)c(OC(F)(F)F)c(C(F)(F)F)c1 ZINC000575730708 377984606 /nfs/dbraw/zinc/98/46/06/377984606.db2.gz QBGLFYGEAWRVAE-UHFFFAOYSA-N 0 0 290.159 3.105 10 0 CGAERN COc1c(N)c(C(F)(F)F)ccc1OC(F)(F)F ZINC000575729305 377984655 /nfs/dbraw/zinc/98/46/55/377984655.db2.gz DIJATUGNVZHDHU-UHFFFAOYSA-N 0 0 275.148 3.195 10 0 CGAERN O=C(c1ccoc1Br)N1C[C@@H]2CCCCC[C@@H]21 ZINC000373107824 379224289 /nfs/dbraw/zinc/22/42/89/379224289.db2.gz XBMQLKUJANFZPA-ONGXEEELSA-N 0 0 298.180 3.447 10 0 CGAERN C[C@@H]1CC=C(N2CCOCC2)/C(=C/c2ccc(O)cc2)C1 ZINC000103647013 296296239 /nfs/dbraw/zinc/29/62/39/296296239.db2.gz QIZCZTWMQONAMT-LBFFYKKLSA-N 0 0 285.387 3.422 10 0 CGAERN C[C@@H](NC(=O)NC1C2CC3CC(C2)CC1C3)c1ccccn1 ZINC000193146345 542271212 /nfs/dbraw/zinc/27/12/12/542271212.db2.gz MZZGUFMKBIVUGA-VQGSXZNQSA-N 0 0 299.418 3.267 10 0 CGAERN ClC1=CCCN(c2nc(Br)cs2)C1 ZINC000404159233 379978622 /nfs/dbraw/zinc/97/86/22/379978622.db2.gz ATPSVVIKDSMOLW-UHFFFAOYSA-N 0 0 279.590 3.238 10 0 CGAERN CC[C@@H](NC(=O)N[C@@H]1CCCC12CCOCC2)C(C)C ZINC000407959003 379988232 /nfs/dbraw/zinc/98/82/32/379988232.db2.gz ULNDXXHEOQQVKJ-ZIAGYGMSSA-N 0 0 282.428 3.070 10 0 CGAERN Cc1nnc(NC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)n1C1CC1 ZINC000408087144 379993292 /nfs/dbraw/zinc/99/32/92/379993292.db2.gz CCEZXLDAVATOME-PWSUYJOCSA-N 0 0 290.411 3.322 10 0 CGAERN CC(C)(C)CCNC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408130422 379994882 /nfs/dbraw/zinc/99/48/82/379994882.db2.gz UVCHVSIXMOKUIV-KFWWJZLASA-N 0 0 296.455 3.148 10 0 CGAERN CC(C)(C)c1nnc(SC[C@@H]2CCCC[C@@H]2O)o1 ZINC000408463547 380013903 /nfs/dbraw/zinc/01/39/03/380013903.db2.gz CCMXQHCMNNZXFH-UWVGGRQHSA-N 0 0 270.398 3.010 10 0 CGAERN O=C(c1sccc1Cl)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334550392 296311162 /nfs/dbraw/zinc/31/11/62/296311162.db2.gz IJXGSUYEABHWAP-MWLCHTKSSA-N 0 0 297.807 3.043 10 0 CGAERN Cc1cnc([C@H](C)NC[C@@H]2CCC3(CCCC3)O2)o1 ZINC000231741779 542304732 /nfs/dbraw/zinc/30/47/32/542304732.db2.gz JXPSZWMZTSPJRR-STQMWFEESA-N 0 0 264.369 3.125 10 0 CGAERN Cc1cnc([C@H](C)Nc2nc3ccccc3n2C)o1 ZINC000235534022 542312858 /nfs/dbraw/zinc/31/28/58/542312858.db2.gz BPDPWXRQNOXHHN-JTQLQIEISA-N 0 0 256.309 3.043 10 0 CGAERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000245679087 542322851 /nfs/dbraw/zinc/32/28/51/542322851.db2.gz JTOVQDZIAPWLLU-JLUCKKNBSA-N 0 0 258.365 3.018 10 0 CGAERN C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1cc(F)ccc1F ZINC000251348981 542346290 /nfs/dbraw/zinc/34/62/90/542346290.db2.gz FYTODSAULPOFPW-CHWFTXMASA-N 0 0 265.303 3.188 10 0 CGAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC(c2ccc(O)cc2)CC1 ZINC000250260199 542342602 /nfs/dbraw/zinc/34/26/02/542342602.db2.gz TYWJYYPTKFQWAU-MUJYYYPQSA-N 0 0 285.387 3.144 10 0 CGAERN CCC1CCC([N@H+](C)Cc2ncccc2C(=O)[O-])CC1 ZINC000312230828 542432167 /nfs/dbraw/zinc/43/21/67/542432167.db2.gz FNFZRNMKEPFWBP-UHFFFAOYSA-N 0 0 276.380 3.180 10 0 CGAERN CC(C)(C)[C@H](O)CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000324306159 542441644 /nfs/dbraw/zinc/44/16/44/542441644.db2.gz XOVRKVPSDCGTNP-LXTVHRRPSA-N 0 0 281.440 3.116 10 0 CGAERN OCc1nccc2nc(Cl)c(-c3ccccc3)cc21 ZINC000107262919 285299831 /nfs/dbraw/zinc/29/98/31/285299831.db2.gz ZQQGCUJXYMCLIW-UHFFFAOYSA-N 0 0 270.719 3.443 10 0 CGAERN Cc1nc([C@@H](C)Nc2ncncc2Cl)cs1 ZINC000336775848 542479176 /nfs/dbraw/zinc/47/91/76/542479176.db2.gz CVSJJGINBDNZTP-ZCFIWIBFSA-N 0 0 254.746 3.068 10 0 CGAERN COc1ccccc1Cc1cccc(Br)n1 ZINC000095081092 184937521 /nfs/dbraw/zinc/93/75/21/184937521.db2.gz UCAWNBWHQJTCIZ-UHFFFAOYSA-N 0 0 278.149 3.444 10 0 CGAERN c1cn2c(n1)c(NCc1ccccc1)nc1ccccc12 ZINC000001499725 169709968 /nfs/dbraw/zinc/70/99/68/169709968.db2.gz PCKUMDJKBIBFBY-UHFFFAOYSA-N 0 0 274.327 3.495 10 0 CGAERN CSc1ccnc(N[C@H](C)c2cccs2)n1 ZINC000386638956 542604600 /nfs/dbraw/zinc/60/46/00/542604600.db2.gz OBPREMDPFDTQLA-MRVPVSSYSA-N 0 0 251.380 3.433 10 0 CGAERN CSc1ccnc(N[C@H]2CCOc3ccccc32)n1 ZINC000386613035 542604659 /nfs/dbraw/zinc/60/46/59/542604659.db2.gz CDGCGHBVKNGQOL-NSHDSACASA-N 0 0 273.361 3.134 10 0 CGAERN Cc1cc(C(=O)[C@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000405571175 542626259 /nfs/dbraw/zinc/62/62/59/542626259.db2.gz FAPQRBSRWYAPQI-VIFPVBQESA-N 0 0 269.366 3.152 10 0 CGAERN CCCCCC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406120454 542628149 /nfs/dbraw/zinc/62/81/49/542628149.db2.gz SVSKSKGLIINTTA-ZDUSSCGKSA-N 0 0 277.364 3.451 10 0 CGAERN CCOc1ccc(NC(=S)N[C@H]2C[C@@H]3C=C[C@H]2C3)cc1 ZINC000004307281 391921089 /nfs/dbraw/zinc/92/10/89/391921089.db2.gz DHJQJLYTNQBDQZ-XUJVJEKNSA-N 0 0 288.416 3.336 10 0 CGAERN Cc1c2c(Br)n[nH]c2ccc1Br ZINC000043220603 391987248 /nfs/dbraw/zinc/98/72/48/391987248.db2.gz GSXPJBVFAHIBII-UHFFFAOYSA-N 0 0 289.958 3.396 10 0 CGAERN C[C@H](NC(=O)c1cc2cc(F)ccc2s1)[C@H]1CCCO1 ZINC000027879131 391954524 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392488473 /nfs/dbraw/zinc/48/84/73/392488473.db2.gz VKWDCZCYVRQNFA-ZBEGNZNMSA-N 0 0 283.327 3.204 10 0 CGAERN Cc1cc(C)nc(N2CC=C(c3cccs3)CC2)n1 ZINC000301281631 392586953 /nfs/dbraw/zinc/58/69/53/392586953.db2.gz KRJBQFOVNJZBHD-UHFFFAOYSA-N 0 0 271.389 3.449 10 0 CGAERN C[C@H]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)c2ccccc21 ZINC000162630221 392598103 /nfs/dbraw/zinc/59/81/03/392598103.db2.gz ZTMNNPROLIHPQU-XHDPSFHLSA-N 0 0 282.343 3.156 10 0 CGAERN Cc1cc(CC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)no1 ZINC000178806660 392686085 /nfs/dbraw/zinc/68/60/85/392686085.db2.gz JXMJAFAGTCTLBJ-BDJLRTHQSA-N 0 0 284.359 3.280 10 0 CGAERN CC[C@@H](C)[C@H](C)Nc1nc(C)ncc1Br ZINC000306494250 392639265 /nfs/dbraw/zinc/63/92/65/392639265.db2.gz SYYRUIKOGLFVSQ-SFYZADRCSA-N 0 0 272.190 3.394 10 0 CGAERN CC(F)(F)C(=O)c1sccc1Br ZINC000307161490 392647774 /nfs/dbraw/zinc/64/77/74/392647774.db2.gz KQGULRUZBFUMCP-UHFFFAOYSA-N 0 0 255.083 3.349 10 0 CGAERN Cc1nc(I)ccc1C(F)(F)F ZINC000307641735 392653890 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CGAERN CCOC(=O)C[C@@](C)(O)c1ccc2ccccc2c1 ZINC000038920184 174159576 /nfs/dbraw/zinc/15/95/76/174159576.db2.gz QMSQVYHBPDRMSZ-MRXNPFEDSA-N 0 0 258.317 3.001 10 0 CGAERN CC(C)(C)OC(=O)c1cc(Br)cs1 ZINC000039081641 174163274 /nfs/dbraw/zinc/16/32/74/174163274.db2.gz JSVLFCAWAIQQHQ-UHFFFAOYSA-N 0 0 263.156 3.466 10 0 CGAERN COc1ccccc1-c1cc(Cl)n2nccc2n1 ZINC000039955958 174179076 /nfs/dbraw/zinc/17/90/76/174179076.db2.gz RRZHCWWXFYNPJN-UHFFFAOYSA-N 0 0 259.696 3.058 10 0 CGAERN C=CC(=O)NCCCc1nc2ccccc2n1CCCC ZINC000040210007 174203773 /nfs/dbraw/zinc/20/37/73/174203773.db2.gz YISCROWXEGZROX-UHFFFAOYSA-N 0 0 285.391 3.071 10 0 CGAERN CCN(CC)C(=O)Cn1c2ccccc2nc1C(C)(C)C ZINC000040239300 174212128 /nfs/dbraw/zinc/21/21/28/174212128.db2.gz WHUBOOWXWKBPOK-UHFFFAOYSA-N 0 0 287.407 3.202 10 0 CGAERN O[C@H](c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000040260249 174216598 /nfs/dbraw/zinc/21/65/98/174216598.db2.gz IBTIDFZZNSFRHY-GFCCVEGCSA-N 0 0 254.116 3.470 10 0 CGAERN COc1ccccc1NC(=O)c1ccc2[nH]c(C)nc2c1 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/nfs/dbraw/zinc/53/57/12/171535712.db2.gz BLPIWQLIGUOXSC-SKDRFNHKSA-N 0 0 293.363 3.338 10 0 CGAERN Cc1ccc(NC(=O)COc2cccc(N)c2)cc1Cl ZINC000031896081 171656039 /nfs/dbraw/zinc/65/60/39/171656039.db2.gz GBFKZUZRTCYPAY-UHFFFAOYSA-N 0 0 290.750 3.248 10 0 CGAERN COc1ccc(CCNC(=O)/C=C\c2ccc(C)cc2)cc1 ZINC000033315372 171782485 /nfs/dbraw/zinc/78/24/85/171782485.db2.gz CMYAEVIKLUZFCG-XFXZXTDPSA-N 0 0 295.382 3.376 10 0 CGAERN COC(=O)CCS[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000034980356 171912538 /nfs/dbraw/zinc/91/25/38/171912538.db2.gz SIMUBYDDTXHNRM-LBPRGKRZSA-N 0 0 280.389 3.171 10 0 CGAERN Cc1cc(C(C)(C)C)cc(C)c1CSC[C@@H]([NH3+])C(=O)[O-] ZINC000035083333 171969581 /nfs/dbraw/zinc/96/95/81/171969581.db2.gz LVKCWKKPOKUNGU-CQSZACIVSA-N 0 0 295.448 3.246 10 0 CGAERN CCN(CC)C(=O)c1cc(NCCC(C)C)ccn1 ZINC000035121256 171990989 /nfs/dbraw/zinc/99/09/89/171990989.db2.gz XLYWQNVXURNWID-UHFFFAOYSA-N 0 0 263.385 3.022 10 0 CGAERN Cc1n[nH]c(C)c1NC(=O)/C=C/c1ccc(C)cc1C ZINC000035149507 172011301 /nfs/dbraw/zinc/01/13/01/172011301.db2.gz MOEKMEXWCGEAJL-BQYQJAHWSA-N 0 0 269.348 3.295 10 0 CGAERN C[C@H](Nc1ccnc(C(=O)N(C)C)c1)c1cccs1 ZINC000035149446 172011696 /nfs/dbraw/zinc/01/16/96/172011696.db2.gz HQOWOACRPNAFNN-JTQLQIEISA-N 0 0 275.377 3.018 10 0 CGAERN CCOc1ccc(OCc2nnsc2Cl)cc1 ZINC000035163610 172024448 /nfs/dbraw/zinc/02/44/48/172024448.db2.gz DFUWLDGTGAWJIU-UHFFFAOYSA-N 0 0 270.741 3.169 10 0 CGAERN Cc1cc(C)cc(OCc2nnsc2Cl)c1 ZINC000035163584 172024451 /nfs/dbraw/zinc/02/44/51/172024451.db2.gz BMNDFZNWIUAMEK-UHFFFAOYSA-N 0 0 254.742 3.387 10 0 CGAERN CCc1ccc(C(=O)Nc2ccsc2C(=O)OC)s1 ZINC000035163761 172025578 /nfs/dbraw/zinc/02/55/78/172025578.db2.gz GTHXJSGTSIIGNK-UHFFFAOYSA-N 0 0 295.385 3.411 10 0 CGAERN CCn1c(C)cc(C(=O)COc2ccc(OC)cc2)c1C ZINC000035184148 172037905 /nfs/dbraw/zinc/03/79/05/172037905.db2.gz ZZPIUQLYYNHGBZ-UHFFFAOYSA-N 0 0 287.359 3.395 10 0 CGAERN C[C@H](O)c1cccc(NC(=O)c2cc(F)cc(F)c2)c1 ZINC000035188808 172043522 /nfs/dbraw/zinc/04/35/22/172043522.db2.gz BVNDQPCRCZVHAZ-VIFPVBQESA-N 0 0 277.270 3.270 10 0 CGAERN CC(C)[C@H](C)NC(=O)c1csc(Br)c1 ZINC000035222285 172065132 /nfs/dbraw/zinc/06/51/32/172065132.db2.gz MEWKZUAAAIZMNZ-ZETCQYMHSA-N 0 0 276.199 3.285 10 0 CGAERN Nc1cccc(Cl)c1SCc1cnccn1 ZINC000035286903 172104911 /nfs/dbraw/zinc/10/49/11/172104911.db2.gz PWMCORJFPOFZNE-UHFFFAOYSA-N 0 0 251.742 3.005 10 0 CGAERN CCC[C@@H](N[C@H](C(=O)OC)C(C)C)c1ccccc1 ZINC000035346275 172139001 /nfs/dbraw/zinc/13/90/01/172139001.db2.gz CUFHRCBOMZONET-CABCVRRESA-N 0 0 263.381 3.315 10 0 CGAERN CC(C)(C)CC(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035359238 172149514 /nfs/dbraw/zinc/14/95/14/172149514.db2.gz BXMYBHVYPNFNPA-UHFFFAOYSA-N 0 0 265.740 3.454 10 0 CGAERN CCC(CC)C(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035359270 172150247 /nfs/dbraw/zinc/15/02/47/172150247.db2.gz FGOMPCWMGUSWFC-UHFFFAOYSA-N 0 0 265.740 3.454 10 0 CGAERN COc1ccc(C(=O)c2occc2C)cc1Cl ZINC000035369330 172160934 /nfs/dbraw/zinc/16/09/34/172160934.db2.gz HRRZBFXPJSIEQI-UHFFFAOYSA-N 0 0 250.681 3.481 10 0 CGAERN COc1cc(Cl)c(C(=O)c2ccco2)cc1OC ZINC000035369601 172161533 /nfs/dbraw/zinc/16/15/33/172161533.db2.gz SGJRCVTVMPTXJS-UHFFFAOYSA-N 0 0 266.680 3.181 10 0 CGAERN CCOc1ccc(Br)cc1[C@@H](N)c1ccco1 ZINC000035382607 172165286 /nfs/dbraw/zinc/16/52/86/172165286.db2.gz ABVDGUROKDYPSK-CYBMUJFWSA-N 0 0 296.164 3.489 10 0 CGAERN Oc1ccc(Cc2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000035412332 172184094 /nfs/dbraw/zinc/18/40/94/172184094.db2.gz ONRZSOBENPCURM-UHFFFAOYSA-N 0 0 260.243 3.138 10 0 CGAERN CN[C@@H](c1ccco1)c1cc(Br)ccc1OC ZINC000035455943 172206949 /nfs/dbraw/zinc/20/69/49/172206949.db2.gz YRDXTIVBFSRLCG-CYBMUJFWSA-N 0 0 296.164 3.360 10 0 CGAERN C[C@@H](Nc1ccc(Br)cc1N)[C@H]1CCCO1 ZINC000035734667 172387033 /nfs/dbraw/zinc/38/70/33/172387033.db2.gz VVCNMKUHXZJFNW-PRHODGIISA-N 0 0 285.185 3.011 10 0 CGAERN Cc1cc2ncc([C@@H](C)N[C@H](C)c3ccco3)c(C)n2n1 ZINC000035738612 172391898 /nfs/dbraw/zinc/39/18/98/172391898.db2.gz SLQVLJDNUMQDLN-VXGBXAGGSA-N 0 0 284.363 3.351 10 0 CGAERN COC(=O)C[C@H](C)Nc1cccc(Cl)c1Cl ZINC000035748678 172396701 /nfs/dbraw/zinc/39/67/01/172396701.db2.gz NLUHNOFRHRZMFQ-ZETCQYMHSA-N 0 0 262.136 3.357 10 0 CGAERN FC(F)(F)CN[C@@H](c1ccccc1)c1ccncc1 ZINC000036303041 172596565 /nfs/dbraw/zinc/59/65/65/172596565.db2.gz XRTGKMZBWAVNHP-ZDUSSCGKSA-N 0 0 266.266 3.323 10 0 CGAERN Cc1ccc(/C=C/C(=O)Nc2c(C)n[nH]c2C)s1 ZINC000036733585 172664842 /nfs/dbraw/zinc/66/48/42/172664842.db2.gz NQLHSWBTZGJWBS-VOTSOKGWSA-N 0 0 261.350 3.048 10 0 CGAERN CN(Cc1cc(N)ccc1Cl)C(=O)C1CCCCC1 ZINC000036738746 172670234 /nfs/dbraw/zinc/67/02/34/172670234.db2.gz FHURNJQPYNBFTM-UHFFFAOYSA-N 0 0 280.799 3.461 10 0 CGAERN COc1cccc(C(=O)c2ccc(OC)cc2F)c1 ZINC000036766298 172684633 /nfs/dbraw/zinc/68/46/33/172684633.db2.gz ZJEUZYSLLHIBJT-UHFFFAOYSA-N 0 0 260.264 3.074 10 0 CGAERN Cc1ccc(C(=O)N(C)C)cc1N[C@H](C)C1(C)CC1 ZINC000036998203 172857335 /nfs/dbraw/zinc/85/73/35/172857335.db2.gz HTYTVPBCHDRFEQ-GFCCVEGCSA-N 0 0 260.381 3.297 10 0 CGAERN CC(C)[NH2+][C@@](C)(C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000037182883 173015265 /nfs/dbraw/zinc/01/52/65/173015265.db2.gz VUPATSPSTZKWIQ-GFCCVEGCSA-N 0 0 275.270 3.003 10 0 CGAERN CC(C)c1nn(C)cc1CNc1ccc(F)cc1F ZINC000037212392 173033623 /nfs/dbraw/zinc/03/36/23/173033623.db2.gz UYZLGHMICKXLIG-UHFFFAOYSA-N 0 0 265.307 3.434 10 0 CGAERN Nc1cc(CSc2nc3ccccc3[nH]2)ccc1O ZINC000037285639 173091859 /nfs/dbraw/zinc/09/18/59/173091859.db2.gz UNGFPRMNYSUDQR-UHFFFAOYSA-N 0 0 271.345 3.143 10 0 CGAERN Nc1cc(F)cc(Br)c1OCc1ccncc1 ZINC000037288824 173094022 /nfs/dbraw/zinc/09/40/22/173094022.db2.gz AZZOQUDYOXLKQW-UHFFFAOYSA-N 0 0 297.127 3.144 10 0 CGAERN CCOC(=O)c1sc(-c2cccc(OC)c2)cc1N ZINC000037337691 173138132 /nfs/dbraw/zinc/13/81/32/173138132.db2.gz BMINCFLIZDGROC-UHFFFAOYSA-N 0 0 277.345 3.183 10 0 CGAERN CC[C@H](C)c1nn(C)c(N)c1-c1ccc(OC)cc1 ZINC000037351788 173145159 /nfs/dbraw/zinc/14/51/59/173145159.db2.gz BASPLFNOCKKSRC-JTQLQIEISA-N 0 0 259.353 3.191 10 0 CGAERN Cc1ccc(C(=O)[C@@H]2Cc3ccccc3O2)cc1C ZINC000037363146 173151744 /nfs/dbraw/zinc/15/17/44/173151744.db2.gz NVWCPOLJADFFFJ-INIZCTEOSA-N 0 0 252.313 3.490 10 0 CGAERN CCCN(CC(=O)c1cc(F)ccc1OC)C(C)C ZINC000037415050 173191627 /nfs/dbraw/zinc/19/16/27/173191627.db2.gz BSHRFNIOPWNDJL-UHFFFAOYSA-N 0 0 267.344 3.137 10 0 CGAERN CCn1c2cccc(F)c2nc1-c1ccc(N)cc1 ZINC000037442647 173211352 /nfs/dbraw/zinc/21/13/52/173211352.db2.gz GCWSRSKHCUEVRU-UHFFFAOYSA-N 0 0 255.296 3.445 10 0 CGAERN NC(=S)c1ccc(NCCCc2ccccc2)cc1 ZINC000037719644 173637669 /nfs/dbraw/zinc/63/76/69/173637669.db2.gz NYGQHNKDNFHGNB-UHFFFAOYSA-N 0 0 270.401 3.366 10 0 CGAERN CCOC(=O)Cc1csc2nc([C@@H](C)CC)cn12 ZINC000037745493 173668279 /nfs/dbraw/zinc/66/82/79/173668279.db2.gz UAMJEDQYYPQYJA-VIFPVBQESA-N 0 0 266.366 3.015 10 0 CGAERN C[C@H](Nc1ccc2nccnc2c1)c1cccnc1 ZINC000037772994 173705322 /nfs/dbraw/zinc/70/53/22/173705322.db2.gz VEDJQGWLLBWAQE-NSHDSACASA-N 0 0 250.305 3.198 10 0 CGAERN CCCn1cc(NCc2ccccc2F)ccc1=O ZINC000037774540 173706781 /nfs/dbraw/zinc/70/67/81/173706781.db2.gz DQYNDJCSWWCIDB-UHFFFAOYSA-N 0 0 260.312 3.010 10 0 CGAERN C[C@@H](Nc1ccc(N(C)C)c(Cl)c1)c1cc[nH]n1 ZINC000037908498 173841114 /nfs/dbraw/zinc/84/11/14/173841114.db2.gz JOTPKJJVOJSLDE-SECBINFHSA-N 0 0 264.760 3.302 10 0 CGAERN NC(=O)[C@H](Nc1ccc(Cl)cc1)c1ccsc1 ZINC000037945151 173885625 /nfs/dbraw/zinc/88/56/25/173885625.db2.gz KRMMYDTVSNIMAX-LLVKDONJSA-N 0 0 266.753 3.040 10 0 CGAERN CCOC(=O)[C@H](NCC(C)C)c1ccccc1Cl ZINC000037966286 173912098 /nfs/dbraw/zinc/91/20/98/173912098.db2.gz BSWMGOZBLLXSOA-CYBMUJFWSA-N 0 0 269.772 3.190 10 0 CGAERN CCOC(=O)[C@H](NC1CCCCC1)c1ccsc1 ZINC000037972181 173924924 /nfs/dbraw/zinc/92/49/24/173924924.db2.gz UJEURAYDKIERIU-CYBMUJFWSA-N 0 0 267.394 3.275 10 0 CGAERN O=C([O-])[C@H]([NH2+]C1CCCCCC1)c1ccsc1 ZINC000037972425 173925644 /nfs/dbraw/zinc/92/56/44/173925644.db2.gz AQLNXQYEDYWYKZ-GFCCVEGCSA-N 0 0 253.367 3.186 10 0 CGAERN CCCC(CCC)(NCC(F)(F)F)C(=O)OCC ZINC000037973790 173927817 /nfs/dbraw/zinc/92/78/17/173927817.db2.gz VCCJXKOKZAKDTQ-UHFFFAOYSA-N 0 0 269.307 3.040 10 0 CGAERN NC(=S)CCCOc1ccc(Cl)c(Cl)c1 ZINC000038001437 173964036 /nfs/dbraw/zinc/96/40/36/173964036.db2.gz RAZWNYRGHZSXMJ-UHFFFAOYSA-N 0 0 264.177 3.439 10 0 CGAERN CCOc1ccc(NC(=O)NC2CCCCC2)cc1CO ZINC000038033710 174031543 /nfs/dbraw/zinc/03/15/43/174031543.db2.gz FKRCQWNGQXSSCR-UHFFFAOYSA-N 0 0 292.379 3.032 10 0 CGAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000038066175 174077518 /nfs/dbraw/zinc/07/75/18/174077518.db2.gz HPNKDPIWZDXAGF-KWQFWETISA-N 0 0 275.270 3.219 10 0 CGAERN CCOC(=O)C1(N[C@@H](C)CC)CCC(CC)CC1 ZINC000038067796 174079762 /nfs/dbraw/zinc/07/97/62/174079762.db2.gz RPTHJJRJWDCPEN-OPFPJEHXSA-N 0 0 255.402 3.277 10 0 CGAERN Cc1cc(C)cc(CN2CCc3cc(N)ccc32)c1 ZINC000038076861 174087415 /nfs/dbraw/zinc/08/74/15/174087415.db2.gz XJPHKJLZYUQSEP-UHFFFAOYSA-N 0 0 252.361 3.448 10 0 CGAERN C[C@@H](c1ccc(O)cc1)N(C)C(=O)Cc1cccs1 ZINC000038090138 174103064 /nfs/dbraw/zinc/10/30/64/174103064.db2.gz QYOSWTQSLOJUBM-NSHDSACASA-N 0 0 275.373 3.216 10 0 CGAERN Cc1ncc(N)cc1C(=O)Nc1cccc(Cl)c1C ZINC000038094953 174108814 /nfs/dbraw/zinc/10/88/14/174108814.db2.gz CKJOAYXBWPHONU-UHFFFAOYSA-N 0 0 275.739 3.186 10 0 CGAERN C[C@@H](Oc1cncc(Cl)n1)c1cccc(F)c1 ZINC000038526373 174144102 /nfs/dbraw/zinc/14/41/02/174144102.db2.gz AEKVMDSKMIBDKH-MRVPVSSYSA-N 0 0 252.676 3.409 10 0 CGAERN Cc1ccc(-c2nnc(CNc3ccccc3)[nH]2)cc1 ZINC000040174437 174200188 /nfs/dbraw/zinc/20/01/88/174200188.db2.gz HKNCQLPGHSCFDM-UHFFFAOYSA-N 0 0 264.332 3.392 10 0 CGAERN O=Cc1cc2ccccc2nc1OCc1ccco1 ZINC000040177300 174202613 /nfs/dbraw/zinc/20/26/13/174202613.db2.gz CMYIUOLRJKKLSX-UHFFFAOYSA-N 0 0 253.257 3.219 10 0 CGAERN CCOC(=O)c1c(C)noc1-c1ccc(Cl)cc1 ZINC000040177699 174202864 /nfs/dbraw/zinc/20/28/64/174202864.db2.gz RVSJJYBEIUUEKK-UHFFFAOYSA-N 0 0 265.696 3.480 10 0 CGAERN Fc1cccc(NCc2ccc3c(c2)OCO3)c1F ZINC000040229847 174209296 /nfs/dbraw/zinc/20/92/96/174209296.db2.gz 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MUOBHDFKYIUOBM-LBPRGKRZSA-N 0 0 271.719 3.091 10 0 CGAERN CCOC(=O)c1cccc(CN(C)C(=O)OC(C)(C)C)c1 ZINC000095929826 185031780 /nfs/dbraw/zinc/03/17/80/185031780.db2.gz FYTQRARUOVXOJO-UHFFFAOYSA-N 0 0 293.363 3.230 10 0 CGAERN CCOC(=O)c1cc2cccc(F)c2c(OC(C)=O)c1 ZINC000095937539 185034513 /nfs/dbraw/zinc/03/45/13/185034513.db2.gz KCNSVKIHOXYJSZ-UHFFFAOYSA-N 0 0 276.263 3.081 10 0 CGAERN CC1(C)C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000127753957 187330777 /nfs/dbraw/zinc/33/07/77/187330777.db2.gz QKGHFYSUXMLUSO-VXGBXAGGSA-N 0 0 285.309 3.322 10 0 CGAERN Nc1ncccc1C(=O)Nc1c(Cl)cccc1Cl ZINC000082700012 178202098 /nfs/dbraw/zinc/20/20/98/178202098.db2.gz OHPSHRREUOHLKA-UHFFFAOYSA-N 0 0 282.130 3.223 10 0 CGAERN COc1ccc(CCNc2ccc(OC)c(OC)c2)cc1 ZINC000082712268 178225192 /nfs/dbraw/zinc/22/51/92/178225192.db2.gz DTHBIPZIKVFIQR-UHFFFAOYSA-N 0 0 287.359 3.367 10 0 CGAERN CN(Cc1ccccc1)c1nccc2ccc(N)cc21 ZINC000082753824 178277575 /nfs/dbraw/zinc/27/75/75/178277575.db2.gz JVJCXHVOUKHZOM-UHFFFAOYSA-N 0 0 263.344 3.453 10 0 CGAERN CC1(C)CC(=O)c2cccc(Br)c2O1 ZINC000082791410 178296916 /nfs/dbraw/zinc/29/69/16/178296916.db2.gz WYLCTOOSPZKYPM-UHFFFAOYSA-N 0 0 255.111 3.193 10 0 CGAERN CNc1c(Cl)ncnc1NCCCCC(F)(F)F ZINC000125120250 187170756 /nfs/dbraw/zinc/17/07/56/187170756.db2.gz FCJLSHXNYDWLQY-UHFFFAOYSA-N 0 0 282.697 3.316 10 0 CGAERN Cc1cc(C)nc(Sc2nc(Cl)c(C=O)s2)n1 ZINC000083250721 178368781 /nfs/dbraw/zinc/36/87/81/178368781.db2.gz QZTINUHIGRYUPI-UHFFFAOYSA-N 0 0 285.781 3.167 10 0 CGAERN COC[C@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)cc1 ZINC000126997470 187275708 /nfs/dbraw/zinc/27/57/08/187275708.db2.gz QZWCZORMXAVWLH-HOCLYGCPSA-N 0 0 275.392 3.331 10 0 CGAERN CC(=O)OC(OC(C)=O)c1ccc(Cl)cc1Cl ZINC000000040292 344854238 /nfs/dbraw/zinc/85/42/38/344854238.db2.gz JZENNIVCPDDZDO-UHFFFAOYSA-N 0 0 277.103 3.118 10 0 CGAERN COc1ccc(OC)c2c1CC[C@H](Nc1ccc(O)cc1)C2 ZINC000000009654 344854497 /nfs/dbraw/zinc/85/44/97/344854497.db2.gz JEUGDENZOOQIOT-ZDUSSCGKSA-N 0 0 299.370 3.379 10 0 CGAERN CCC(=O)COc1ccc(C(=O)COC)c2ccccc12 ZINC000001855887 344856295 /nfs/dbraw/zinc/85/62/95/344856295.db2.gz MJJQPGOSAXWINC-UHFFFAOYSA-N 0 0 286.327 3.027 10 0 CGAERN CCOC(=O)CCCC(=O)c1cccc(SC)c1 ZINC000002378942 344857188 /nfs/dbraw/zinc/85/71/88/344857188.db2.gz CZOOUPTXPHMANA-UHFFFAOYSA-N 0 0 266.362 3.325 10 0 CGAERN O=C(c1ccc[nH]c1=S)N1CC=C(c2ccccc2)CC1 ZINC000011240299 344877587 /nfs/dbraw/zinc/87/75/87/344877587.db2.gz KJKXCDCFIPYRKW-UHFFFAOYSA-N 0 0 296.395 3.300 10 0 CGAERN CCCCCC[C@@H](C)NC(=O)OCCCc1c[nH]cn1 ZINC000013793917 344880445 /nfs/dbraw/zinc/88/04/45/344880445.db2.gz CUJVKLOJXOTLLG-CYBMUJFWSA-N 0 0 281.400 3.427 10 0 CGAERN CCOC(=O)/C(=C/c1ccccc1C(F)(F)F)C(C)=O ZINC000022308797 344894840 /nfs/dbraw/zinc/89/48/40/344894840.db2.gz SLKLZDHEMCXMNH-DHZHZOJOSA-N 0 0 286.249 3.241 10 0 CGAERN C[C@@H](COC(=O)c1cc(N)ccc1O)CC(C)(C)C ZINC000034219642 344938589 /nfs/dbraw/zinc/93/85/89/344938589.db2.gz JBWQZIOVJZEYPB-SNVBAGLBSA-N 0 0 265.353 3.204 10 0 CGAERN CCc1ccc2c(c1)[C@@H](C=O)c1ccccc1CO2 ZINC000034183430 344937894 /nfs/dbraw/zinc/93/78/94/344937894.db2.gz QWVLTMSTSGYNKY-INIZCTEOSA-N 0 0 252.313 3.472 10 0 CGAERN C[C@@H](O)c1ccc2c(c1)[S@@](=O)c1ccccc1O2 ZINC000032139197 344929933 /nfs/dbraw/zinc/92/99/33/344929933.db2.gz ROTMKNCHXJMWHM-DYBLOJMWSA-N 0 0 260.314 3.012 10 0 CGAERN O=C1C(=O)N(C2CCCCC2)CC1Cc1ccccc1 ZINC000028617121 344914609 /nfs/dbraw/zinc/91/46/09/344914609.db2.gz GZNOLQXMUAZBRD-UHFFFAOYSA-N 0 0 271.360 3.216 10 0 CGAERN CCOP(=O)(CC(=O)c1ccc(F)cc1)OCC ZINC000038352198 344955874 /nfs/dbraw/zinc/95/58/74/344955874.db2.gz IITIYSJPZFRJOP-UHFFFAOYSA-N 0 0 274.228 3.275 10 0 CGAERN OCCO[C@@H](c1ccco1)c1ccc(Cl)cc1 ZINC000038677230 344956485 /nfs/dbraw/zinc/95/64/85/344956485.db2.gz DMOIGKPOAXKDHQ-CYBMUJFWSA-N 0 0 252.697 3.031 10 0 CGAERN CC[C@@H](C)[C@@H](CO)SCc1ccc(OC)cc1 ZINC000038919862 344956876 /nfs/dbraw/zinc/95/68/76/344956876.db2.gz IRPLUQNIIZFSLL-BXUZGUMPSA-N 0 0 254.395 3.335 10 0 CGAERN O=C1c2cccn2-c2ncccc2O[C@@H]1c1ccccc1 ZINC000039044670 344957186 /nfs/dbraw/zinc/95/71/86/344957186.db2.gz QYCNCGUTDFPQNS-MRXNPFEDSA-N 0 0 276.295 3.189 10 0 CGAERN COc1cc(C(C)=O)c(O)cc1OCc1ccccc1 ZINC000039023213 344957294 /nfs/dbraw/zinc/95/72/94/344957294.db2.gz FIPKPTOKXILFGI-UHFFFAOYSA-N 0 0 272.300 3.182 10 0 CGAERN COc1cc2c(cc1C(C)=O)C(C)(C)OCC2(C)C ZINC000039000702 344957331 /nfs/dbraw/zinc/95/73/31/344957331.db2.gz SSVUUOCVHRPGJH-UHFFFAOYSA-N 0 0 262.349 3.441 10 0 CGAERN CC(=O)OCCNc1ccc(Oc2ccccc2)cc1 ZINC000039001628 344957347 /nfs/dbraw/zinc/95/73/47/344957347.db2.gz AFNWCAAENQJXIE-UHFFFAOYSA-N 0 0 271.316 3.454 10 0 CGAERN COCOc1c(Br)cccc1Br ZINC000039156045 344958082 /nfs/dbraw/zinc/95/80/82/344958082.db2.gz XAJIRWLAZNHZHJ-UHFFFAOYSA-N 0 0 295.958 3.194 10 0 CGAERN CCOC(=O)/C=C/c1ccc(C)c(Br)c1 ZINC000039207969 344958985 /nfs/dbraw/zinc/95/89/85/344958985.db2.gz RDBQRODEUWBNEO-VOTSOKGWSA-N 0 0 269.138 3.334 10 0 CGAERN Cc1ccc([C@@H](O)c2ccc(Br)o2)s1 ZINC000040242341 344961850 /nfs/dbraw/zinc/96/18/50/344961850.db2.gz XREVFEQWDJOQMI-JTQLQIEISA-N 0 0 273.151 3.494 10 0 CGAERN COc1ccc(C(=S)Nc2ccccc2OC)cc1 ZINC000034220059 344938703 /nfs/dbraw/zinc/93/87/03/344938703.db2.gz HHWRZQSKCRQXCV-UHFFFAOYSA-N 0 0 273.357 3.491 10 0 CGAERN Nc1cc(C(F)(F)F)ccc1NCc1cccnc1 ZINC000034939632 344941551 /nfs/dbraw/zinc/94/15/51/344941551.db2.gz YEQQXYNVSUXSNU-UHFFFAOYSA-N 0 0 267.254 3.295 10 0 CGAERN COc1ccc(F)cc1C(=O)c1c(OC)cccc1OC ZINC000037362390 344950240 /nfs/dbraw/zinc/95/02/40/344950240.db2.gz XUCGQHDLOXMTEL-UHFFFAOYSA-N 0 0 290.290 3.083 10 0 CGAERN Fc1cccc(F)c1-c1n[nH]cc1Br ZINC000042415143 344983782 /nfs/dbraw/zinc/98/37/82/344983782.db2.gz QQWMMBNVHYTRFO-UHFFFAOYSA-N 0 0 259.053 3.117 10 0 CGAERN C[C@H](NC(=O)N(C)Cc1ccncc1)c1cccs1 ZINC000043289182 344996806 /nfs/dbraw/zinc/99/68/06/344996806.db2.gz MFWQVAVCWFLVLI-NSHDSACASA-N 0 0 275.377 3.046 10 0 CGAERN CCOc1ccccc1[C@H](C)[NH2+][C@H](CC(C)C)C(=O)[O-] ZINC000043432366 344998624 /nfs/dbraw/zinc/99/86/24/344998624.db2.gz UPBBGODPMBRLKY-GXTWGEPZSA-N 0 0 279.380 3.235 10 0 CGAERN CCOC(=O)C(C)(C)C(=O)c1ccc(Br)cc1 ZINC000043501979 344998700 /nfs/dbraw/zinc/99/87/00/344998700.db2.gz DAYDTCOUIHUGPF-UHFFFAOYSA-N 0 0 299.164 3.221 10 0 CGAERN CC(C)c1cc(NC(=O)c2ccc(Br)o2)on1 ZINC000044289614 345007889 /nfs/dbraw/zinc/00/78/89/345007889.db2.gz SVGNYFIKIMVONK-UHFFFAOYSA-N 0 0 299.124 3.406 10 0 CGAERN Cc1ccc(C(=O)CCC(=O)N[C@H](C)C(C)C)s1 ZINC000053272898 345117265 /nfs/dbraw/zinc/11/72/65/345117265.db2.gz MFKYLTHRENYIMM-LLVKDONJSA-N 0 0 267.394 3.180 10 0 CGAERN COc1ccc(C(=O)c2cc(F)c(F)c(F)c2)cc1OC ZINC000055200064 345144949 /nfs/dbraw/zinc/14/49/49/345144949.db2.gz YCRCHTSKBLRBNQ-UHFFFAOYSA-N 0 0 296.244 3.352 10 0 CGAERN C[C@@H](Nc1nccn(C)c1=O)c1ccc(Cl)cc1Cl ZINC000061748271 345232253 /nfs/dbraw/zinc/23/22/53/345232253.db2.gz KNQXPFQUZJKSQJ-MRVPVSSYSA-N 0 0 298.173 3.260 10 0 CGAERN Nc1cc(Br)cnc1SC1CCCC1 ZINC000062829121 345240852 /nfs/dbraw/zinc/24/08/52/345240852.db2.gz SKNHQBMJZJNEHO-UHFFFAOYSA-N 0 0 273.199 3.461 10 0 CGAERN Cc1ccc([N+](=O)[O-])c(CBr)c1Cl ZINC000059354410 345207211 /nfs/dbraw/zinc/20/72/11/345207211.db2.gz FSBZIYRDBQTBCB-UHFFFAOYSA-N 0 0 264.506 3.452 10 0 CGAERN CC(C)[C@H](C)NC(=O)c1ccccc1C(F)(F)F ZINC000060626541 345221375 /nfs/dbraw/zinc/22/13/75/345221375.db2.gz USRKOLPIABAKQD-VIFPVBQESA-N 0 0 259.271 3.480 10 0 CGAERN CN(c1cccc(Br)n1)C1CCCC1 ZINC000069017560 345371226 /nfs/dbraw/zinc/37/12/26/345371226.db2.gz BUJHEURRAJGQHE-UHFFFAOYSA-N 0 0 255.159 3.223 10 0 CGAERN Cc1cc(F)ccc1CN1CCO[C@@H](c2nccs2)C1 ZINC000092831666 232181222 /nfs/dbraw/zinc/18/12/22/232181222.db2.gz GKPYHBCGJCZXIN-CQSZACIVSA-N 0 0 292.379 3.164 10 0 CGAERN Cc1cc(-c2nnc(Br)s2)c(C)o1 ZINC000071051271 345401060 /nfs/dbraw/zinc/40/10/60/345401060.db2.gz LNJWRDOAMDTXOM-UHFFFAOYSA-N 0 0 259.128 3.177 10 0 CGAERN CCC(CC)c1nnc(I)s1 ZINC000071052114 345401525 /nfs/dbraw/zinc/40/15/25/345401525.db2.gz BODONSKYPAEELR-UHFFFAOYSA-N 0 0 282.150 3.046 10 0 CGAERN C[C@@H]1C[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000075518697 345511712 /nfs/dbraw/zinc/51/17/12/345511712.db2.gz PPLFVVFNNFXJHY-SKDRFNHKSA-N 0 0 294.192 3.005 10 0 CGAERN COc1ccc(CCCCCC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000075508005 345510370 /nfs/dbraw/zinc/51/03/70/345510370.db2.gz IHWWFXUQBUHOPA-CJNGLKHVSA-N 0 0 275.392 3.323 10 0 CGAERN C[C@H]1C[C@H]1NC(=O)NCCc1csc2ccccc12 ZINC000075980794 345529432 /nfs/dbraw/zinc/52/94/32/345529432.db2.gz SVJUSUWSBUTZBF-GXFFZTMASA-N 0 0 274.389 3.151 10 0 CGAERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000076073423 345532051 /nfs/dbraw/zinc/53/20/51/345532051.db2.gz OPCCXGAUEVBZBA-XBFCOCLRSA-N 0 0 260.381 3.481 10 0 CGAERN C[C@H](NC(=O)N[C@H]1C[C@H]1C)C(C)(C)c1ccccc1 ZINC000076580752 345546501 /nfs/dbraw/zinc/54/65/01/345546501.db2.gz MYQAJJLYGSYFQN-DYEKYZERSA-N 0 0 260.381 3.060 10 0 CGAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cc2sccc2s1 ZINC000086472786 345749842 /nfs/dbraw/zinc/74/98/42/345749842.db2.gz AIJDSGPCDQODKW-UWVGGRQHSA-N 0 0 295.429 3.244 10 0 CGAERN O=c1cc(-c2cccc(Br)c2)[nH]c(=S)[nH]1 ZINC000084122970 345729843 /nfs/dbraw/zinc/72/98/43/345729843.db2.gz SSXWMEDIDDPNAK-UHFFFAOYSA-N 0 0 283.150 3.274 10 0 CGAERN COC[C@@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1OC ZINC000173586474 232284495 /nfs/dbraw/zinc/28/44/95/232284495.db2.gz XEVBEFOFYKCUQG-HIFRSBDPSA-N 0 0 293.407 3.181 10 0 CGAERN Cn1c(-c2ccc(NC3CC3)nn2)cc2ccccc21 ZINC000097413270 185598952 /nfs/dbraw/zinc/59/89/52/185598952.db2.gz SGGCOCDPXJTCTO-UHFFFAOYSA-N 0 0 264.332 3.210 10 0 CGAERN CCc1cc(NC(=O)C[C@H](C)c2ccccc2OC)n[nH]1 ZINC000103192106 345921019 /nfs/dbraw/zinc/92/10/19/345921019.db2.gz DAEBXJKVKHPVQB-NSHDSACASA-N 0 0 287.363 3.113 10 0 CGAERN C[C@H](COCc1ccccc1)NC(=O)NC1CCCCC1 ZINC000173983375 232292899 /nfs/dbraw/zinc/29/28/99/232292899.db2.gz HPZDOWBPSHZSHG-CQSZACIVSA-N 0 0 290.407 3.224 10 0 CGAERN Nc1cnc(OC(C(F)(F)F)C(F)(F)F)c(Cl)c1 ZINC000113662669 345961045 /nfs/dbraw/zinc/96/10/45/345961045.db2.gz MPWQNFJSIAASFG-UHFFFAOYSA-N 0 0 294.582 3.189 10 0 CGAERN COC(=O)c1cccc(N)c1SCc1ccccc1 ZINC000114060187 345963417 /nfs/dbraw/zinc/96/34/17/345963417.db2.gz ABLWLRNRQIHNSC-UHFFFAOYSA-N 0 0 273.357 3.348 10 0 CGAERN CN(C)c1nc(-n2cccc2)nc2cc(Cl)ccc21 ZINC000115195163 345969319 /nfs/dbraw/zinc/96/93/19/345969319.db2.gz CFRFVDSATMZTEM-UHFFFAOYSA-N 0 0 272.739 3.140 10 0 CGAERN CCN(C)c1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000115195214 345969504 /nfs/dbraw/zinc/96/95/04/345969504.db2.gz OMZZTVWQTYSGGT-UHFFFAOYSA-N 0 0 279.343 3.459 10 0 CGAERN CC[C@H]1COCCN1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000115784517 345973495 /nfs/dbraw/zinc/97/34/95/345973495.db2.gz YHABLFSPOWYIKQ-FZMZJTMJSA-N 0 0 296.798 3.221 10 0 CGAERN CCOc1nn2ccsc2c1NC(=O)OC(C)(C)C ZINC000116670150 345979368 /nfs/dbraw/zinc/97/93/68/345979368.db2.gz UEBFELGDBFDWJB-UHFFFAOYSA-N 0 0 283.353 3.142 10 0 CGAERN COCCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1 ZINC000116761141 345979680 /nfs/dbraw/zinc/97/96/80/345979680.db2.gz KAAALBXFDBAPGY-UHFFFAOYSA-N 0 0 297.333 3.398 10 0 CGAERN C[NH+](C)CCOc1ccc(N)c(Oc2ccccc2)c1 ZINC000117649568 345984939 /nfs/dbraw/zinc/98/49/39/345984939.db2.gz NVEQMVHNGNEOCG-UHFFFAOYSA-N 0 0 272.348 3.002 10 0 CGAERN COCOc1ccc(C=O)c(OCc2ccccc2)c1 ZINC000117652026 345984971 /nfs/dbraw/zinc/98/49/71/345984971.db2.gz OSEIWTSJGCTBHM-UHFFFAOYSA-N 0 0 272.300 3.061 10 0 CGAERN Nc1cc2cccc(Br)c2nc1Cl ZINC000130154509 346055386 /nfs/dbraw/zinc/05/53/86/346055386.db2.gz CHOQUCPIDNXTBR-UHFFFAOYSA-N 0 0 257.518 3.233 10 0 CGAERN CC[C@@](O)(c1nc(Br)cs1)C(C)C ZINC000127711448 346033806 /nfs/dbraw/zinc/03/38/06/346033806.db2.gz WVBCWKJLXNRDPO-VIFPVBQESA-N 0 0 264.188 3.159 10 0 CGAERN Clc1nc(C[C@@H]2CCCCO2)ncc1Br ZINC000127876632 346035461 /nfs/dbraw/zinc/03/54/61/346035461.db2.gz DQINGSMZSBGXNJ-ZETCQYMHSA-N 0 0 291.576 3.004 10 0 CGAERN Cc1ccc2cc(C)c(N)nc2c1Br ZINC000132225178 346070989 /nfs/dbraw/zinc/07/09/89/346070989.db2.gz QZMUOZDBSFGNHP-UHFFFAOYSA-N 0 0 251.127 3.196 10 0 CGAERN O=C(c1ncccc1Br)C1CCCC1 ZINC000133044741 346075165 /nfs/dbraw/zinc/07/51/65/346075165.db2.gz ZVWWWBXHGBNERA-UHFFFAOYSA-N 0 0 254.127 3.217 10 0 CGAERN CCOc1cc(C=O)c(-c2ccc(F)c(F)c2F)cn1 ZINC000140769242 346105916 /nfs/dbraw/zinc/10/59/16/346105916.db2.gz WNIGDLTWVJTGAW-UHFFFAOYSA-N 0 0 281.233 3.377 10 0 CGAERN COc1ccc([C@@H]2CC(=O)Oc3ccccc32)cc1 ZINC000135958274 346089570 /nfs/dbraw/zinc/08/95/70/346089570.db2.gz IZZSQPOOIVBDTL-AWEZNQCLSA-N 0 0 254.285 3.136 10 0 CGAERN C[C@@H](O[C@H]1CCCCO1)C(=O)c1ccc(F)cc1F ZINC000136772716 346091333 /nfs/dbraw/zinc/09/13/33/346091333.db2.gz PANPCCDZBDSJOU-RNCFNFMXSA-N 0 0 270.275 3.079 10 0 CGAERN CCC1=C2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)CC1 ZINC000136686764 346091937 /nfs/dbraw/zinc/09/19/37/346091937.db2.gz MVKKPOCFDDPESW-UHFFFAOYSA-N 0 0 296.370 3.476 10 0 CGAERN CCOC(=O)[C@@H](C)Cc1ccccc1Br ZINC000139563300 346101170 /nfs/dbraw/zinc/10/11/70/346101170.db2.gz LXJLSCWFMMSOIQ-VIFPVBQESA-N 0 0 271.154 3.191 10 0 CGAERN Cc1nc(Cl)c(C#N)cc1C(=O)OCc1ccccc1 ZINC000140930724 346107081 /nfs/dbraw/zinc/10/70/81/346107081.db2.gz AUMMWJGARAJEGU-UHFFFAOYSA-N 0 0 286.718 3.272 10 0 CGAERN COC(=O)[C@H](C)Oc1ccccc1OCc1ccccc1 ZINC000141139518 346107084 /nfs/dbraw/zinc/10/70/84/346107084.db2.gz CVXNRACIKOGXCQ-ZDUSSCGKSA-N 0 0 286.327 3.206 10 0 CGAERN CCOC(C)(C)c1nc(C)c(Br)c(Cl)n1 ZINC000131548673 346065887 /nfs/dbraw/zinc/06/58/87/346065887.db2.gz PBZBENMZMWOUOM-UHFFFAOYSA-N 0 0 293.592 3.473 10 0 CGAERN CCOC(=O)/C=C/C(=O)c1ccc(Cl)cc1Cl ZINC000142728232 346111882 /nfs/dbraw/zinc/11/18/82/346111882.db2.gz OJIGOFYKQNIICL-AATRIKPKSA-N 0 0 273.115 3.295 10 0 CGAERN Cc1ccc(S(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000143191855 346113059 /nfs/dbraw/zinc/11/30/59/346113059.db2.gz JROXJJKKWYXUKZ-CVEARBPZSA-N 0 0 272.369 3.325 10 0 CGAERN Cc1cc(O[C@H]2CC[C@H](O)C2)cc(C)c1Br ZINC000145238727 346119780 /nfs/dbraw/zinc/11/97/80/346119780.db2.gz XBDIWCAVDGCULG-QWRGUYRKSA-N 0 0 285.181 3.358 10 0 CGAERN CC(=O)O[C@H](c1cncc(Br)c1)C(F)(F)F ZINC000145942980 346122229 /nfs/dbraw/zinc/12/22/29/346122229.db2.gz FDRPWKNLVICZNP-MRVPVSSYSA-N 0 0 298.058 3.011 10 0 CGAERN CC1(C)OC(c2cnc(N)c(C(F)(F)F)c2)OC1(C)C ZINC000146494372 346123749 /nfs/dbraw/zinc/12/37/49/346123749.db2.gz LFTUOWNRFBPPCI-UHFFFAOYSA-N 0 0 290.285 3.285 10 0 CGAERN Cc1cccc([C@@H](C)[C@@H](Br)C=O)c1C ZINC000146550707 346124235 /nfs/dbraw/zinc/12/42/35/346124235.db2.gz CKNOCKWLNHPVRL-PWSUYJOCSA-N 0 0 255.155 3.369 10 0 CGAERN CCO[C@H]1C[C@@H](N(C)C(=O)NCC(C)C)C12CCCC2 ZINC000152755506 346143344 /nfs/dbraw/zinc/14/33/44/346143344.db2.gz QAIHZDQMQMIIIL-KGLIPLIRSA-N 0 0 282.428 3.022 10 0 CGAERN CC(C)(C)c1cc(N)n(-c2ccc(Cl)c(O)c2)n1 ZINC000148843899 346129762 /nfs/dbraw/zinc/12/97/62/346129762.db2.gz NXQLCKVPOVWUJU-UHFFFAOYSA-N 0 0 265.744 3.111 10 0 CGAERN N#C[C@H](C=O)c1ccc(OCc2ccccc2)cc1 ZINC000149337005 346130366 /nfs/dbraw/zinc/13/03/66/346130366.db2.gz UUUFRPWSPYFXPB-OAHLLOKOSA-N 0 0 251.285 3.072 10 0 CGAERN CN1C(=O)CCc2cc(Br)c(Cl)cc21 ZINC000150116670 346132610 /nfs/dbraw/zinc/13/26/10/346132610.db2.gz IFKKHHBIBWEPQF-UHFFFAOYSA-N 0 0 274.545 3.012 10 0 CGAERN CC(C)(C)OC(=O)N1CC=C(c2ccc(N)c(F)c2)CC1 ZINC000150326596 346133157 /nfs/dbraw/zinc/13/31/57/346133157.db2.gz FGRJVNFXTODEIZ-UHFFFAOYSA-N 0 0 292.354 3.432 10 0 CGAERN O[C@@H](c1ccc(Br)s1)C1=COCCC1 ZINC000159938738 346169480 /nfs/dbraw/zinc/16/94/80/346169480.db2.gz BBDPVPQDJSWVAN-SNVBAGLBSA-N 0 0 275.167 3.238 10 0 CGAERN C[C@H]1CNc2cc(F)c(Br)cc2S1 ZINC000162428441 346178633 /nfs/dbraw/zinc/17/86/33/346178633.db2.gz CHINHRSKGKWSKM-YFKPBYRVSA-N 0 0 262.147 3.494 10 0 CGAERN Cc1nc(Br)cc(SC(C)(C)C)n1 ZINC000160878841 346172999 /nfs/dbraw/zinc/17/29/99/346172999.db2.gz QPCDBEMPVBSLKR-UHFFFAOYSA-N 0 0 261.188 3.438 10 0 CGAERN C[C@](O)(c1ccc(Br)cc1)C1CCC1 ZINC000161215266 346175219 /nfs/dbraw/zinc/17/52/19/346175219.db2.gz QMXISMXDEWIKHJ-GFCCVEGCSA-N 0 0 255.155 3.457 10 0 CGAERN Cc1ccccc1C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000178236160 232385570 /nfs/dbraw/zinc/38/55/70/232385570.db2.gz PWJDGPSCRQRHQE-RHSMWYFYSA-N 0 0 287.403 3.269 10 0 CGAERN C[C@H]1CS[C@@H](c2ccc(Br)c(F)c2)N1 ZINC000161838536 346176877 /nfs/dbraw/zinc/17/68/77/346176877.db2.gz UTJUXSGZTWNAOL-WKEGUHRASA-N 0 0 276.174 3.312 10 0 CGAERN CCOCCN(CC)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000154899345 346151365 /nfs/dbraw/zinc/15/13/65/346151365.db2.gz DAOIWCYHGQUVSH-GJZGRUSLSA-N 0 0 267.413 3.088 10 0 CGAERN CCN(CC)c1cc(N)c(C)cc1Br ZINC000162006927 346177555 /nfs/dbraw/zinc/17/75/55/346177555.db2.gz LRVBXZXLVVFGIG-UHFFFAOYSA-N 0 0 257.175 3.186 10 0 CGAERN Cc1cc(Br)ccc1-c1nnc(Cl)o1 ZINC000157778481 346162629 /nfs/dbraw/zinc/16/26/29/346162629.db2.gz FIJLXGLVRGUTQT-UHFFFAOYSA-N 0 0 273.517 3.461 10 0 CGAERN C[C@@H]1C[C@@H](C)CCN1c1cncc(Br)c1 ZINC000157714634 346162634 /nfs/dbraw/zinc/16/26/34/346162634.db2.gz HZQZDLYFBQXYOU-VHSXEESVSA-N 0 0 269.186 3.469 10 0 CGAERN CC(C)Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCOC2)cc1 ZINC000170786971 346199102 /nfs/dbraw/zinc/19/91/02/346199102.db2.gz ZNNIMRAFIDTNHR-RHSMWYFYSA-N 0 0 289.419 3.489 10 0 CGAERN C[C@H]1C[C@H]1NC(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000170829433 346199556 /nfs/dbraw/zinc/19/95/56/346199556.db2.gz PPYVJMGQKGVTIU-JOYOIKCWSA-N 0 0 290.754 3.056 10 0 CGAERN CC(C)(Br)C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000162836744 346180007 /nfs/dbraw/zinc/18/00/07/346180007.db2.gz CXHZQJRRGSNUQY-VIFPVBQESA-N 0 0 276.218 3.245 10 0 CGAERN Cc1ccoc1-c1ncc(Br)c(Cl)n1 ZINC000165059040 346183280 /nfs/dbraw/zinc/18/32/80/346183280.db2.gz PVWQLLQUIHNGAC-UHFFFAOYSA-N 0 0 273.517 3.461 10 0 CGAERN CC1(C)c2cc(OCc3ccccc3)ccc2NC1=O ZINC000165276280 346184098 /nfs/dbraw/zinc/18/40/98/346184098.db2.gz BOZAUWXEAYBKQA-UHFFFAOYSA-N 0 0 267.328 3.495 10 0 CGAERN Cc1c(N)cnc(OCc2ccccc2)c1Br ZINC000165623528 346184550 /nfs/dbraw/zinc/18/45/50/346184550.db2.gz BMGNBJOEAWCNLH-UHFFFAOYSA-N 0 0 293.164 3.314 10 0 CGAERN COC(=O)C(C)(C)c1ccc2cc(OC)ccc2c1 ZINC000165584291 346184854 /nfs/dbraw/zinc/18/48/54/346184854.db2.gz XAHFBCKECDPBLV-UHFFFAOYSA-N 0 0 258.317 3.299 10 0 CGAERN NN[C@@H](c1cccs1)c1cscc1Br ZINC000165815672 346185496 /nfs/dbraw/zinc/18/54/96/346185496.db2.gz BZZOROFLUZGLDC-SECBINFHSA-N 0 0 289.223 3.125 10 0 CGAERN CN1Cc2ccc(Cl)nc2O[C@H](c2ccccc2)C1 ZINC000166670559 346187035 /nfs/dbraw/zinc/18/70/35/346187035.db2.gz DZFSFMXDCYWTGN-ZDUSSCGKSA-N 0 0 274.751 3.301 10 0 CGAERN O=C(OCc1ccccc1)[C@H]1C[C@@H]1c1ccc(O)cc1 ZINC000168604393 346191440 /nfs/dbraw/zinc/19/14/40/346191440.db2.gz WWDYVYAEUNLWBT-CVEARBPZSA-N 0 0 268.312 3.239 10 0 CGAERN Cc1cnc(CCNC(=O)CCC2CCCC2)n1C(C)C ZINC000169788175 346193091 /nfs/dbraw/zinc/19/30/91/346193091.db2.gz JBWWAGRXLJKKCG-UHFFFAOYSA-N 0 0 291.439 3.402 10 0 CGAERN CC[C@H](C)CS(=O)(=O)c1nc2ccccc2s1 ZINC000176152246 346249048 /nfs/dbraw/zinc/24/90/48/346249048.db2.gz LJWVVPDCWXPXGF-VIFPVBQESA-N 0 0 269.391 3.116 10 0 CGAERN COc1ccc2c(c1)CC[C@H](c1ccccc1)C(=O)N2 ZINC000196421458 346275911 /nfs/dbraw/zinc/27/59/11/346275911.db2.gz CYPTYAZGMFIUJX-OAHLLOKOSA-N 0 0 267.328 3.364 10 0 CGAERN BrC(Br)=Cc1ccncc1 ZINC000196751504 346276396 /nfs/dbraw/zinc/27/63/96/346276396.db2.gz WZJZPTHZKDIMEF-UHFFFAOYSA-N 0 0 262.932 3.170 10 0 CGAERN CC(C)(C)OC(=O)N1CC[C@H](SCc2ccncc2)C1 ZINC000085333638 179021714 /nfs/dbraw/zinc/02/17/14/179021714.db2.gz HDDVQNBDNIBRLH-ZDUSSCGKSA-N 0 0 294.420 3.324 10 0 CGAERN CCCCN(CCCC)C(=O)c1n[nH]c(C)c1Cl ZINC000205494371 346283436 /nfs/dbraw/zinc/28/34/36/346283436.db2.gz UYZJSBTWSYQYBH-UHFFFAOYSA-N 0 0 271.792 3.414 10 0 CGAERN O=c1ccn(-c2ccc(-c3ccccc3)cc2)cc1O ZINC000221429433 346297334 /nfs/dbraw/zinc/29/73/34/346297334.db2.gz BZYGVGCSGGULRG-UHFFFAOYSA-N 0 0 263.296 3.210 10 0 CGAERN CCCCCCOC[C@H](CO)OCc1ccccc1 ZINC000222722233 346299893 /nfs/dbraw/zinc/29/98/93/346299893.db2.gz DLKWPCRPOXAKRZ-INIZCTEOSA-N 0 0 266.381 3.161 10 0 CGAERN C[Si](C)(C)C#Cc1nc(Br)cs1 ZINC000223954029 346301311 /nfs/dbraw/zinc/30/13/11/346301311.db2.gz OMQSCWPEGRLOJY-UHFFFAOYSA-N 0 0 260.232 3.135 10 0 CGAERN Cc1ccc(C(=O)c2cnc3ccccc3c2O)cc1 ZINC000085345576 179028282 /nfs/dbraw/zinc/02/82/82/179028282.db2.gz LZTQUZUFLAZNJX-UHFFFAOYSA-N 0 0 263.296 3.068 10 0 CGAERN CCOC(=O)c1c(Cl)c2cc(Cl)ccc2[nH]c1=O ZINC000085345793 179028374 /nfs/dbraw/zinc/02/83/74/179028374.db2.gz HKHGNYROUNINBE-UHFFFAOYSA-N 0 0 286.114 3.012 10 0 CGAERN CCOC(=O)c1c(Cl)ccc(Cl)c1CC#N ZINC000217956407 346291705 /nfs/dbraw/zinc/29/17/05/346291705.db2.gz YOWINSDTKRAXHF-UHFFFAOYSA-N 0 0 258.104 3.236 10 0 CGAERN COc1cc(Br)cc(C)c1NC1CC1 ZINC000234788520 346332193 /nfs/dbraw/zinc/33/21/93/346332193.db2.gz NSXTVTBIMDNWGD-UHFFFAOYSA-N 0 0 256.143 3.340 10 0 CGAERN CS[C@H](C)CNc1ncnc(Cl)c1Br ZINC000235055290 346333561 /nfs/dbraw/zinc/33/35/61/346333561.db2.gz BRIYFFQNDSFYBP-RXMQYKEDSA-N 0 0 296.621 3.056 10 0 CGAERN Cc1csc([C@H](N)c2sccc2Br)n1 ZINC000228011566 346312389 /nfs/dbraw/zinc/31/23/89/346312389.db2.gz JXGJKKPFJZVWFD-SSDOTTSWSA-N 0 0 289.223 3.324 10 0 CGAERN Cc1nc(Br)cc(N[C@@H]2CC=CCC2)n1 ZINC000229313954 346317055 /nfs/dbraw/zinc/31/70/55/346317055.db2.gz LQZCXPYUPYBFQV-SECBINFHSA-N 0 0 268.158 3.068 10 0 CGAERN S=c1[nH]cc(-c2cc(Br)cs2)[nH]1 ZINC000229871450 346318941 /nfs/dbraw/zinc/31/89/41/346318941.db2.gz HXAANRJRBODDOQ-UHFFFAOYSA-N 0 0 261.169 3.189 10 0 CGAERN CCOc1ccc(-c2nc(Br)ns2)cc1 ZINC000230108812 346319683 /nfs/dbraw/zinc/31/96/83/346319683.db2.gz LHHBHSNOBWBKSO-UHFFFAOYSA-N 0 0 285.166 3.366 10 0 CGAERN C[C@H]1C(=O)[C@H](C)C1c1cccc(Br)c1 ZINC000235308719 346335174 /nfs/dbraw/zinc/33/51/74/346335174.db2.gz YCNNQTRHKVSDJC-HTQZYQBOSA-N 0 0 253.139 3.388 10 0 CGAERN CC(C)(C)Oc1ccc(C=O)c(Br)c1 ZINC000232556389 346326401 /nfs/dbraw/zinc/32/64/01/346326401.db2.gz KOYHNQZJFQYSRG-UHFFFAOYSA-N 0 0 257.127 3.439 10 0 CGAERN Cc1cnc(Br)c(OC(F)(F)F)c1 ZINC000238495824 346348781 /nfs/dbraw/zinc/34/87/81/346348781.db2.gz KNDQBTBPJPONDY-UHFFFAOYSA-N 0 0 256.021 3.051 10 0 CGAERN Cc1ncc(OC(F)(F)F)cc1Br ZINC000238485063 346349153 /nfs/dbraw/zinc/34/91/53/346349153.db2.gz AHAMUUYILXOBNP-UHFFFAOYSA-N 0 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C[C@H](NC(=O)CC1CCCCC1)c1ccccc1N ZINC000037177873 173011276 /nfs/dbraw/zinc/01/12/76/173011276.db2.gz BNUVLLZEDWLNMC-LBPRGKRZSA-N 0 0 260.381 3.416 10 0 CGAERN Cc1ccc(OCCSc2ccc(N)nc2)cc1 ZINC000037192458 173022148 /nfs/dbraw/zinc/02/21/48/173022148.db2.gz FRCDHSKSVGBXHB-UHFFFAOYSA-N 0 0 260.362 3.143 10 0 CGAERN CCN(C)C(=O)CNc1ccc(Cl)cc1C(F)(F)F ZINC000037223255 173043512 /nfs/dbraw/zinc/04/35/12/173043512.db2.gz LZNIMNCXUBZNHO-UHFFFAOYSA-N 0 0 294.704 3.249 10 0 CGAERN Nc1ccc(Cl)cc1C(=O)NCC1CCCCC1 ZINC000037259192 173068903 /nfs/dbraw/zinc/06/89/03/173068903.db2.gz CDGYHBAEMVRUNZ-UHFFFAOYSA-N 0 0 266.772 3.232 10 0 CGAERN CC(C)(C)n1cc(C=O)c(-c2c(F)cccc2F)n1 ZINC000037311359 173113568 /nfs/dbraw/zinc/11/35/68/173113568.db2.gz FSKAXMHGKCYIIZ-UHFFFAOYSA-N 0 0 264.275 3.396 10 0 CGAERN Cc1cc(C)n([C@H](C)C(=O)c2ccc(F)c(F)c2)n1 ZINC000037340706 173142592 /nfs/dbraw/zinc/14/25/92/173142592.db2.gz WSPLUTUWPZEGEG-SNVBAGLBSA-N 0 0 264.275 3.222 10 0 CGAERN CN(CCCc1ccccc1)c1cccc(F)c1N 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265.053 3.295 10 0 CGAERN OCc1cc(Br)c(C(F)F)cc1F ZINC000575687658 377961870 /nfs/dbraw/zinc/96/18/70/377961870.db2.gz VRIUUCJHYHHGKL-UHFFFAOYSA-N 0 0 255.033 3.018 10 0 CGAERN O=Cc1ccc(OC(F)(F)F)c(Br)c1F ZINC000575689535 377964041 /nfs/dbraw/zinc/96/40/41/377964041.db2.gz QUQSPVMBZCVKEL-UHFFFAOYSA-N 0 0 287.006 3.299 10 0 CGAERN COc1cc(Br)cc(F)c1SC ZINC000575689058 377964174 /nfs/dbraw/zinc/96/41/74/377964174.db2.gz JRRFGLHFQNNCOZ-UHFFFAOYSA-N 0 0 251.120 3.319 10 0 CGAERN CCOc1ccc(OC)c(C(F)(F)F)c1OC ZINC000575696234 377970646 /nfs/dbraw/zinc/97/06/46/377970646.db2.gz MDCDLSFBGFNHDY-UHFFFAOYSA-N 0 0 250.216 3.121 10 0 CGAERN CCOC(=O)c1c(CC)ccc(C)c1Br ZINC000575699349 377971284 /nfs/dbraw/zinc/97/12/84/377971284.db2.gz KCUCRBDDUBPWHA-UHFFFAOYSA-N 0 0 271.154 3.497 10 0 CGAERN CCOC(=O)Cc1cc(OC(F)F)c(C)cc1Cl ZINC000575699536 377972660 /nfs/dbraw/zinc/97/26/60/377972660.db2.gz FREPMXIAAGLFEQ-UHFFFAOYSA-N 0 0 278.682 3.355 10 0 CGAERN CCOC(=O)c1c(C)cc(Br)cc1OCC ZINC000575700978 377973666 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VGVZSJHJHMKYJT-SSDOTTSWSA-N 0 0 269.707 3.021 10 0 CGAERN CC[C@@H](C)N[C@](C)(C(=O)OC)c1ccc(F)c(Cl)c1 ZINC000038066808 174078015 /nfs/dbraw/zinc/07/80/15/174078015.db2.gz WGNRAFRYWMEDFZ-OTYXRUKQSA-N 0 0 287.762 3.255 10 0 CGAERN CC[C@H](C)N[C@H](C(=O)OC)c1ccc(SC)cc1 ZINC000038066799 174078682 /nfs/dbraw/zinc/07/86/82/174078682.db2.gz XRIHWBWANIYJAL-GWCFXTLKSA-N 0 0 267.394 3.011 10 0 CGAERN CC[C@H](C)N[C@](C(=O)OC)(c1ccccc1)C(C)C ZINC000038067345 174079338 /nfs/dbraw/zinc/07/93/38/174079338.db2.gz YLRCEYKQABQBQT-BBRMVZONSA-N 0 0 263.381 3.099 10 0 CGAERN Oc1ccc(SC[C@@H]2COC3(CCCC3)O2)cc1 ZINC000038079063 174088826 /nfs/dbraw/zinc/08/88/26/174088826.db2.gz FRRYNYIDTQYMSR-LBPRGKRZSA-N 0 0 266.362 3.170 10 0 CGAERN C[C@H](c1ccc(O)cc1)N(C)C(=O)c1ccc(Cl)o1 ZINC000038090251 174103954 /nfs/dbraw/zinc/10/39/54/174103954.db2.gz XEDPKTRQXXRYFP-SECBINFHSA-N 0 0 279.723 3.472 10 0 CGAERN Cn1ccnc1C(=O)C(c1ccccc1)c1ccccc1 ZINC000038337689 174140032 /nfs/dbraw/zinc/14/00/32/174140032.db2.gz XAVXSCAFZSXHFD-UHFFFAOYSA-N 0 0 276.339 3.435 10 0 CGAERN Cc1cc(=O)oc2cc(OCc3ccccc3)c(N)cc12 ZINC000040166123 174197680 /nfs/dbraw/zinc/19/76/80/174197680.db2.gz COZOTOQFOOQRBQ-UHFFFAOYSA-N 0 0 281.311 3.263 10 0 CGAERN Cc1cccc(C(=O)N(C)C2CCC(C)CC2)c1N ZINC000040216011 174204930 /nfs/dbraw/zinc/20/49/30/174204930.db2.gz QVAGMVFDCJIKOW-UHFFFAOYSA-N 0 0 260.381 3.228 10 0 CGAERN COC(=O)Cn1c2ccccc2nc1-c1ccccc1C ZINC000040239579 174211822 /nfs/dbraw/zinc/21/18/22/174211822.db2.gz JYXITANSGCZXBV-UHFFFAOYSA-N 0 0 280.327 3.185 10 0 CGAERN COc1c(Br)cc(Cl)cc1[C@H](C)O ZINC000040242010 174213705 /nfs/dbraw/zinc/21/37/05/174213705.db2.gz RGFDMBHCAAOHIT-YFKPBYRVSA-N 0 0 265.534 3.164 10 0 CGAERN CCOc1cc(Br)c([C@H](C)O)cc1OCC ZINC000040259206 174216490 /nfs/dbraw/zinc/21/64/90/174216490.db2.gz ZCSBUAALZFHXDV-QMMMGPOBSA-N 0 0 289.169 3.300 10 0 CGAERN O=C1CCCc2cc([C@@H](O)Cc3ccccc3)ccc2N1 ZINC000040261249 174216968 /nfs/dbraw/zinc/21/69/68/174216968.db2.gz QJOIWYBGLUWKKM-KRWDZBQOSA-N 0 0 281.355 3.238 10 0 CGAERN CCNC(=O)Cn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000040307307 174228988 /nfs/dbraw/zinc/22/89/88/174228988.db2.gz HODQJPLBAZQDFP-UHFFFAOYSA-N 0 0 293.370 3.148 10 0 CGAERN Cc1cc2nc(CO)n(CCOc3ccccc3)c2cc1C ZINC000040308915 174229833 /nfs/dbraw/zinc/22/98/33/174229833.db2.gz YGMHYZZOXIODDN-UHFFFAOYSA-N 0 0 296.370 3.224 10 0 CGAERN Cc1cc(Nc2ncnc(Oc3ccc(C)cc3)c2N)no1 ZINC000040681083 174375177 /nfs/dbraw/zinc/37/51/77/174375177.db2.gz XEGLSLWZPXFXKA-UHFFFAOYSA-N 0 0 297.318 3.200 10 0 CGAERN CCc1ccc(Nc2ncnc(OC(C)C)c2N)cc1 ZINC000040688541 174376079 /nfs/dbraw/zinc/37/60/79/174376079.db2.gz HIFAAPVSSQCNER-UHFFFAOYSA-N 0 0 272.352 3.152 10 0 CGAERN CCNc1ncnc(Nc2ccc(Cl)cc2C)c1N ZINC000040703119 174378748 /nfs/dbraw/zinc/37/87/48/174378748.db2.gz PIDQSTMZPBYDRX-UHFFFAOYSA-N 0 0 277.759 3.196 10 0 CGAERN CCOc1ncnc(Nc2ccc(Cl)cc2C)c1N ZINC000040703390 174378956 /nfs/dbraw/zinc/37/89/56/174378956.db2.gz FZWRNNWIFIBLLX-UHFFFAOYSA-N 0 0 278.743 3.163 10 0 CGAERN CCN(CC)c1ncnc(Nc2ccc(C)cc2C)c1N ZINC000040723188 174385647 /nfs/dbraw/zinc/38/56/47/174385647.db2.gz TVHBWEPZEVBXEL-UHFFFAOYSA-N 0 0 285.395 3.265 10 0 CGAERN CCCOc1ccc(-c2nnc(NCC)s2)cc1 ZINC000041650993 174591280 /nfs/dbraw/zinc/59/12/80/174591280.db2.gz QHJFROKQLOOGOE-UHFFFAOYSA-N 0 0 263.366 3.426 10 0 CGAERN CCN(Cc1ccccc1C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000042325926 174685670 /nfs/dbraw/zinc/68/56/70/174685670.db2.gz RNSSCWODPVFNKO-ZBFHGGJFSA-N 0 0 290.407 3.094 10 0 CGAERN CC[C@H](C)N(CCOC)c1ccc(Cl)cc1N ZINC000042578339 174803093 /nfs/dbraw/zinc/80/30/93/174803093.db2.gz UHGVQWHGUZIUGK-JTQLQIEISA-N 0 0 256.777 3.174 10 0 CGAERN C[C@H](O)c1ccc2ccccc2c1OCCCCO ZINC000043445866 175047880 /nfs/dbraw/zinc/04/78/80/175047880.db2.gz WFPWZACHQDDYBC-LBPRGKRZSA-N 0 0 260.333 3.044 10 0 CGAERN O[C@@H]1CCc2nc(-c3ccccc3)nc(C(F)(F)F)c2C1 ZINC000043464288 175052506 /nfs/dbraw/zinc/05/25/06/175052506.db2.gz CAKVCCUKTVNSEN-SNVBAGLBSA-N 0 0 294.276 3.012 10 0 CGAERN O[C@H]1CCC[C@H]1Cc1ccc(Br)s1 ZINC000043655993 175085831 /nfs/dbraw/zinc/08/58/31/175085831.db2.gz CWPQPDPMHWITMH-CBAPKCEASA-N 0 0 261.184 3.214 10 0 CGAERN Cc1nn([C@@H](C)c2ccc(F)cc2F)c(N)c1Cl ZINC000043667469 175086556 /nfs/dbraw/zinc/08/65/56/175086556.db2.gz SMMIBJMVWYRUDR-ZETCQYMHSA-N 0 0 271.698 3.315 10 0 CGAERN Brc1csc(COC[C@@H]2CCCO2)c1 ZINC000043687575 175094984 /nfs/dbraw/zinc/09/49/84/175094984.db2.gz OWWOGABMLCBTRI-VIFPVBQESA-N 0 0 277.183 3.206 10 0 CGAERN CC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000043722207 175104563 /nfs/dbraw/zinc/10/45/63/175104563.db2.gz VATCMYJRIGTKLB-CHWSQXEVSA-N 0 0 264.369 3.481 10 0 CGAERN CC(=O)CCc1ccc(OCC(=O)C(C)(C)C)cc1 ZINC000047819886 175413739 /nfs/dbraw/zinc/41/37/39/175413739.db2.gz NHMJNDVEQOSAGB-UHFFFAOYSA-N 0 0 262.349 3.202 10 0 CGAERN CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(F)c2)C(=O)C1 ZINC000071790676 176262748 /nfs/dbraw/zinc/26/27/48/176262748.db2.gz RNECXUWCHGIBKJ-ZDUSSCGKSA-N 0 0 293.338 3.119 10 0 CGAERN O=c1c2ccc(Br)cc2[nH]c2c1CCCC2 ZINC000072107585 176316902 /nfs/dbraw/zinc/31/69/02/176316902.db2.gz OVQRXWNZKJLDHL-UHFFFAOYSA-N 0 0 278.149 3.169 10 0 CGAERN c1cc(-c2ccnc3nc(Cc4ccccc4)nn32)cs1 ZINC000072451396 176404721 /nfs/dbraw/zinc/40/47/21/176404721.db2.gz KYXWNSIWMVNCRR-UHFFFAOYSA-N 0 0 292.367 3.444 10 0 CGAERN CCN(Cc1ccccc1Cl)C(=O)N[C@H]1C[C@H]1C ZINC000075981618 176856131 /nfs/dbraw/zinc/85/61/31/176856131.db2.gz UBXZJGXRBNWVRQ-MFKMUULPSA-N 0 0 266.772 3.280 10 0 CGAERN Cc1ccc(CCC(=O)Nc2ccc(N)c(F)c2)cc1 ZINC000076855428 177122234 /nfs/dbraw/zinc/12/22/34/177122234.db2.gz ZDNCWTRLSCJDSQ-UHFFFAOYSA-N 0 0 272.323 3.288 10 0 CGAERN COc1cc2nccc(Br)c2c(OC)c1 ZINC000077255332 177244880 /nfs/dbraw/zinc/24/48/80/177244880.db2.gz KBYGCTIMXXVMMP-UHFFFAOYSA-N 0 0 268.110 3.015 10 0 CGAERN CCc1ccc([C@H](C)NC(=O)NCCc2ccccn2)cc1 ZINC000053517637 416479097 /nfs/dbraw/zinc/47/90/97/416479097.db2.gz WBNXDFVPGRMTAR-AWEZNQCLSA-N 0 0 297.402 3.247 10 0 CGAERN Cc1ccccc1[C@H](C)NC(=O)N(C)Cc1ccco1 ZINC000054065384 416481982 /nfs/dbraw/zinc/48/19/82/416481982.db2.gz BFBDHNDSILLPFV-ZDUSSCGKSA-N 0 0 272.348 3.491 10 0 CGAERN O=C(NCC1(C2CC2)CC1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000119012355 416500277 /nfs/dbraw/zinc/50/02/77/416500277.db2.gz WTMIRHVEMOCEQU-SJORKVTESA-N 0 0 299.414 3.461 10 0 CGAERN C=C[C@@](CO)(c1ccc(Cl)cc1)C(F)(F)F ZINC000205099448 416519586 /nfs/dbraw/zinc/51/95/86/416519586.db2.gz DKZZGNJKLWGAGN-SNVBAGLBSA-N 0 0 250.647 3.318 10 0 CGAERN C[C@H]1C[C@H]1NC(=O)c1ccc(Br)c(Cl)c1 ZINC000130446373 287355568 /nfs/dbraw/zinc/35/55/68/287355568.db2.gz ZVGWQEXHQFAHSX-QUBYGPBYSA-N 0 0 288.572 3.241 10 0 CGAERN FC(F)c1nc2cc(CC3CC3)cc(Cl)n2n1 ZINC000725245455 544111790 /nfs/dbraw/zinc/11/17/90/544111790.db2.gz HYDOQHNSOKFKNJ-UHFFFAOYSA-N 0 0 257.671 3.273 10 0 CGAERN CCCCn1nc(C(=O)OC)c(C2CCCCC2)c1N ZINC000725254716 544113365 /nfs/dbraw/zinc/11/33/65/544113365.db2.gz URFPNBRWZWUWSW-UHFFFAOYSA-N 0 0 279.384 3.100 10 0 CGAERN CCc1nn2c(c1Br)NCC[C@@H]2C1(C)CC1 ZINC000725254200 544113405 /nfs/dbraw/zinc/11/34/05/544113405.db2.gz IFEUCMOGJRDYRF-SECBINFHSA-N 0 0 284.201 3.365 10 0 CGAERN COC(=O)c1nn(-c2ccc(C)cc2)c(N)c1C1CCCC1 ZINC000725254607 544113439 /nfs/dbraw/zinc/11/34/39/544113439.db2.gz DZUWDMXTVQZQIV-UHFFFAOYSA-N 0 0 299.374 3.207 10 0 CGAERN COC(=O)c1cc2cc(C(=O)C(C)C)oc2c(C)c1 ZINC000725264908 544114082 /nfs/dbraw/zinc/11/40/82/544114082.db2.gz UHZXHRFMVCRERR-UHFFFAOYSA-N 0 0 260.289 3.367 10 0 CGAERN Cc1cccc([C@@H](C)N[C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000134876130 287455330 /nfs/dbraw/zinc/45/53/30/287455330.db2.gz URMQLMFZQJYDLS-WBMJQRKESA-N 0 0 286.350 3.011 10 0 CGAERN CCc1ccc([C@H](C)NCc2cc(OC)no2)cc1 ZINC000660174197 419093948 /nfs/dbraw/zinc/09/39/48/419093948.db2.gz FZSJFKCZJYSYHI-NSHDSACASA-N 0 0 260.337 3.096 10 0 CGAERN Cc1csc(CCNc2nccnc2C(C)C)n1 ZINC000665690697 419152594 /nfs/dbraw/zinc/15/25/94/419152594.db2.gz SCXOKCNVRGCIAX-UHFFFAOYSA-N 0 0 262.382 3.020 10 0 CGAERN CS[C@H](C)CNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000151492276 287515613 /nfs/dbraw/zinc/51/56/13/287515613.db2.gz NEOHKERJUGUJQE-KXUCPTDWSA-N 0 0 298.374 3.158 10 0 CGAERN Cn1c(COc2cccc(C(F)(F)F)c2)nnc1C1CC1 ZINC000194656461 287619917 /nfs/dbraw/zinc/61/99/17/287619917.db2.gz SKBOACCWLSKNBV-UHFFFAOYSA-N 0 0 297.280 3.290 10 0 CGAERN N[C@H](c1nc(Cc2ccc(Cl)cc2)no1)c1ccccc1 ZINC000021516035 262387864 /nfs/dbraw/zinc/38/78/64/262387864.db2.gz ZYQLJEFLUAPITF-HNNXBMFYSA-N 0 0 299.761 3.362 10 0 CGAERN CCOc1ccccc1[C@@H](C)N[C@@H](CC(C)C)C(=O)OC ZINC000036980529 270028226 /nfs/dbraw/zinc/02/82/26/270028226.db2.gz MOKJSUHNXAGYCA-HIFRSBDPSA-N 0 0 293.407 3.324 10 0 CGAERN CCN(CC)C(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000041174626 270030448 /nfs/dbraw/zinc/03/04/48/270030448.db2.gz MTRFVPSJVCWJIB-OAHLLOKOSA-N 0 0 290.407 3.300 10 0 CGAERN C[C@@H]1COC[C@@H](C)N1C(=O)CCC(C)(C)c1ccccc1 ZINC000041314998 270031035 /nfs/dbraw/zinc/03/10/35/270031035.db2.gz ASHGGJLEAKDLIS-HUUCEWRRSA-N 0 0 289.419 3.380 10 0 CGAERN CC[C@H](C)NC(=O)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000044894228 270037783 /nfs/dbraw/zinc/03/77/83/270037783.db2.gz BLIIPXCVTOUVNN-RYUDHWBXSA-N 0 0 282.815 3.248 10 0 CGAERN Cc1ccc([C@@H](C)NC(=O)c2cccnc2)cc1F ZINC000088234739 270043790 /nfs/dbraw/zinc/04/37/90/270043790.db2.gz LBNYAZCYNWJQJH-LLVKDONJSA-N 0 0 258.296 3.020 10 0 CGAERN Cc1ccc([C@H](C)NC(=O)c2cccnc2)cc1F ZINC000088234740 270043904 /nfs/dbraw/zinc/04/39/04/270043904.db2.gz LBNYAZCYNWJQJH-NSHDSACASA-N 0 0 258.296 3.020 10 0 CGAERN CCC(CC)CNC(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000104549824 270046607 /nfs/dbraw/zinc/04/66/07/270046607.db2.gz LAWIQUMPMKLVHJ-LBPRGKRZSA-N 0 0 279.380 3.015 10 0 CGAERN C[C@H](NCc1cn2cc(Cl)ccc2n1)c1ccncc1 ZINC000105959841 270047942 /nfs/dbraw/zinc/04/79/42/270047942.db2.gz CYMVRLHVMONSED-NSHDSACASA-N 0 0 286.766 3.234 10 0 CGAERN Cc1cc(Br)c(C=O)cc1Br ZINC000148240401 265304419 /nfs/dbraw/zinc/30/44/19/265304419.db2.gz ZRLRTUFATSTXBQ-UHFFFAOYSA-N 0 0 277.943 3.333 10 0 CGAERN C[C@H]1C[C@H]1NC(=O)CCCCCc1ccc(F)cc1 ZINC000189101010 270070676 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CC[C@H](NC(=O)[C@H]1CC[C@H](C)O1)c1cccc(Cl)c1 ZINC000128988888 535852546 /nfs/dbraw/zinc/85/25/46/535852546.db2.gz SAVDLAAQRLKTKE-LEWSCRJBSA-N 0 0 281.783 3.475 10 0 CGAERN COC[C@@H](C)C(=O)N1CCCC[C@H]1CCC(C)C ZINC000128319226 536864173 /nfs/dbraw/zinc/86/41/73/536864173.db2.gz XDUPEVAGRQGUHL-KGLIPLIRSA-N 0 0 255.402 3.086 10 0 CGAERN CCc1cnc([C@@H]2NCCc3ccsc32)s1 ZINC000712553263 567851613 /nfs/dbraw/zinc/85/16/13/567851613.db2.gz NPQDFMFDKKLWNH-SNVBAGLBSA-N 0 0 250.392 3.002 10 0 CGAERN CC(C)=C[C@@H]1[C@H](c2nnc([C@H]3CCOC3)o2)C1(C)C ZINC000299746390 567901529 /nfs/dbraw/zinc/90/15/29/567901529.db2.gz XAQOVFCSGBTJBL-QJPTWQEYSA-N 0 0 262.353 3.279 10 0 CGAERN CC(C)c1nn(C)cc1-c1cc(Cl)cnc1F ZINC000725241486 567907729 /nfs/dbraw/zinc/90/77/29/567907729.db2.gz UJMINYSPSYKRFX-UHFFFAOYSA-N 0 0 253.708 3.398 10 0 CGAERN COC(=O)c1cc(Cl)nc2c1C[C@@H](C(C)C)CC2 ZINC000725259305 567916945 /nfs/dbraw/zinc/91/69/45/567916945.db2.gz DGPZTVHPTJFEMX-VIFPVBQESA-N 0 0 267.756 3.283 10 0 CGAERN Cc1nn(C(C)C)cc1NCc1ccc(O)cc1F ZINC000725242681 570254823 /nfs/dbraw/zinc/25/48/23/570254823.db2.gz UYKZOHLMENNNEN-UHFFFAOYSA-N 0 0 263.316 3.229 10 0 CGAERN C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2sccc21 ZINC000725242522 570254853 /nfs/dbraw/zinc/25/48/53/570254853.db2.gz BMUJWEKIVRZPEU-MEBBXXQBSA-N 0 0 296.436 3.022 10 0 CGAERN Brc1c(-c2ccccc2)nn2c1NCCC2 ZINC000232484416 570410829 /nfs/dbraw/zinc/41/08/29/570410829.db2.gz NECBMEVDXQTXCT-UHFFFAOYSA-N 0 0 278.153 3.128 10 0 CGAERN C[C@H]1C[C@@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000075528554 572840054 /nfs/dbraw/zinc/84/00/54/572840054.db2.gz FFEUDBSYWIDDLO-GUYCJALGSA-N 0 0 265.356 3.421 10 0 CGAERN CC(C)[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757134784 617769233 /nfs/dbraw/zinc/76/92/33/617769233.db2.gz OWTBGJKHRIEIBO-LBPRGKRZSA-N 0 0 293.411 3.326 10 0 CGAERN CCOC(=O)/C=C(/CC)c1ccc(OC)c(OC)c1 ZINC000757190761 617839417 /nfs/dbraw/zinc/83/94/17/617839417.db2.gz CZDQBUYYSTVKCE-KHPPLWFESA-N 0 0 264.321 3.060 10 0 CGAERN 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CCOCCCC(=O)O[C@H]1CCCc2ccccc21 ZINC000121741065 618546157 /nfs/dbraw/zinc/54/61/57/618546157.db2.gz PVQOWUZERNKQIT-HNNXBMFYSA-N 0 0 262.349 3.424 10 0 CGAERN CC(=O)[C@@H]1CCCN(c2ncc(Cl)cc2Cl)C1 ZINC000111690903 618629644 /nfs/dbraw/zinc/62/96/44/618629644.db2.gz BXZFGCZKLDHRRR-SECBINFHSA-N 0 0 273.163 3.194 10 0 CGAERN C[C@@H](OC(=O)Cc1c(F)cccc1F)C1CCC1 ZINC000176765466 618695427 /nfs/dbraw/zinc/69/54/27/618695427.db2.gz HZEHGQGASODHSX-SECBINFHSA-N 0 0 254.276 3.239 10 0 CGAERN C[C@@H](OC(=O)/C=C\c1cccnc1)c1cccs1 ZINC000255715207 618780344 /nfs/dbraw/zinc/78/03/44/618780344.db2.gz FODAPMQTQMYABW-JMEBYUIHSA-N 0 0 259.330 3.461 10 0 CGAERN O=C(N[C@H]1CCCc2cc(F)ccc21)[C@@H](O)c1ccccc1 ZINC000179872540 618810787 /nfs/dbraw/zinc/81/07/87/618810787.db2.gz FWLGTBKBNVCKAO-IRXDYDNUSA-N 0 0 299.345 3.053 10 0 CGAERN Cc1ncn(-c2ccc(C=O)c(Br)c2)c1C ZINC000235947091 618833923 /nfs/dbraw/zinc/83/39/23/618833923.db2.gz XSGHZNURUCOZLO-UHFFFAOYSA-N 0 0 279.137 3.064 10 0 CGAERN C[C@H]1CC[C@H](C(=O)OCc2cc3ccccc3o2)O1 ZINC000177702783 618836583 /nfs/dbraw/zinc/83/65/83/618836583.db2.gz GCUNTMOLDWKGEM-IINYFYTJSA-N 0 0 260.289 3.044 10 0 CGAERN CCN(C(=O)[C@@H]1CC[C@@H](C)O1)c1ccc(C)cc1C ZINC000178128654 618857830 /nfs/dbraw/zinc/85/78/30/618857830.db2.gz WDKZQBQWIUVWRZ-HIFRSBDPSA-N 0 0 261.365 3.224 10 0 CGAERN CCO[C@@H]1C[C@H](OC(=O)CC[C@@H](C)OC)C12CCCC2 ZINC000183298159 619043841 /nfs/dbraw/zinc/04/38/41/619043841.db2.gz DFAQOMQFRGJXRV-MCIONIFRSA-N 0 0 284.396 3.083 10 0 CGAERN CCC[C@H](N)c1nc(-c2cnc3ccccc3c2)no1 ZINC000312268356 619052982 /nfs/dbraw/zinc/05/29/82/619052982.db2.gz MBWTZIKVPPIMOL-LBPRGKRZSA-N 0 0 268.320 3.085 10 0 CGAERN CCOC[C@H](C)OC(=O)CCc1c[nH]c2ccccc12 ZINC000190755843 619102863 /nfs/dbraw/zinc/10/28/63/619102863.db2.gz DQBOADOQLHTYAH-LBPRGKRZSA-N 0 0 275.348 3.069 10 0 CGAERN CCOC[C@H](C)OC(=O)/C=C(\C)c1cccc(OC)c1 ZINC000190745316 619102881 /nfs/dbraw/zinc/10/28/81/619102881.db2.gz PJUIGUDCBQWAFK-SRXBQZRASA-N 0 0 278.348 3.067 10 0 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CGAERN CS[C@@H]1CCCC[C@H]1Nc1nsnc1Cl ZINC000235094858 346333155 /nfs/dbraw/zinc/33/31/55/346333155.db2.gz BYLKIJGOCUKYMP-RNFRBKRXSA-N 0 0 263.819 3.278 10 0 CGAERN Brc1nnc(N2CCC[C@H]3CCC[C@@H]32)s1 ZINC000227174659 346308030 /nfs/dbraw/zinc/30/80/30/346308030.db2.gz JJKLAFXBPNPWCR-SFYZADRCSA-N 0 0 288.214 3.070 10 0 CGAERN Fc1cc(Oc2cncc(Br)c2)ccn1 ZINC000227638657 346310215 /nfs/dbraw/zinc/31/02/15/346310215.db2.gz BTRPCBOVDCSIAO-UHFFFAOYSA-N 0 0 269.073 3.171 10 0 CGAERN Cc1sc(C(=O)[C@@H]2CCCOC2)cc1Br ZINC000227710355 346310990 /nfs/dbraw/zinc/31/09/90/346310990.db2.gz CWXCYHGPKUGPDK-MRVPVSSYSA-N 0 0 289.194 3.428 10 0 CGAERN Cc1nc(OC(F)(F)F)ccc1Br ZINC000238563187 346349731 /nfs/dbraw/zinc/34/97/31/346349731.db2.gz OUALRCVCCOLQFC-UHFFFAOYSA-N 0 0 256.021 3.051 10 0 CGAERN Fc1ccc(I)c(C(F)F)c1 ZINC000238675023 346350334 /nfs/dbraw/zinc/35/03/34/346350334.db2.gz JXQFXYLTTKJBQW-UHFFFAOYSA-N 0 0 272.007 3.368 10 0 CGAERN Cc1cccc([C@@H]2CCCN2C(=O)N[C@H]2C[C@H]2C)c1 ZINC000246227306 346359984 /nfs/dbraw/zinc/35/99/84/346359984.db2.gz SDTQZPQLBRYGKU-SNPRPXQTSA-N 0 0 258.365 3.250 10 0 CGAERN Cc1nc(C(C)(C)C)[nH]c(=S)c1Br ZINC000235824793 346337602 /nfs/dbraw/zinc/33/76/02/346337602.db2.gz YHAOUQZSJBYCFI-UHFFFAOYSA-N 0 0 261.188 3.134 10 0 CGAERN Cc1cc(Sc2ncco2)ncc1Br ZINC000235857328 346338041 /nfs/dbraw/zinc/33/80/41/346338041.db2.gz QSFYQSNCBWVKMF-UHFFFAOYSA-N 0 0 271.139 3.292 10 0 CGAERN O=C(c1ccoc1Br)c1ccc(F)cc1 ZINC000236241229 346339612 /nfs/dbraw/zinc/33/96/12/346339612.db2.gz XNUCOPIJTPIMSS-UHFFFAOYSA-N 0 0 269.069 3.412 10 0 CGAERN O[C@H](c1cccs1)c1scnc1Br ZINC000236581254 346341387 /nfs/dbraw/zinc/34/13/87/346341387.db2.gz VSADWHNFVSRFIW-ZCFIWIBFSA-N 0 0 276.180 3.049 10 0 CGAERN CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1ccc(CC)o1 ZINC000128389144 187367587 /nfs/dbraw/zinc/36/75/87/187367587.db2.gz RZTWBJOHRMKRTI-TZMCWYRMSA-N 0 0 279.380 3.321 10 0 CGAERN CCCC[C@H](CC)CC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000247163234 346368646 /nfs/dbraw/zinc/36/86/46/346368646.db2.gz QQNYKCRETNFTQN-MELADBBJSA-N 0 0 255.402 3.277 10 0 CGAERN CC(C)c1ccc([C@H](C)NC(=O)N[C@H](C)[C@H](C)CO)cc1 ZINC000247172397 346368655 /nfs/dbraw/zinc/36/86/55/346368655.db2.gz LJDOKWWZHZTOFN-MCIONIFRSA-N 0 0 292.423 3.187 10 0 CGAERN O=C(NN=Cc1cccc(Cl)c1)Nc1ccccc1 ZINC000257351942 346399284 /nfs/dbraw/zinc/39/92/84/346399284.db2.gz IAODZYLNQSKBJC-UHFFFAOYSA-N 0 0 273.723 3.496 10 0 CGAERN CCC=NNC(=O)C(c1ccccc1)c1ccccc1 ZINC000257354669 346400086 /nfs/dbraw/zinc/40/00/86/346400086.db2.gz ZCXGJTACLIDOQH-UHFFFAOYSA-N 0 0 266.344 3.331 10 0 CGAERN CC1(C)CCNc2c(I)cccc21 ZINC000300772779 346438309 /nfs/dbraw/zinc/43/83/09/346438309.db2.gz DBQOGXHVHUEHPZ-UHFFFAOYSA-N 0 0 287.144 3.384 10 0 CGAERN Fc1cccc(NC2CCC2)c1I ZINC000300965598 346439033 /nfs/dbraw/zinc/43/90/33/346439033.db2.gz OMQKZFMODVXQIA-UHFFFAOYSA-N 0 0 291.107 3.395 10 0 CGAERN CC1(C)[C@H](CO)[C@H]1c1ccc(Br)s1 ZINC000301026840 346439387 /nfs/dbraw/zinc/43/93/87/346439387.db2.gz SHAJHOXFJIFYLQ-MUWHJKNJSA-N 0 0 261.184 3.243 10 0 CGAERN CO[C@H](C)c1nc2c(cccc2Br)[nH]1 ZINC000306314526 346453134 /nfs/dbraw/zinc/45/31/34/346453134.db2.gz YXGAKDASCKOUSI-ZCFIWIBFSA-N 0 0 255.115 3.033 10 0 CGAERN Clc1nc2cc[nH]c2c(OCc2ccccc2)n1 ZINC000306365127 346453272 /nfs/dbraw/zinc/45/32/72/346453272.db2.gz GQIYADJOZLSXON-UHFFFAOYSA-N 0 0 259.696 3.190 10 0 CGAERN CC(C)OCc1nc(Cl)c(Br)c(Cl)n1 ZINC000306515360 346454584 /nfs/dbraw/zinc/45/45/84/346454584.db2.gz DBZVTZMPECFMSW-UHFFFAOYSA-N 0 0 299.983 3.471 10 0 CGAERN O=C(C[C@H]1CCOC1)c1cc(Br)cs1 ZINC000306576311 346455340 /nfs/dbraw/zinc/45/53/40/346455340.db2.gz KIVWCKPNDLXVOS-SSDOTTSWSA-N 0 0 275.167 3.120 10 0 CGAERN c1nn(Cc2ccccc2)cc1N[C@H]1CC[C@@H]2C[C@@H]21 ZINC000306594257 346455501 /nfs/dbraw/zinc/45/55/01/346455501.db2.gz FFALWGLPPPYIFY-KBMXLJTQSA-N 0 0 253.349 3.142 10 0 CGAERN C[C@H]1C[C@H](Nc2cc(Cl)nnc2Cl)CS1 ZINC000306594741 346455529 /nfs/dbraw/zinc/45/55/29/346455529.db2.gz XMNSTXKUTLQYBJ-WDSKDSINSA-N 0 0 264.181 3.089 10 0 CGAERN C[C@H]1OCC[C@@H]1Sc1cc(Cl)nc(Cl)n1 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C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]1C ZINC000248432538 377318781 /nfs/dbraw/zinc/31/87/81/377318781.db2.gz VZJRRFXFDRHWSZ-OPQQBVKSSA-N 0 0 279.767 3.074 10 0 CGAERN C[C@H]1CC(C(=O)N2CCS[C@@H](C)C2)C[C@H](C)C1 ZINC000248538799 377340997 /nfs/dbraw/zinc/34/09/97/377340997.db2.gz HPKAYKVIORKJKO-UTUOFQBUSA-N 0 0 255.427 3.023 10 0 CGAERN CC(C)[C@H](C)NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000248255361 377283866 /nfs/dbraw/zinc/28/38/66/377283866.db2.gz KPVATSJRIFGVFB-LBPRGKRZSA-N 0 0 263.356 3.408 10 0 CGAERN C[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1cccc(-n2ccnc2)c1 ZINC000248342070 377290573 /nfs/dbraw/zinc/29/05/73/377290573.db2.gz JHRBXVFFGTXICI-VZEFYGNVSA-N 0 0 295.386 3.096 10 0 CGAERN CCCN1Cc2cccc(NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)c2C1 ZINC000248345860 377292961 /nfs/dbraw/zinc/29/29/61/377292961.db2.gz NGYJORXHGBUOBD-HALDLXJZSA-N 0 0 284.403 3.397 10 0 CGAERN O=C([O-])[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000162549122 542165553 /nfs/dbraw/zinc/16/55/53/542165553.db2.gz JOCMOLLPIOWWKH-CABZTGNLSA-N 0 0 285.746 3.212 10 0 CGAERN C[C@@H]1CCC[C@@H](CN2CCO[C@H](c3nccs3)C2)C1 ZINC000092796599 249034978 /nfs/dbraw/zinc/03/49/78/249034978.db2.gz RLSFVXNNUVSYIS-MCIONIFRSA-N 0 0 280.437 3.343 10 0 CGAERN CC[C@H](NC(=O)N[C@H]1CCC[C@H]1CCO)c1cccs1 ZINC000249504765 377510641 /nfs/dbraw/zinc/51/06/41/377510641.db2.gz KFQIEZVOOGOTCQ-AVGNSLFASA-N 0 0 296.436 3.050 10 0 CGAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000172584117 542180195 /nfs/dbraw/zinc/18/01/95/542180195.db2.gz BSOOQEZWUUDIJG-SFFUCWETSA-N 0 0 299.414 3.350 10 0 CGAERN COC(=O)[C@@]1(NCC(F)(F)F)C[C@@H](C)CC[C@@H]1C(C)C ZINC000216404703 291677190 /nfs/dbraw/zinc/67/71/90/291677190.db2.gz WTWZHHOBEQDBOK-DMDPSCGWSA-N 0 0 295.345 3.142 10 0 CGAERN CC1(C)C(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1(C)C ZINC000251103427 377573850 /nfs/dbraw/zinc/57/38/50/377573850.db2.gz AVKYDZSWECYOAJ-BFHYXJOUSA-N 0 0 293.451 3.211 10 0 CGAERN CCc1nn(C)cc1CN1CCCC[C@@H]1c1nccs1 ZINC000179964566 542204246 /nfs/dbraw/zinc/20/42/46/542204246.db2.gz GGIDTDQXMUXFMV-CQSZACIVSA-N 0 0 290.436 3.166 10 0 CGAERN CC1(CC(=O)N[C@H]2CCCC[C@H]2CO)CCCCC1 ZINC000179235647 542200717 /nfs/dbraw/zinc/20/07/17/542200717.db2.gz SWFIQUAYYNAGOG-KBPBESRZSA-N 0 0 267.413 3.014 10 0 CGAERN CC(C)[C@@H](C)NC(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000180244101 542207077 /nfs/dbraw/zinc/20/70/77/542207077.db2.gz VKPSCTDYJPQWIF-SECBINFHSA-N 0 0 288.313 3.290 10 0 CGAERN CCc1cc(=O)[nH]c(CN[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000181345382 542218366 /nfs/dbraw/zinc/21/83/66/542218366.db2.gz BNBVUTBZHBYMPG-NSHDSACASA-N 0 0 289.354 3.043 10 0 CGAERN Cc1ccccc1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000252801798 377664289 /nfs/dbraw/zinc/66/42/89/377664289.db2.gz MQOIADMLYAZSCA-ARFHVFGLSA-N 0 0 285.387 3.073 10 0 CGAERN C[C@@H]1CC[C@H](NC(=O)c2cc3ccccc3[nH]c2=O)[C@@H](C)C1 ZINC000253542580 377697546 /nfs/dbraw/zinc/69/75/46/377697546.db2.gz XGSPGALUFDCXPX-XUJVJEKNSA-N 0 0 298.386 3.495 10 0 CGAERN CCOC(=O)c1ccccc1C(=O)COc1ccccc1 ZINC000575243152 377764504 /nfs/dbraw/zinc/76/45/04/377764504.db2.gz NRFLAYIYQGUUAV-UHFFFAOYSA-N 0 0 284.311 3.125 10 0 CGAERN O=C(c1ccc(OC(F)(F)F)c(F)c1)C(F)F ZINC000575243059 377764890 /nfs/dbraw/zinc/76/48/90/377764890.db2.gz WDXCLIRXYOYBFB-UHFFFAOYSA-N 0 0 258.117 3.172 10 0 CGAERN CCOC(=O)Cc1c(C)cc(C)cc1Br ZINC000260139100 377806936 /nfs/dbraw/zinc/80/69/36/377806936.db2.gz PEQWKJCMFWSEHZ-UHFFFAOYSA-N 0 0 271.154 3.172 10 0 CGAERN CCOC(=O)Cc1c(C)ccc(Br)c1C ZINC000261055520 377810072 /nfs/dbraw/zinc/81/00/72/377810072.db2.gz KSMIQRDVIKKMCA-UHFFFAOYSA-N 0 0 271.154 3.172 10 0 CGAERN CCOC(=O)c1cc(Br)c(CC)cc1OC ZINC000260906053 377810420 /nfs/dbraw/zinc/81/04/20/377810420.db2.gz IPFZOYRTVDEUCR-UHFFFAOYSA-N 0 0 287.153 3.197 10 0 CGAERN O=C(Nc1ccon1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000183501173 542231496 /nfs/dbraw/zinc/23/14/96/542231496.db2.gz HYGCMZYTYPRSRH-GFCCVEGCSA-N 0 0 275.283 3.013 10 0 CGAERN CCOC(=O)c1cc(Cl)cc(OC(F)(F)F)c1 ZINC000575339166 377880766 /nfs/dbraw/zinc/88/07/66/377880766.db2.gz JTDYEPJWRPCXAH-UHFFFAOYSA-N 0 0 268.618 3.415 10 0 CGAERN CCN(CC)c1ccc(C(=O)CCCC(=O)OC)cc1 ZINC000575358093 377885797 /nfs/dbraw/zinc/88/57/97/377885797.db2.gz JEUUPXDJLMBBLC-UHFFFAOYSA-N 0 0 277.364 3.059 10 0 CGAERN COc1ccc2cc(C(=O)C(C)(C)OC(C)=O)ccc2c1 ZINC000575358490 377886138 /nfs/dbraw/zinc/88/61/38/377886138.db2.gz NIGGMKUIRVVVTH-UHFFFAOYSA-N 0 0 286.327 3.373 10 0 CGAERN COc1c(F)cc(F)cc1C(=O)C(F)(F)C(F)F ZINC000575358013 377886501 /nfs/dbraw/zinc/88/65/01/377886501.db2.gz BNZPQHXNNSMXOV-UHFFFAOYSA-N 0 0 272.144 3.057 10 0 CGAERN COc1cc(C(F)(F)F)cnc1OC(F)(F)F ZINC000575375266 377889919 /nfs/dbraw/zinc/88/99/19/377889919.db2.gz OXXVCLDRCLAEMU-UHFFFAOYSA-N 0 0 261.121 3.008 10 0 CGAERN COC(=O)c1cc(C(F)(F)F)c(N)c(C(F)(F)F)c1 ZINC000575379161 377890210 /nfs/dbraw/zinc/89/02/10/377890210.db2.gz RGTUADKFPIYKEJ-UHFFFAOYSA-N 0 0 287.159 3.093 10 0 CGAERN COC(=O)c1c(C(F)(F)F)cc(N)cc1C(F)(F)F ZINC000575379151 377890493 /nfs/dbraw/zinc/89/04/93/377890493.db2.gz OJUBWFJWZFNHJH-UHFFFAOYSA-N 0 0 287.159 3.093 10 0 CGAERN COC[C@H](Nc1ccc(-n2ccnc2)c(Cl)c1)C1CC1 ZINC000183032191 542227929 /nfs/dbraw/zinc/22/79/29/542227929.db2.gz ABESWEJJCIODCZ-AWEZNQCLSA-N 0 0 291.782 3.363 10 0 CGAERN Nc1nc(-c2ccsc2Br)cs1 ZINC000575498538 377916370 /nfs/dbraw/zinc/91/63/70/377916370.db2.gz JENVJOKCQYMAEJ-UHFFFAOYSA-N 0 0 261.169 3.047 10 0 CGAERN C[C@H]1C[C@H]1CNc1ccc(I)cc1 ZINC000575538776 377916498 /nfs/dbraw/zinc/91/64/98/377916498.db2.gz PSTBMDHVSFSIBW-IUCAKERBSA-N 0 0 287.144 3.359 10 0 CGAERN Fc1ccc2c(c1F)N(Cc1ccccc1)CCN2 ZINC000575513814 377916681 /nfs/dbraw/zinc/91/66/81/377916681.db2.gz LDLVYDZTAOWIIY-UHFFFAOYSA-N 0 0 260.287 3.397 10 0 CGAERN CNc1ccc(NC(=O)OCc2ccccc2)cc1 ZINC000575565557 377917780 /nfs/dbraw/zinc/91/77/80/377917780.db2.gz CEEJITHVGIXWJR-UHFFFAOYSA-N 0 0 256.305 3.477 10 0 CGAERN Fc1cc(Br)c(Cl)c2c1NCC2 ZINC000575572124 377918672 /nfs/dbraw/zinc/91/86/72/377918672.db2.gz YVXCAIDKYDMOOC-UHFFFAOYSA-N 0 0 250.498 3.210 10 0 CGAERN CCOc1cc(C#N)c(C(F)(F)F)cc1C(C)=O ZINC000575642547 377926619 /nfs/dbraw/zinc/92/66/19/377926619.db2.gz CXVYZOOJGFSHCY-UHFFFAOYSA-N 0 0 257.211 3.178 10 0 CGAERN CCOc1cc(Br)c(OC)cc1OCC ZINC000575681506 377955631 /nfs/dbraw/zinc/95/56/31/377955631.db2.gz YKYJGVIMTBIOCD-UHFFFAOYSA-N 0 0 275.142 3.255 10 0 CGAERN O=Cc1cc(Br)c(F)cc1OC(F)F ZINC000575681136 377955689 /nfs/dbraw/zinc/95/56/89/377955689.db2.gz YQEIPFBMVBBUKU-UHFFFAOYSA-N 0 0 269.016 3.002 10 0 CGAERN CCOc1ccc(C#N)c(OCC)c1OC(F)(F)F ZINC000575648512 377927084 /nfs/dbraw/zinc/92/70/84/377927084.db2.gz FDGNUXQUGFGTGT-UHFFFAOYSA-N 0 0 275.226 3.254 10 0 CGAERN COc1c(OC(F)F)cc([N+](=O)[O-])cc1C(F)F ZINC000575651744 377929664 /nfs/dbraw/zinc/92/96/64/377929664.db2.gz BEVMVJDUBWMXCP-UHFFFAOYSA-N 0 0 269.150 3.142 10 0 CGAERN COc1cc(OC)c(C(F)(F)F)c(OC(F)F)c1 ZINC000575652825 377930643 /nfs/dbraw/zinc/93/06/43/377930643.db2.gz LOYVRXKLAFKCID-UHFFFAOYSA-N 0 0 272.169 3.324 10 0 CGAERN CCOc1c(CO)cc(OC(F)F)cc1C(F)(F)F ZINC000575653986 377931540 /nfs/dbraw/zinc/93/15/40/377931540.db2.gz JFDVRCDDGDHVOL-UHFFFAOYSA-N 0 0 286.196 3.198 10 0 CGAERN CCc1cc(C(F)(F)F)c(CO)cc1OC(F)F ZINC000575653597 377931580 /nfs/dbraw/zinc/93/15/80/377931580.db2.gz HQFXDJDSXBVQEO-UHFFFAOYSA-N 0 0 270.197 3.362 10 0 CGAERN CCOc1cc(O)c(OC(F)F)c(C(F)(F)F)c1 ZINC000575655248 377933001 /nfs/dbraw/zinc/93/30/01/377933001.db2.gz WCVOBHXLFZGLOS-UHFFFAOYSA-N 0 0 272.169 3.411 10 0 CGAERN CCOc1c(CC)ccc(C(C)=O)c1OC(F)F ZINC000575656471 377933866 /nfs/dbraw/zinc/93/38/66/377933866.db2.gz SQBYWVOZAMGLBT-UHFFFAOYSA-N 0 0 258.264 3.452 10 0 CGAERN CCc1c(O)c(OC(F)(F)F)ccc1OC(F)F ZINC000575658727 377934725 /nfs/dbraw/zinc/93/47/25/377934725.db2.gz RSXQIVDVZXYDRR-UHFFFAOYSA-N 0 0 272.169 3.455 10 0 CGAERN COc1cc(OC(F)F)c(F)c(C(F)(F)F)c1 ZINC000575660593 377937144 /nfs/dbraw/zinc/93/71/44/377937144.db2.gz UCCHVAADTCKCBT-UHFFFAOYSA-N 0 0 260.133 3.455 10 0 CGAERN Oc1cc(OC(F)(F)F)cc(OC(F)F)c1F ZINC000575660582 377937350 /nfs/dbraw/zinc/93/73/50/377937350.db2.gz SUPWFOPDHBAVSP-UHFFFAOYSA-N 0 0 262.105 3.031 10 0 CGAERN COc1c(OC(F)F)ccc(C=O)c1OC(F)(F)F ZINC000575663913 377938126 /nfs/dbraw/zinc/93/81/26/377938126.db2.gz DOUQGUKBHLUSMB-UHFFFAOYSA-N 0 0 286.152 3.008 10 0 CGAERN CC(=O)c1cc(C=O)c(OC(F)F)c(C(F)(F)F)c1 ZINC000575661561 377938174 /nfs/dbraw/zinc/93/81/74/377938174.db2.gz MVKLHJANMDFYKV-UHFFFAOYSA-N 0 0 282.164 3.322 10 0 CGAERN Cc1cc(C=O)c(OC(F)F)cc1OC(F)(F)F ZINC000575664035 377939492 /nfs/dbraw/zinc/93/94/92/377939492.db2.gz AWFVAJNINGWHHV-UHFFFAOYSA-N 0 0 270.153 3.308 10 0 CGAERN Cc1cc(CO)c(OC(F)F)cc1C(F)(F)F ZINC000575664377 377939768 /nfs/dbraw/zinc/93/97/68/377939768.db2.gz FXMORCSUCDFNDV-UHFFFAOYSA-N 0 0 256.170 3.108 10 0 CGAERN COc1c(O)c(C(F)(F)F)ccc1OC(F)F ZINC000575664947 377941269 /nfs/dbraw/zinc/94/12/69/377941269.db2.gz MKBDXHOHOLEYOS-UHFFFAOYSA-N 0 0 258.142 3.021 10 0 CGAERN Cc1cc(OC(F)F)c(C=O)c(OC(F)(F)F)c1 ZINC000575665072 377942055 /nfs/dbraw/zinc/94/20/55/377942055.db2.gz OBDGKMWELAHNDK-UHFFFAOYSA-N 0 0 270.153 3.308 10 0 CGAERN COc1c(O)cc(C(F)(F)F)cc1OC(F)F ZINC000575665760 377943396 /nfs/dbraw/zinc/94/33/96/377943396.db2.gz TXYJGEYRCCAUKJ-UHFFFAOYSA-N 0 0 258.142 3.021 10 0 CGAERN CCOc1cc(CO)c(C(F)F)cc1OC(F)(F)F ZINC000575667043 377944402 /nfs/dbraw/zinc/94/44/02/377944402.db2.gz MCJRWMWDERTPHX-UHFFFAOYSA-N 0 0 286.196 3.414 10 0 CGAERN Cc1cc(O)c(OC(F)F)cc1Br ZINC000575682796 377956910 /nfs/dbraw/zinc/95/69/10/377956910.db2.gz CGLHSGHHHNGVLL-UHFFFAOYSA-N 0 0 253.042 3.065 10 0 CGAERN O=Cc1ccc(Br)c(F)c1C(F)F ZINC000575683138 377956943 /nfs/dbraw/zinc/95/69/43/377956943.db2.gz AXKPKYHQWKWBIZ-UHFFFAOYSA-N 0 0 253.017 3.338 10 0 CGAERN Cc1cc(I)cc(CO)c1C(F)F ZINC000575671075 377947195 /nfs/dbraw/zinc/94/71/95/377947195.db2.gz LZENSDGQKHQKGX-UHFFFAOYSA-N 0 0 298.070 3.030 10 0 CGAERN Cc1cc(O)c(Br)c(OC(F)F)c1 ZINC000575683185 377957042 /nfs/dbraw/zinc/95/70/42/377957042.db2.gz LPBBLVXIFLZVRQ-UHFFFAOYSA-N 0 0 253.042 3.065 10 0 CGAERN NC(=O)c1cc(Br)cc(C(F)F)c1Cl ZINC000575677515 377952038 /nfs/dbraw/zinc/95/20/38/377952038.db2.gz TVFJXFJYCRRPRK-UHFFFAOYSA-N 0 0 284.487 3.139 10 0 CGAERN OCc1c(Cl)cc(Br)cc1OC(F)F ZINC000575678849 377952462 /nfs/dbraw/zinc/95/24/62/377952462.db2.gz WKXBNASRJJQRDW-UHFFFAOYSA-N 0 0 287.487 3.196 10 0 CGAERN Oc1c(Cl)c(OC(F)F)ccc1OC(F)F ZINC000575678537 377953091 /nfs/dbraw/zinc/95/30/91/377953091.db2.gz ZCVVRGZWTLTSSE-UHFFFAOYSA-N 0 0 260.570 3.248 10 0 CGAERN O=Cc1ccc(OC(F)F)c(F)c1Br ZINC000575680427 377954614 /nfs/dbraw/zinc/95/46/14/377954614.db2.gz KVHDXUKWMPIFLI-UHFFFAOYSA-N 0 0 269.016 3.002 10 0 CGAERN O=C(c1sccc1Br)[C@@H]1CC12CC2 ZINC000575486338 377914937 /nfs/dbraw/zinc/91/49/37/377914937.db2.gz GHPDYPULDJRZCR-LURJTMIESA-N 0 0 257.152 3.493 10 0 CGAERN O=C(c1cscc1Br)[C@@H]1CC12CC2 ZINC000575486950 377914976 /nfs/dbraw/zinc/91/49/76/377914976.db2.gz JRJZPQVZGHKGGT-ZETCQYMHSA-N 0 0 257.152 3.493 10 0 CGAERN CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(N)=S ZINC000575523089 377916048 /nfs/dbraw/zinc/91/60/48/377916048.db2.gz GDHKVNPOMFUHLX-UHFFFAOYSA-N 0 0 286.784 3.321 10 0 CGAERN C[C@H](NC(=O)NCCC1=CCCCCC1)[C@@H]1CCCO1 ZINC000183785827 542233201 /nfs/dbraw/zinc/23/32/01/542233201.db2.gz BHARPHGJVKPMPD-ZFWWWQNUSA-N 0 0 280.412 3.134 10 0 CGAERN COc1c(C)ccc(OC(F)F)c1Br ZINC000575683352 377957923 /nfs/dbraw/zinc/95/79/23/377957923.db2.gz MVAAFHBEBDPCOL-UHFFFAOYSA-N 0 0 267.069 3.368 10 0 CGAERN COc1c(Br)ccc(C(F)F)c1C=O ZINC000575684160 377959196 /nfs/dbraw/zinc/95/91/96/377959196.db2.gz FZHYCOAFBWGGII-UHFFFAOYSA-N 0 0 265.053 3.208 10 0 CGAERN Cc1ccc(Br)c(OC(F)F)c1O ZINC000575684442 377959212 /nfs/dbraw/zinc/95/92/12/377959212.db2.gz VNAXXWDGIYIUTN-UHFFFAOYSA-N 0 0 253.042 3.065 10 0 CGAERN COc1cc(C(F)F)cc(C=O)c1Br ZINC000575686774 377961878 /nfs/dbraw/zinc/96/18/78/377961878.db2.gz QJYMFLRHBKFALK-UHFFFAOYSA-N 0 0 265.053 3.208 10 0 CGAERN COc1cc(C(F)(F)F)cc(Br)c1OC ZINC000575686871 377961929 /nfs/dbraw/zinc/96/19/29/377961929.db2.gz PXCQZZJXOOQDNV-UHFFFAOYSA-N 0 0 285.059 3.485 10 0 CGAERN O=Cc1c(F)ccc(OC(F)(F)F)c1Br ZINC000575689557 377963939 /nfs/dbraw/zinc/96/39/39/377963939.db2.gz RVHQARXVWOQNQJ-UHFFFAOYSA-N 0 0 287.006 3.299 10 0 CGAERN CCOC(=O)c1cc(O)cc(C(F)(F)F)c1Cl ZINC000575701093 377973342 /nfs/dbraw/zinc/97/33/42/377973342.db2.gz SLIRSNCTFOXOIH-UHFFFAOYSA-N 0 0 268.618 3.241 10 0 CGAERN CCOC(=O)c1cc(OC)cc(Br)c1CC ZINC000575700914 377973350 /nfs/dbraw/zinc/97/33/50/377973350.db2.gz YGHPXDCWLLFZMZ-UHFFFAOYSA-N 0 0 287.153 3.197 10 0 CGAERN CCOC(=O)c1cc(C)c(C(F)(F)F)cc1F ZINC000575701729 377974629 /nfs/dbraw/zinc/97/46/29/377974629.db2.gz CDNQETNTCVEHAE-UHFFFAOYSA-N 0 0 250.191 3.330 10 0 CGAERN CCOC(=O)Cc1cc(CC)cc(Cl)c1OCC ZINC000575701259 377974788 /nfs/dbraw/zinc/97/47/88/377974788.db2.gz YIAXQKCLKYMZBT-UHFFFAOYSA-N 0 0 270.756 3.407 10 0 CGAERN CCOC(=O)c1cc(F)c(C(F)(F)F)cc1C ZINC000575703694 377976950 /nfs/dbraw/zinc/97/69/50/377976950.db2.gz YLQJDQIHNCKWIE-UHFFFAOYSA-N 0 0 250.191 3.330 10 0 CGAERN CSc1cc(C)c(F)cc1I ZINC000575705917 377978135 /nfs/dbraw/zinc/97/81/35/377978135.db2.gz SBHGPFADGRSECN-UHFFFAOYSA-N 0 0 282.121 3.461 10 0 CGAERN COc1c(I)ccc(SC)c1C ZINC000575708458 377979110 /nfs/dbraw/zinc/97/91/10/377979110.db2.gz KUTBUSBHHPUDLN-UHFFFAOYSA-N 0 0 294.157 3.330 10 0 CGAERN CCc1cc(CC(=O)OC)c(Cl)cc1Br ZINC000575710843 377980119 /nfs/dbraw/zinc/98/01/19/377980119.db2.gz OVDFCOUZNANCAK-UHFFFAOYSA-N 0 0 291.572 3.380 10 0 CGAERN COC(=O)Cc1cc(F)cc(Cl)c1C(F)F ZINC000575712160 377981386 /nfs/dbraw/zinc/98/13/86/377981386.db2.gz DMRPAJWSLRRKJP-UHFFFAOYSA-N 0 0 252.619 3.132 10 0 CGAERN COC(=O)Cc1cc(Cl)c(OC)cc1C(F)F ZINC000575712489 377981436 /nfs/dbraw/zinc/98/14/36/377981436.db2.gz HVNKRPOAMUETQO-UHFFFAOYSA-N 0 0 264.655 3.002 10 0 CGAERN COC(=O)c1c(Cl)cc(OC)cc1C(F)F ZINC000575712548 377981561 /nfs/dbraw/zinc/98/15/61/377981561.db2.gz JOYCKFRXNUOXRB-UHFFFAOYSA-N 0 0 250.628 3.073 10 0 CGAERN COC(=O)Cc1cc(C(F)(F)F)c(Cl)cc1C ZINC000575713219 377982257 /nfs/dbraw/zinc/98/22/57/377982257.db2.gz RSMBRUAJAQAECM-UHFFFAOYSA-N 0 0 266.646 3.383 10 0 CGAERN CC(=O)c1cc(N)cc(OC(F)F)c1C(F)(F)F ZINC000575716505 377982802 /nfs/dbraw/zinc/98/28/02/377982802.db2.gz DJEVDZGZVHUVTR-UHFFFAOYSA-N 0 0 269.169 3.092 10 0 CGAERN CCOC(=O)c1ccc(N)c(C(F)(F)F)c1OC(F)F ZINC000575724076 377983159 /nfs/dbraw/zinc/98/31/59/377983159.db2.gz RVBUBICLFUDEGI-UHFFFAOYSA-N 0 0 299.195 3.066 10 0 CGAERN CCOc1c(N)cc(Br)cc1OC(F)F ZINC000575723578 377983549 /nfs/dbraw/zinc/98/35/49/377983549.db2.gz XYXGFNBUAYFNPZ-UHFFFAOYSA-N 0 0 282.084 3.031 10 0 CGAERN CCOC(=O)c1cc(N)cc(OC(F)F)c1C(F)(F)F ZINC000575724153 377983577 /nfs/dbraw/zinc/98/35/77/377983577.db2.gz WMXYSKYRHSMZNT-UHFFFAOYSA-N 0 0 299.195 3.066 10 0 CGAERN Nc1ccc(Br)c(Cl)c1OC(F)F ZINC000575719907 377983638 /nfs/dbraw/zinc/98/36/38/377983638.db2.gz OQEPWYFKXQNJGM-UHFFFAOYSA-N 0 0 272.476 3.286 10 0 CGAERN Nc1cc(Cl)c(OC(F)F)c(Br)c1 ZINC000575720279 377983651 /nfs/dbraw/zinc/98/36/51/377983651.db2.gz TZUKTSQZMHMSGP-UHFFFAOYSA-N 0 0 272.476 3.286 10 0 CGAERN CCOC(=O)c1c(N)c(C(F)(F)F)ccc1CC ZINC000575724499 377983811 /nfs/dbraw/zinc/98/38/11/377983811.db2.gz LHXJPJAKSYGUAO-UHFFFAOYSA-N 0 0 261.243 3.027 10 0 CGAERN CCOC(=O)c1c(N)cc(OC(F)F)cc1C(F)(F)F ZINC000575724020 377983818 /nfs/dbraw/zinc/98/38/18/377983818.db2.gz PDVYUDLYCPIMAP-UHFFFAOYSA-N 0 0 299.195 3.066 10 0 CGAERN CCOc1cc(Br)cc(N)c1Cl ZINC000575720550 377983829 /nfs/dbraw/zinc/98/38/29/377983829.db2.gz YUWIQHAXDKOECU-UHFFFAOYSA-N 0 0 250.523 3.083 10 0 CGAERN COc1cc(C(F)(F)F)cc(CO)c1OC(F)(F)F ZINC000575730870 377984756 /nfs/dbraw/zinc/98/47/56/377984756.db2.gz UKOOYWWNLNGDHA-UHFFFAOYSA-N 0 0 290.159 3.105 10 0 CGAERN CC(C)(C)[C@H](O)CNC(=O)c1cc2ccccc2s1 ZINC000268747679 378101340 /nfs/dbraw/zinc/10/13/40/378101340.db2.gz RTMKFZHKROOHHJ-CYBMUJFWSA-N 0 0 277.389 3.038 10 0 CGAERN CCOC=Cc1c(C)nc(C)cc1NC(=O)C(C)(C)C ZINC000584648451 378396213 /nfs/dbraw/zinc/39/62/13/378396213.db2.gz HNWCNCKKMQGDJE-CMDGGOBGSA-N 0 0 276.380 3.112 10 0 CGAERN Cc1ccc(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1 ZINC000584647836 378396229 /nfs/dbraw/zinc/39/62/29/378396229.db2.gz LNBYNXCZQCLVBK-ZDUSSCGKSA-N 0 0 276.380 3.190 10 0 CGAERN O=C(c1ccc(Br)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000349348409 379242690 /nfs/dbraw/zinc/24/26/90/379242690.db2.gz MUTGBGCPMAVPKI-PWSUYJOCSA-N 0 0 280.165 3.074 10 0 CGAERN Cc1ccc(Cl)c(NC(=O)N2CCC[C@@H](O)[C@@H]2C)c1C ZINC000334557226 206710880 /nfs/dbraw/zinc/71/08/80/206710880.db2.gz NGCYANIBKJQINU-WCQYABFASA-N 0 0 296.798 3.334 10 0 CGAERN O=C(c1ccc(Br)o1)N1C[C@H]2CCCCC[C@@H]21 ZINC000374202081 379393079 /nfs/dbraw/zinc/39/30/79/379393079.db2.gz YTYLDFBFTCSZJH-ZJUUUORDSA-N 0 0 298.180 3.447 10 0 CGAERN O=C(c1ocnc1C1CC1)N1CC[C@@H]1c1ccccc1F ZINC000377697717 379726172 /nfs/dbraw/zinc/72/61/72/379726172.db2.gz OUAMVHRYSLXWFH-CYBMUJFWSA-N 0 0 286.306 3.278 10 0 CGAERN O=C(c1cccc(Cl)n1)N1C[C@H]2CCCCC[C@@H]21 ZINC000378071417 379770625 /nfs/dbraw/zinc/77/06/25/379770625.db2.gz CALIIDDWMRVGBG-PWSUYJOCSA-N 0 0 264.756 3.140 10 0 CGAERN Cc1cc(Br)cc(C)c1NCCC1(O)CC1 ZINC000381364052 379866781 /nfs/dbraw/zinc/86/67/81/379866781.db2.gz GHMWHRUXLFXWOG-UHFFFAOYSA-N 0 0 284.197 3.393 10 0 CGAERN C[C@H]1C[C@@H](O)CN(Cc2c(Cl)cccc2Cl)C1 ZINC000401591386 379956550 /nfs/dbraw/zinc/95/65/50/379956550.db2.gz RNZIRWJYKHSCQQ-VHSXEESVSA-N 0 0 274.191 3.196 10 0 CGAERN CCCc1sc(C(=O)N2C[C@@H](C)C[C@H](O)C2)cc1CC ZINC000401970542 379960608 /nfs/dbraw/zinc/96/06/08/379960608.db2.gz ZBNYYGYEOHZUBX-AAEUAGOBSA-N 0 0 295.448 3.106 10 0 CGAERN Cc1cc2cccnc2c(NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c1 ZINC000407958787 379988212 /nfs/dbraw/zinc/98/82/12/379988212.db2.gz SUBVFZUYKGZIGT-HWWQOWPSSA-N 0 0 284.359 3.295 10 0 CGAERN Cc1noc([C@H]2CCCN(C(=O)C[C@H](C)C(C)(C)C)C2)n1 ZINC000408108078 379994421 /nfs/dbraw/zinc/99/44/21/379994421.db2.gz RUOHSVQESDGODG-AAEUAGOBSA-N 0 0 293.411 3.156 10 0 CGAERN Cc1cc(NC(=O)N[C@@H]2CCO[C@@H]2C)cc(C)c1Cl ZINC000408429699 380010763 /nfs/dbraw/zinc/01/07/63/380010763.db2.gz ZCNNDQCPMJKLMI-ZYHUDNBSSA-N 0 0 282.771 3.256 10 0 CGAERN CC1(C)CCCCN(C(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC000408448487 380012266 /nfs/dbraw/zinc/01/22/66/380012266.db2.gz VUHNXFMIBAATEA-UHFFFAOYSA-N 0 0 287.363 3.322 10 0 CGAERN C[C@@H]1C[C@@H](O)CN(Cc2csc(-c3ccsc3)n2)C1 ZINC000334745628 207006093 /nfs/dbraw/zinc/00/60/93/207006093.db2.gz IFRJUPRZBQHROB-ZWNOBZJWSA-N 0 0 294.445 3.074 10 0 CGAERN COc1ccccc1[C@H]1O[C@H]1C(=O)c1ccccc1 ZINC000000152463 169555786 /nfs/dbraw/zinc/55/57/86/169555786.db2.gz GDSJIKXMXQGWCB-CVEARBPZSA-N 0 0 254.285 3.018 10 0 CGAERN COc1nc(Cl)nc(Oc2ccc(Cl)c(C)c2)n1 ZINC000000152942 169556311 /nfs/dbraw/zinc/55/63/11/169556311.db2.gz UEJMAJVXASFTQS-UHFFFAOYSA-N 0 0 286.118 3.288 10 0 CGAERN Cc1c(F)c(F)ccc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000334904795 207270887 /nfs/dbraw/zinc/27/08/87/207270887.db2.gz IWPSIIZPZDFECS-BXKDBHETSA-N 0 0 266.291 3.289 10 0 CGAERN O=C([O-])[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C1CCCC1 ZINC000225723205 542290713 /nfs/dbraw/zinc/29/07/13/542290713.db2.gz UASNKBPKCMOCFS-CVEARBPZSA-N 0 0 273.376 3.009 10 0 CGAERN CCc1nn2c(c1Br)NC[C@H](C)[C@H]2CC ZINC000233928740 542307131 /nfs/dbraw/zinc/30/71/31/542307131.db2.gz VMZNRFFOQGKXPR-IONNQARKSA-N 0 0 272.190 3.221 10 0 CGAERN CCCCc1nn2c(c1Br)N[C@H](C)CC2 ZINC000233026268 542307318 /nfs/dbraw/zinc/30/73/18/542307318.db2.gz BFLDOOCMEJGHJL-MRVPVSSYSA-N 0 0 272.190 3.192 10 0 CGAERN CCCc1nn2c(c1Br)N[C@@H](C)C[C@@H]2C ZINC000233388928 542307475 /nfs/dbraw/zinc/30/74/75/542307475.db2.gz NVZRGNNFMTVWHO-YUMQZZPRSA-N 0 0 272.190 3.363 10 0 CGAERN Cc1cccc(NC(=O)c2ccc3c[nH]nc3c2)c1 ZINC000060393072 184567853 /nfs/dbraw/zinc/56/78/53/184567853.db2.gz BFQARQZLFLWCDK-UHFFFAOYSA-N 0 0 251.289 3.124 10 0 CGAERN CCC(CC)C[N@H+](CC)Cc1ncccc1C(=O)[O-] ZINC000302467595 572517748 /nfs/dbraw/zinc/51/77/48/572517748.db2.gz ZCHJWUHVHNCZMC-UHFFFAOYSA-N 0 0 264.369 3.038 10 0 CGAERN Cc1cc(Cl)cnc1NC(=O)N1CCSCC[C@@H]1C ZINC000291514748 291909651 /nfs/dbraw/zinc/90/96/51/291909651.db2.gz OPWQMLJDEXDFNK-JTQLQIEISA-N 0 0 299.827 3.403 10 0 CGAERN CC(C)[C@@H]1OCC[C@@H]1CNc1ncc(Cl)s1 ZINC000309396274 542425070 /nfs/dbraw/zinc/42/50/70/542425070.db2.gz VJAUZSCKFDRELQ-SCZZXKLOSA-N 0 0 260.790 3.270 10 0 CGAERN CC(C)(C)[C@H](O)CNC(=O)c1cc2sccc2s1 ZINC000324435929 542443075 /nfs/dbraw/zinc/44/30/75/542443075.db2.gz CKQYBTWSCDWQAL-LLVKDONJSA-N 0 0 283.418 3.100 10 0 CGAERN CC(C)c1noc2ncc(C(=O)N3CC[C@@H]4CCC[C@H]43)cc21 ZINC000330334948 542451072 /nfs/dbraw/zinc/45/10/72/542451072.db2.gz YVVXSVYUGOCCRZ-SMDDNHRTSA-N 0 0 299.374 3.361 10 0 CGAERN CC[C@H](CC(C)C)c1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000333793611 542452976 /nfs/dbraw/zinc/45/29/76/542452976.db2.gz DWQAYKUCQMOTMD-HZSPNIEDSA-N 0 0 293.411 3.145 10 0 CGAERN CCC1CCC(NC(=O)c2cncnc2C2CC2)CC1 ZINC000333892957 542453524 /nfs/dbraw/zinc/45/35/24/542453524.db2.gz ZEVHFSVXJSMAHS-UHFFFAOYSA-N 0 0 273.380 3.053 10 0 CGAERN C[C@@H]1CC(CNc2ccc(Br)cn2)C[C@@H](C)O1 ZINC000281758847 195369313 /nfs/dbraw/zinc/36/93/13/195369313.db2.gz FNIRLMVXXUGZFR-NXEZZACHSA-N 0 0 299.212 3.460 10 0 CGAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000190274405 130082614 /nfs/dbraw/zinc/08/26/14/130082614.db2.gz PLJVOVGQNBETLP-JOYOIKCWSA-N 0 0 287.281 3.459 10 0 CGAERN CCCC(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000405488695 542625296 /nfs/dbraw/zinc/62/52/96/542625296.db2.gz FQZQYBICRZNJQI-CQSZACIVSA-N 0 0 255.358 3.145 10 0 CGAERN C[C@H](CC(=O)CC1CCC1)NC(=O)OC(C)(C)C ZINC000405607849 542626406 /nfs/dbraw/zinc/62/64/06/542626406.db2.gz OTYZGFIUGCVQAB-SNVBAGLBSA-N 0 0 255.358 3.049 10 0 CGAERN CCC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000405862715 542627171 /nfs/dbraw/zinc/62/71/71/542627171.db2.gz QFHRUXCIFRFKNQ-WDEREUQCSA-N 0 0 255.358 3.049 10 0 CGAERN CCC[C@H](C)CC(=O)CNC(=O)OCc1ccccc1 ZINC000406012354 542627375 /nfs/dbraw/zinc/62/73/75/542627375.db2.gz ILLWREJXWDHMAZ-ZDUSSCGKSA-N 0 0 277.364 3.308 10 0 CGAERN CCC(=O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000405862713 542627555 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/nfs/dbraw/zinc/11/10/52/171111052.db2.gz GDXJZIGQNJKNNR-UHFFFAOYSA-N 0 0 275.274 3.208 10 0 CGAERN CC(C)NC(=O)[C@H](C)Nc1cc(Cl)ccc1Cl ZINC000020304665 171141254 /nfs/dbraw/zinc/14/12/54/171141254.db2.gz UIWYLXLLVCJAMY-QMMMGPOBSA-N 0 0 275.179 3.318 10 0 CGAERN CCc1cccc(OCC(=O)Nc2ccc(C)cc2N)c1 ZINC000020344548 171153824 /nfs/dbraw/zinc/15/38/24/171153824.db2.gz WFVICHHLUBLMAW-UHFFFAOYSA-N 0 0 284.359 3.157 10 0 CGAERN Nc1cc(F)ccc1NC(=O)COc1ccccc1Cl ZINC000020344490 171153902 /nfs/dbraw/zinc/15/39/02/171153902.db2.gz IQEDCFSTOUSHJS-UHFFFAOYSA-N 0 0 294.713 3.079 10 0 CGAERN C[C@H](Nc1ccccc1Br)C(=O)NC(C)(C)C ZINC000020358927 171158106 /nfs/dbraw/zinc/15/81/06/171158106.db2.gz TWFAGVXARJNRTB-VIFPVBQESA-N 0 0 299.212 3.164 10 0 CGAERN CCCNC(=O)[C@H](C)Nc1cccc(Cl)c1Cl ZINC000020359417 171158403 /nfs/dbraw/zinc/15/84/03/171158403.db2.gz CWZAZYMLNSHEPZ-QMMMGPOBSA-N 0 0 275.179 3.320 10 0 CGAERN CC(C)[C@H](C)NC(=O)c1ccc(F)cc1Br ZINC000020361959 171161112 /nfs/dbraw/zinc/16/11/12/171161112.db2.gz MRFHLNSYSAYTFL-QMMMGPOBSA-N 0 0 288.160 3.363 10 0 CGAERN Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1O ZINC000020363184 171162254 /nfs/dbraw/zinc/16/22/54/171162254.db2.gz RDRSLBWTYBYRAL-UHFFFAOYSA-N 0 0 263.243 3.231 10 0 CGAERN COc1cccc(C(=O)Nc2cccc(Cl)c2F)c1O ZINC000020363105 171162342 /nfs/dbraw/zinc/16/23/42/171162342.db2.gz LGTQECBUEOMLIC-UHFFFAOYSA-N 0 0 295.697 3.446 10 0 CGAERN COc1cc(CO)cc(Cl)c1OCC=C(C)C ZINC000020377523 171172069 /nfs/dbraw/zinc/17/20/69/171172069.db2.gz WZAQEVWQQLEOEE-UHFFFAOYSA-N 0 0 256.729 3.186 10 0 CGAERN Nc1ccc(NCc2cccc(C(F)(F)F)c2)cn1 ZINC000020382591 171173237 /nfs/dbraw/zinc/17/32/37/171173237.db2.gz VRZFSZQDIFFIAM-UHFFFAOYSA-N 0 0 267.254 3.295 10 0 CGAERN CCCN(CCC)c1nc2ccccc2cc1CO ZINC000020468020 171210035 /nfs/dbraw/zinc/21/00/35/171210035.db2.gz CWLZQMXMKFQWLT-UHFFFAOYSA-N 0 0 258.365 3.354 10 0 CGAERN OCc1cccc2c1ccn2Cc1ccccc1F ZINC000020495216 171226715 /nfs/dbraw/zinc/22/67/15/171226715.db2.gz 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JSNZAFBNKQOAGR-UHFFFAOYSA-N 0 0 270.353 3.403 10 0 CGAERN CC(=O)Nc1ccc(C(=O)c2ccc(C)s2)cc1 ZINC000035368666 172160428 /nfs/dbraw/zinc/16/04/28/172160428.db2.gz LULQWGYJUYHOFB-UHFFFAOYSA-N 0 0 259.330 3.246 10 0 CGAERN O=C(c1ccoc1)c1cc2c(cc1Cl)OCCCO2 ZINC000035369570 172161248 /nfs/dbraw/zinc/16/12/48/172161248.db2.gz BRVLKTNIEXDJIR-UHFFFAOYSA-N 0 0 278.691 3.325 10 0 CGAERN COc1cc(Cl)c(C(=O)c2occc2C)cc1OC ZINC000035369597 172161351 /nfs/dbraw/zinc/16/13/51/172161351.db2.gz BQKQWKGSUGMUDV-UHFFFAOYSA-N 0 0 280.707 3.490 10 0 CGAERN Cc1ccsc1C(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035379471 172162228 /nfs/dbraw/zinc/16/22/28/172162228.db2.gz JOLMBAXKLGQQKD-UHFFFAOYSA-N 0 0 291.759 3.436 10 0 CGAERN Cc1ccoc1[C@H](N)c1cc2c(cc1Cl)OCCO2 ZINC000035382011 172164745 /nfs/dbraw/zinc/16/47/45/172164745.db2.gz NEUXMQPDLWNKRP-CYBMUJFWSA-N 0 0 279.723 3.061 10 0 CGAERN CN[C@@H](c1occc1C)c1c(F)cc(F)cc1F ZINC000035469390 172219553 /nfs/dbraw/zinc/21/95/53/172219553.db2.gz YTBVCRQTUNXJPZ-GFCCVEGCSA-N 0 0 255.239 3.314 10 0 CGAERN CN[C@H](c1occc1C)c1c(F)cc(F)cc1F ZINC000035469391 172219650 /nfs/dbraw/zinc/21/96/50/172219650.db2.gz YTBVCRQTUNXJPZ-LBPRGKRZSA-N 0 0 255.239 3.314 10 0 CGAERN CC[C@@H](C)Nc1ccc(-c2nc(-c3ccccc3)no2)nn1 ZINC000035479139 172221664 /nfs/dbraw/zinc/22/16/64/172221664.db2.gz WVQYSCXGZFOFGM-LLVKDONJSA-N 0 0 295.346 3.404 10 0 CGAERN Clc1ccccc1-c1nc(-c2cccnc2)n[nH]1 ZINC000035551796 172258882 /nfs/dbraw/zinc/25/88/82/172258882.db2.gz KKYGYDQPCWEZAU-UHFFFAOYSA-N 0 0 256.696 3.187 10 0 CGAERN Brc1cnc(Oc2ccccc2)cn1 ZINC000035635812 172320397 /nfs/dbraw/zinc/32/03/97/172320397.db2.gz APZCCTWVBMVYJN-UHFFFAOYSA-N 0 0 251.083 3.031 10 0 CGAERN Cc1c(N)cccc1CS(=O)(=O)c1ccc(Cl)cc1 ZINC000035649014 172325334 /nfs/dbraw/zinc/32/53/34/172325334.db2.gz SFMAISDAVQRNNM-UHFFFAOYSA-N 0 0 295.791 3.205 10 0 CGAERN Cc1noc(COc2c(Cl)cc(Cl)cc2C=O)n1 ZINC000035662365 172340262 /nfs/dbraw/zinc/34/02/62/172340262.db2.gz PJWFRARANRWNTP-UHFFFAOYSA-N 0 0 287.102 3.076 10 0 CGAERN Cc1cc(Oc2cc(F)ccc2N)nc(C(C)C)n1 ZINC000035663834 172342713 /nfs/dbraw/zinc/34/27/13/172342713.db2.gz DJICJMRCGMOJJV-UHFFFAOYSA-N 0 0 261.300 3.422 10 0 CGAERN O=c1c2ccsc2[nH]c(=S)n1-c1c(F)cccc1F ZINC000035698078 172365372 /nfs/dbraw/zinc/36/53/72/172365372.db2.gz HNJNBBZSHGIUFY-UHFFFAOYSA-N 0 0 296.323 3.388 10 0 CGAERN CCCS(=O)(=O)c1ccc(N[C@H](C)C2CC2)cc1 ZINC000035733821 172385255 /nfs/dbraw/zinc/38/52/55/172385255.db2.gz ZCEXJAUKMZROHM-LLVKDONJSA-N 0 0 267.394 3.081 10 0 CGAERN C[C@H](NC(=O)c1ccc2c(c1)CCCN2)c1ccco1 ZINC000035738248 172391599 /nfs/dbraw/zinc/39/15/99/172391599.db2.gz SDROATZYFKXDNW-NSHDSACASA-N 0 0 270.332 3.129 10 0 CGAERN Cc1n[nH]c(C)c1C(=O)Nc1ccc(Br)cc1 ZINC000036165584 172482813 /nfs/dbraw/zinc/48/28/13/172482813.db2.gz AWQAZUKURDJBNB-UHFFFAOYSA-N 0 0 294.152 3.041 10 0 CGAERN Cc1cc2c(nc(Cl)nc2NC[C@@H]2CCCO2)s1 ZINC000036277587 172568671 /nfs/dbraw/zinc/56/86/71/172568671.db2.gz VCVODFGOIYOSQC-QMMMGPOBSA-N 0 0 283.784 3.244 10 0 CGAERN 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Cc1[nH]nc2c1[C@H](O)C[C@H](c1cccc(Cl)c1)C2 ZINC000072415165 176399634 /nfs/dbraw/zinc/39/96/34/176399634.db2.gz XGUQEHUBDAAISK-ZWNOBZJWSA-N 0 0 262.740 3.135 10 0 CGAERN c1ccc(Cc2nc3nccc(-c4ccccc4)n3n2)cc1 ZINC000072451379 176404810 /nfs/dbraw/zinc/40/48/10/176404810.db2.gz RLVOVGLRCQVUJV-UHFFFAOYSA-N 0 0 286.338 3.382 10 0 CGAERN C[C@@H]1CCCC[C@H]1n1c(=O)[nH]c2ccc(Cl)cc2c1=O ZINC000073658124 176483986 /nfs/dbraw/zinc/48/39/86/176483986.db2.gz VVRVLENWQSJSFL-NOZJJQNGSA-N 0 0 292.766 3.094 10 0 CGAERN CC(C)[C@@H](C)NC(=O)Cc1ccc(Br)s1 ZINC000074397914 176539145 /nfs/dbraw/zinc/53/91/45/176539145.db2.gz SCIAZXHDPFQXKC-MRVPVSSYSA-N 0 0 290.226 3.214 10 0 CGAERN CCC1CCC(NC(=O)N[C@@H](C)c2cn(C)nc2C)CC1 ZINC000075970463 176846807 /nfs/dbraw/zinc/84/68/07/176846807.db2.gz MRVFKXHBIGTYNJ-XGNXJENSSA-N 0 0 292.427 3.058 10 0 CGAERN Cc1cc(-c2noc([C@@H]3CC[C@@H](C)O3)n2)ccc1F ZINC000129204381 287326695 /nfs/dbraw/zinc/32/66/95/287326695.db2.gz WALOTRYAKWXSFG-SKDRFNHKSA-N 0 0 262.284 3.424 10 0 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/nfs/dbraw/zinc/93/07/40/345930740.db2.gz QKRKDEZUYYFKHU-KBPBESRZSA-N 0 0 270.417 3.022 10 0 CGAERN COC(=O)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000107707658 345935455 /nfs/dbraw/zinc/93/54/55/345935455.db2.gz JBZSIQNYDOBMFS-UHFFFAOYSA-N 0 0 267.284 3.205 10 0 CGAERN CN(C)c1nc(-c2ccccc2[O-])nc2cccc(F)c21 ZINC000115195316 345969492 /nfs/dbraw/zinc/96/94/92/345969492.db2.gz PZJGZBLYTUZXIW-UHFFFAOYSA-N 0 0 283.306 3.208 10 0 CGAERN COC(=O)c1ccc(N[C@@H](C)C2CCCC2)nc1C ZINC000124401566 346012163 /nfs/dbraw/zinc/01/21/63/346012163.db2.gz CIYAQKLIGRGNFH-JTQLQIEISA-N 0 0 262.353 3.167 10 0 CGAERN CC(C)[C@H](C)NC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000125738656 346019289 /nfs/dbraw/zinc/01/92/89/346019289.db2.gz PPSMWIQWTOLGQY-GXTWGEPZSA-N 0 0 252.402 3.395 10 0 CGAERN Nc1ccc(NC2CCCC2)cc1Br ZINC000129742764 346052247 /nfs/dbraw/zinc/05/22/47/346052247.db2.gz MADUYSJLNRZZSK-UHFFFAOYSA-N 0 0 255.159 3.386 10 0 CGAERN Cc1ccc([C@H](C)NC(=O)c2cc(C3CC3)n[nH]2)cc1F ZINC000176222978 232332574 /nfs/dbraw/zinc/33/25/74/232332574.db2.gz INYAYUMWNIYQRO-JTQLQIEISA-N 0 0 287.338 3.226 10 0 CGAERN CC[C@H]1CCNc2ccc(Br)cc2N1 ZINC000128080718 346037289 /nfs/dbraw/zinc/03/72/89/346037289.db2.gz FNTKZJFWLURGAG-VIFPVBQESA-N 0 0 255.159 3.455 10 0 CGAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)C1CC=CC1 ZINC000128358212 187365272 /nfs/dbraw/zinc/36/52/72/187365272.db2.gz SHICIVOQHUTJAY-CYBMUJFWSA-N 0 0 283.293 3.242 10 0 CGAERN COc1ccccc1C(C)(C)CC(=O)C(F)(F)F ZINC000140573664 346105149 /nfs/dbraw/zinc/10/51/49/346105149.db2.gz KUTSDQXCUSBQMZ-UHFFFAOYSA-N 0 0 260.255 3.494 10 0 CGAERN CN[C@H](C=C(C)C)c1ncccc1Br ZINC000133244210 346076487 /nfs/dbraw/zinc/07/64/87/346076487.db2.gz ZRQVAHMZTMGFKV-SNVBAGLBSA-N 0 0 255.159 3.071 10 0 CGAERN C[C@@H](c1ccc(Br)cc1)N1CC(C)C1 ZINC000133341413 346076958 /nfs/dbraw/zinc/07/69/58/346076958.db2.gz NAMKWFCHUDZLNE-JTQLQIEISA-N 0 0 254.171 3.462 10 0 CGAERN C[C@@H]1C(=O)c2cc(O)ccc2O[C@H]1c1ccccc1 ZINC000140601599 346105555 /nfs/dbraw/zinc/10/55/55/346105555.db2.gz 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/nfs/dbraw/zinc/16/92/78/346169278.db2.gz OEVGKTCTNJXDLC-UHFFFAOYSA-N 0 0 255.159 3.223 10 0 CGAERN CC[C@@H](C)CNc1cc(Br)nc(C)n1 ZINC000160680710 346171322 /nfs/dbraw/zinc/17/13/22/346171322.db2.gz FIKPJBUHXCARNY-SSDOTTSWSA-N 0 0 258.163 3.006 10 0 CGAERN CC[C@@H]1CCCCN1c1cc(Br)ncn1 ZINC000160552206 346171618 /nfs/dbraw/zinc/17/16/18/346171618.db2.gz FJEUPUCPERGVPL-SECBINFHSA-N 0 0 270.174 3.008 10 0 CGAERN Nc1nccc2c(Cl)cc(Br)cc12 ZINC000161137746 346174557 /nfs/dbraw/zinc/17/45/57/346174557.db2.gz ZPDXVYDGUTYQRN-UHFFFAOYSA-N 0 0 257.518 3.233 10 0 CGAERN CCc1ccc([C@H](C)CC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000154605414 346149991 /nfs/dbraw/zinc/14/99/91/346149991.db2.gz CVKPWOUEANHIKG-RBSFLKMASA-N 0 0 289.419 3.378 10 0 CGAERN CSCCCCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000156608325 346159608 /nfs/dbraw/zinc/15/96/08/346159608.db2.gz HGZWGGNKXQOJLJ-ZIAGYGMSSA-N 0 0 269.454 3.462 10 0 CGAERN O=C(Nc1nccs1)N1CCC[C@H]1c1ccco1 ZINC000172100430 346215177 /nfs/dbraw/zinc/21/51/77/346215177.db2.gz KBKCPDZILOYNHO-VIFPVBQESA-N 0 0 263.322 3.105 10 0 CGAERN CC1CCC(CNC(=O)C(C)(C)Br)CC1 ZINC000162780170 346179382 /nfs/dbraw/zinc/17/93/82/346179382.db2.gz ZLZJEJVDHVLJLL-UHFFFAOYSA-N 0 0 276.218 3.102 10 0 CGAERN C[C@H]1CCCCC[C@H]1NC(=O)C(C)(C)Br ZINC000162811306 346179844 /nfs/dbraw/zinc/17/98/44/346179844.db2.gz QQJKUWLKTSQIFG-VHSXEESVSA-N 0 0 276.218 3.245 10 0 CGAERN CC(C)c1nc(Cl)cc(=O)n1Cc1ccccc1 ZINC000166381693 346185910 /nfs/dbraw/zinc/18/59/10/346185910.db2.gz MLDCHHXXOKGQGU-UHFFFAOYSA-N 0 0 262.740 3.068 10 0 CGAERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)C(C)(C)Br)C1 ZINC000166639026 346186970 /nfs/dbraw/zinc/18/69/70/346186970.db2.gz GHOMYNJUXLTJOZ-BBBLOLIVSA-N 0 0 276.218 3.053 10 0 CGAERN O=C(c1ccoc1)c1cc(F)ccc1Br ZINC000168184340 346189724 /nfs/dbraw/zinc/18/97/24/346189724.db2.gz DGTZSZBTRMHBQH-UHFFFAOYSA-N 0 0 269.069 3.412 10 0 CGAERN COC(=O)[C@@](C)(c1cccc(F)c1)C1CCCC1 ZINC000168332216 346190368 /nfs/dbraw/zinc/19/03/68/346190368.db2.gz JGIPHTROZLAQPU-OAHLLOKOSA-N 0 0 250.313 3.447 10 0 CGAERN COC(=O)c1c(O)c2ccccc2n1-c1ccccc1 ZINC000168604543 346191341 /nfs/dbraw/zinc/19/13/41/346191341.db2.gz WIHCDHFIANBLMI-UHFFFAOYSA-N 0 0 267.284 3.123 10 0 CGAERN CS[C@@H](C)CNc1cc(Br)ccc1N ZINC000169034889 346192032 /nfs/dbraw/zinc/19/20/32/346192032.db2.gz PQMIGBHHGQGBSZ-ZETCQYMHSA-N 0 0 275.215 3.195 10 0 CGAERN C[C@@H](COCc1ccccc1)NC(=O)N1CCC[C@@H](C)C1 ZINC000173334040 346233944 /nfs/dbraw/zinc/23/39/44/346233944.db2.gz LFBZKCUNXDWBND-CABCVRRESA-N 0 0 290.407 3.033 10 0 CGAERN CC(=O)[C@H]1CCCCN1c1ncc(Cl)cc1Cl ZINC000104422718 136526274 /nfs/dbraw/zinc/52/62/74/136526274.db2.gz FXUULNVRPVUOTE-LLVKDONJSA-N 0 0 273.163 3.336 10 0 CGAERN OC[C@H]1CN(C2CCCCCCC2)[C@@H](c2ccccc2)O1 ZINC000196122563 346275222 /nfs/dbraw/zinc/27/52/22/346275222.db2.gz DLQUIEFCRDKOPR-QZTJIDSGSA-N 0 0 289.419 3.491 10 0 CGAERN C[Si](C)(C)c1cc(F)c(Br)cc1F ZINC000205347622 346282549 /nfs/dbraw/zinc/28/25/49/346282549.db2.gz VIYXTVOBDVJBIE-UHFFFAOYSA-N 0 0 265.173 3.273 10 0 CGAERN Cc1noc(C)c1-c1cc(C)c(=O)n(Cc2ccccc2)c1 ZINC000219294326 346294743 /nfs/dbraw/zinc/29/47/43/346294743.db2.gz RLSVWFDSUXAWBE-UHFFFAOYSA-N 0 0 294.354 3.477 10 0 CGAERN C[C@@H](Br)C(=O)Nc1cnc(Cl)cc1Cl ZINC000221286937 346297408 /nfs/dbraw/zinc/29/74/08/346297408.db2.gz HZMAGBCHJVZPAV-SCSAIBSYSA-N 0 0 297.967 3.110 10 0 CGAERN Nc1ccc(Br)c(C(=O)CC2CC2)c1 ZINC000226805167 346307354 /nfs/dbraw/zinc/30/73/54/346307354.db2.gz VKCRNNHXWZZQQA-UHFFFAOYSA-N 0 0 254.127 3.014 10 0 CGAERN COc1cccc(-c2nc3[nH]ccc3c(Cl)n2)c1 ZINC000222497456 346299398 /nfs/dbraw/zinc/29/93/98/346299398.db2.gz OSNCUPOATRAVLI-UHFFFAOYSA-N 0 0 259.696 3.287 10 0 CGAERN Brc1ccc2ccn(CC3CCOCC3)c2n1 ZINC000225963851 346305594 /nfs/dbraw/zinc/30/55/94/346305594.db2.gz JAKNDOYOJRQPSD-UHFFFAOYSA-N 0 0 295.180 3.225 10 0 CGAERN CCC[C@@H](C)C(=O)Nc1cccnc1Br ZINC000226675610 346306988 /nfs/dbraw/zinc/30/69/88/346306988.db2.gz 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CCOCCc1noc(N)c1-c1c(F)cccc1Cl ZINC000037349937 173144734 /nfs/dbraw/zinc/14/47/34/173144734.db2.gz JRSQZFWKEZXCOJ-UHFFFAOYSA-N 0 0 284.718 3.295 10 0 CGAERN CC1CCC(n2c(N)cc3ccccc3c2=O)CC1 ZINC000037365425 173154652 /nfs/dbraw/zinc/15/46/52/173154652.db2.gz GKYDFRSNKMBIEY-UHFFFAOYSA-N 0 0 256.349 3.335 10 0 CGAERN CC(C)(C)OC(=O)CNc1cccc(Br)c1 ZINC000037390625 173173618 /nfs/dbraw/zinc/17/36/18/173173618.db2.gz DOAVBYRSEIPGEZ-UHFFFAOYSA-N 0 0 286.169 3.203 10 0 CGAERN CC(C)(C)OC(=O)CNc1cc(Cl)ccc1F ZINC000037394325 173174520 /nfs/dbraw/zinc/17/45/20/173174520.db2.gz GZBREWFNBNUVFH-UHFFFAOYSA-N 0 0 259.708 3.233 10 0 CGAERN Nc1cc(COc2ccc3c(c2)OCO3)ccc1Cl ZINC000037402832 173178649 /nfs/dbraw/zinc/17/86/49/173178649.db2.gz OOGDSKPKTXFDFW-UHFFFAOYSA-N 0 0 277.707 3.230 10 0 CGAERN O=C([O-])CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037417925 173195598 /nfs/dbraw/zinc/19/55/98/173195598.db2.gz RNOSCXFSYVTKLB-LLVKDONJSA-N 0 0 285.796 3.331 10 0 CGAERN COc1ccc(Nc2cccc(F)c2N)cc1F ZINC000037419617 173196766 /nfs/dbraw/zinc/19/67/66/173196766.db2.gz WUJDJIPEGZXVKD-UHFFFAOYSA-N 0 0 250.248 3.299 10 0 CGAERN C[C@@H](Nc1ccn(C)n1)c1ccc(F)c(Br)c1 ZINC000037560792 173271326 /nfs/dbraw/zinc/27/13/26/173271326.db2.gz DYDSCELRLMHVMP-MRVPVSSYSA-N 0 0 298.159 3.495 10 0 CGAERN CC(=O)Nc1cc(N[C@H](C)C2(C)CC2)ccc1F ZINC000037768537 173698825 /nfs/dbraw/zinc/69/88/25/173698825.db2.gz XXCLUCQGYFVYGN-SECBINFHSA-N 0 0 250.317 3.385 10 0 CGAERN COc1cc(F)c(C(=O)c2ccc(F)cc2)c(F)c1 ZINC000037903048 173833945 /nfs/dbraw/zinc/83/39/45/173833945.db2.gz HUYWYQACPBHQNZ-UHFFFAOYSA-N 0 0 266.218 3.344 10 0 CGAERN CC[C@@H]1CCCN1CC(=O)c1ccc(F)cc1F ZINC000037914485 173848180 /nfs/dbraw/zinc/84/81/80/173848180.db2.gz KIIDSFAJEYLAND-LLVKDONJSA-N 0 0 253.292 3.022 10 0 CGAERN CCOC(=O)[C@H](Nc1ccccc1)[C@@H]1CC=CCC1 ZINC000037954336 173896006 /nfs/dbraw/zinc/89/60/06/173896006.db2.gz GDLKYMRDUQVLEI-UKRRQHHQSA-N 0 0 259.349 3.387 10 0 CGAERN COC(=O)[C@](C)(NC1CCCCC1)c1ccc(F)c(F)c1 ZINC000037971888 173923987 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261.699 3.393 10 0 CGAERN CC(=O)N1CCC(C(=O)c2cc(C)c(Cl)c(C)c2)CC1 ZINC000575357883 377886483 /nfs/dbraw/zinc/88/64/83/377886483.db2.gz ZXYOXISDWZHQPP-UHFFFAOYSA-N 0 0 293.794 3.398 10 0 CGAERN CCC[C@H](C)C(=O)c1ccc(N2CCOCC2)cc1 ZINC000575358958 377887411 /nfs/dbraw/zinc/88/74/11/377887411.db2.gz ZLTJRQCRTOJGAR-ZDUSSCGKSA-N 0 0 261.365 3.142 10 0 CGAERN CCOC(=O)Cc1c(N)ccc(C(F)(F)F)c1Cl ZINC000575380325 377891099 /nfs/dbraw/zinc/89/10/99/377891099.db2.gz OPVASSNEFVWWRN-UHFFFAOYSA-N 0 0 281.661 3.047 10 0 CGAERN CCOC(=O)c1ccc(N)c(C(F)(F)F)c1Cl ZINC000575380057 377891441 /nfs/dbraw/zinc/89/14/41/377891441.db2.gz HAALFMQDVOKWQY-UHFFFAOYSA-N 0 0 267.634 3.118 10 0 CGAERN CCOC(=O)Cc1c(Cl)cc(N)cc1C(F)(F)F ZINC000575380314 377891562 /nfs/dbraw/zinc/89/15/62/377891562.db2.gz MMJYBBVHGHRXPV-UHFFFAOYSA-N 0 0 281.661 3.047 10 0 CGAERN Nc1cc(OC(F)F)cc(Cl)c1OC(F)(F)F ZINC000575384068 377894976 /nfs/dbraw/zinc/89/49/76/377894976.db2.gz MFWGLZHIWULQIT-UHFFFAOYSA-N 0 0 277.576 3.422 10 0 CGAERN C[C@H]1C[C@H]1CNc1ccccc1I ZINC000575539696 377916131 /nfs/dbraw/zinc/91/61/31/377916131.db2.gz ZOCUAMWEXNAALG-IUCAKERBSA-N 0 0 287.144 3.359 10 0 CGAERN C[C@H]1CN[C@H](c2ccsc2Br)SC1 ZINC000575541400 377917343 /nfs/dbraw/zinc/91/73/43/377917343.db2.gz GQYCOMFFDUWJFU-RCOVLWMOSA-N 0 0 278.240 3.482 10 0 CGAERN O=C(c1ccco1)c1ccsc1Br ZINC000575577403 377919279 /nfs/dbraw/zinc/91/92/79/377919279.db2.gz XLKCBGBBDQEWFK-UHFFFAOYSA-N 0 0 257.108 3.335 10 0 CGAERN Nc1c([N+](=O)[O-])ccc(C(F)(F)F)c1OC(F)(F)F ZINC000575638195 377924207 /nfs/dbraw/zinc/92/42/07/377924207.db2.gz MLZCMLUVRDTXEH-UHFFFAOYSA-N 0 0 290.119 3.094 10 0 CGAERN CCOc1cc(OC(F)(F)F)c(C#N)cc1C(C)=O ZINC000575643790 377926326 /nfs/dbraw/zinc/92/63/26/377926326.db2.gz UKJDRZHFBLRJJZ-UHFFFAOYSA-N 0 0 273.210 3.058 10 0 CGAERN CCOc1cc(C(F)(F)F)c(OCC)cc1C#N ZINC000575650119 377928166 /nfs/dbraw/zinc/92/81/66/377928166.db2.gz LVRYGODHXZPHFR-UHFFFAOYSA-N 0 0 259.227 3.374 10 0 CGAERN CCOc1cc(OC(F)F)cc(C(F)F)c1O ZINC000575652000 377929714 /nfs/dbraw/zinc/92/97/14/377929714.db2.gz IRZPSGSBNMJZCT-UHFFFAOYSA-N 0 0 254.179 3.330 10 0 CGAERN CCOc1ccc(Br)c(OC)c1OCC ZINC000575681430 377955789 /nfs/dbraw/zinc/95/57/89/377955789.db2.gz VHAWIXWRVQMOHI-UHFFFAOYSA-N 0 0 275.142 3.255 10 0 CGAERN CC(=O)c1cc(F)c(Br)cc1OC(F)F ZINC000575681065 377955902 /nfs/dbraw/zinc/95/59/02/377955902.db2.gz WCWXTBMHIPLFED-UHFFFAOYSA-N 0 0 283.043 3.392 10 0 CGAERN CCc1c(OC(F)F)ccc(C(F)(F)F)c1CO ZINC000575653333 377930566 /nfs/dbraw/zinc/93/05/66/377930566.db2.gz BPMSILXGROZXGY-UHFFFAOYSA-N 0 0 270.197 3.362 10 0 CGAERN CCOc1c(OC(F)F)ccc(O)c1OC(F)(F)F ZINC000575653796 377931683 /nfs/dbraw/zinc/93/16/83/377931683.db2.gz FVCQLZPCKURHIP-UHFFFAOYSA-N 0 0 288.168 3.291 10 0 CGAERN CCc1cc(CO)c(OC(F)F)cc1OC(F)(F)F ZINC000575658574 377934418 /nfs/dbraw/zinc/93/44/18/377934418.db2.gz QKBLNOBPPBSIJK-UHFFFAOYSA-N 0 0 286.196 3.241 10 0 CGAERN Oc1cc(F)c(OC(F)(F)F)c(OC(F)F)c1 ZINC000575660557 377937194 /nfs/dbraw/zinc/93/71/94/377937194.db2.gz RUQPVCRIVJOEQS-UHFFFAOYSA-N 0 0 262.105 3.031 10 0 CGAERN COc1cc(O)c(C(F)(F)F)c(OC(F)F)c1 ZINC000575664498 377939746 /nfs/dbraw/zinc/93/97/46/377939746.db2.gz HBODUNITAGKDNW-UHFFFAOYSA-N 0 0 258.142 3.021 10 0 CGAERN Cc1cc(C(F)(F)F)c(CO)cc1OC(F)F ZINC000575665543 377941899 /nfs/dbraw/zinc/94/18/99/377941899.db2.gz QECAEFVPJZMQAY-UHFFFAOYSA-N 0 0 256.170 3.108 10 0 CGAERN Cc1cc(OC(F)F)cc(OC(F)(F)F)c1C=O ZINC000575665814 377943168 /nfs/dbraw/zinc/94/31/68/377943168.db2.gz UPBBBJLPJQQHLZ-UHFFFAOYSA-N 0 0 270.153 3.308 10 0 CGAERN O=Cc1c(F)ccc(Br)c1C(F)F ZINC000575683162 377956748 /nfs/dbraw/zinc/95/67/48/377956748.db2.gz BDMBTYFOVIBBNW-UHFFFAOYSA-N 0 0 253.017 3.338 10 0 CGAERN COc1cc(O)c(C(F)F)cc1OC(F)(F)F ZINC000575669991 377947292 /nfs/dbraw/zinc/94/72/92/377947292.db2.gz UXDFLXCPXLIYHJ-UHFFFAOYSA-N 0 0 258.142 3.237 10 0 CGAERN COc1ccc(Cl)c(C(C)=O)c1Br ZINC000575674674 377949660 /nfs/dbraw/zinc/94/96/60/377949660.db2.gz QQXRFJZQVRCUED-UHFFFAOYSA-N 0 0 263.518 3.314 10 0 CGAERN CCOC(=O)Cc1c(C)cc(C)cc1C(F)(F)F ZINC000575674480 377949759 /nfs/dbraw/zinc/94/97/59/377949759.db2.gz QWCMGFARMFVCET-UHFFFAOYSA-N 0 0 260.255 3.428 10 0 CGAERN O=Cc1c(Br)cc(F)cc1OC(F)F ZINC000575680047 377953985 /nfs/dbraw/zinc/95/39/85/377953985.db2.gz JIIDELNSAOSIHM-UHFFFAOYSA-N 0 0 269.016 3.002 10 0 CGAERN CCOC(=O)c1c(C(F)(F)F)ccnc1C(F)(F)F ZINC000575397511 377904812 /nfs/dbraw/zinc/90/48/12/377904812.db2.gz BCHBZCQAFINFSC-UHFFFAOYSA-N 0 0 287.159 3.296 10 0 CGAERN CCOc1ccc(Br)c(OCC)c1OC ZINC000575680331 377954598 /nfs/dbraw/zinc/95/45/98/377954598.db2.gz DLTAMSVHQDFDQA-UHFFFAOYSA-N 0 0 275.142 3.255 10 0 CGAERN CCOC(=O)c1cc(=O)c2cc(Cl)c(Cl)cc2[n-]1 ZINC000575448947 377913312 /nfs/dbraw/zinc/91/33/12/377913312.db2.gz QCPFHBJJBRCWDT-UHFFFAOYSA-N 0 0 286.114 3.012 10 0 CGAERN Fc1ccnc(-c2ccc(Br)s2)n1 ZINC000575458773 377913986 /nfs/dbraw/zinc/91/39/86/377913986.db2.gz KLOCLOZHNOKGLV-UHFFFAOYSA-N 0 0 259.103 3.107 10 0 CGAERN N[C@@H](c1cncs1)c1ccsc1Br ZINC000575491626 377914776 /nfs/dbraw/zinc/91/47/76/377914776.db2.gz HGEVGRNUYQXFIP-SSDOTTSWSA-N 0 0 275.196 3.015 10 0 CGAERN O=C(c1cscc1Br)[C@H]1CC12CC2 ZINC000575486947 377914954 /nfs/dbraw/zinc/91/49/54/377914954.db2.gz JRJZPQVZGHKGGT-SSDOTTSWSA-N 0 0 257.152 3.493 10 0 CGAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000265664211 378006984 /nfs/dbraw/zinc/00/69/84/378006984.db2.gz PVRZTJPISNTYRK-LALPHHSUSA-N 0 0 299.374 3.463 10 0 CGAERN COc1cc(Br)c(C=O)c(C(F)F)c1 ZINC000575684025 377958410 /nfs/dbraw/zinc/95/84/10/377958410.db2.gz DWWCGHPXWQBMCY-UHFFFAOYSA-N 0 0 265.053 3.208 10 0 CGAERN O=Cc1c(F)c(C(F)F)ccc1Br ZINC000575685022 377960410 /nfs/dbraw/zinc/96/04/10/377960410.db2.gz NIYWELFYYPPGDU-UHFFFAOYSA-N 0 0 253.017 3.338 10 0 CGAERN O=Cc1cc(F)c(C(F)F)c(Br)c1 ZINC000575687151 377961916 /nfs/dbraw/zinc/96/19/16/377961916.db2.gz VZDPOHHBMIWXKD-UHFFFAOYSA-N 0 0 253.017 3.338 10 0 CGAERN COc1ccc(Br)c(C(F)F)c1OC ZINC000575686886 377962021 /nfs/dbraw/zinc/96/20/21/377962021.db2.gz QKCKGXNPYJVOLY-UHFFFAOYSA-N 0 0 267.069 3.404 10 0 CGAERN CC(=O)c1cc(OC(F)(F)F)cc(Br)c1O ZINC000575691749 377966438 /nfs/dbraw/zinc/96/64/38/377966438.db2.gz QIBGEKRIYYDLLE-UHFFFAOYSA-N 0 0 299.042 3.256 10 0 CGAERN Cc1c(O)c(C(F)(F)F)ccc1Br ZINC000575693307 377967870 /nfs/dbraw/zinc/96/78/70/377967870.db2.gz WTVRCSBEXDACIB-UHFFFAOYSA-N 0 0 255.033 3.482 10 0 CGAERN Cc1cc(C(F)(F)F)c(O)cc1Br ZINC000575693014 377967932 /nfs/dbraw/zinc/96/79/32/377967932.db2.gz QETMMFSBUOFGBW-UHFFFAOYSA-N 0 0 255.033 3.482 10 0 CGAERN NC(=O)c1c(Cl)ccc(Cl)c1C(F)(F)F ZINC000575694842 377969284 /nfs/dbraw/zinc/96/92/84/377969284.db2.gz MJESQSDORXQJKQ-UHFFFAOYSA-N 0 0 258.026 3.111 10 0 CGAERN CCc1ccc(C)c(I)c1C ZINC000575695856 377969377 /nfs/dbraw/zinc/96/93/77/377969377.db2.gz HIXOCSWWZOQPQP-UHFFFAOYSA-N 0 0 260.118 3.470 10 0 CGAERN CCOc1cc(OC)c(C(F)(F)F)cc1OC ZINC000575695251 377969383 /nfs/dbraw/zinc/96/93/83/377969383.db2.gz GSPCHKOFYHMUNS-UHFFFAOYSA-N 0 0 250.216 3.121 10 0 CGAERN CCc1c(C)ccc(I)c1C ZINC000575696676 377970052 /nfs/dbraw/zinc/97/00/52/377970052.db2.gz PXJFNQIXVSRTQS-UHFFFAOYSA-N 0 0 260.118 3.470 10 0 CGAERN CCOc1c(O)cc(Br)cc1Br ZINC000575696750 377970385 /nfs/dbraw/zinc/97/03/85/377970385.db2.gz ZOBNJTVKAYAHRF-UHFFFAOYSA-N 0 0 295.958 3.316 10 0 CGAERN CCOc1cc(C)cc(I)c1OC ZINC000575697951 377970710 /nfs/dbraw/zinc/97/07/10/377970710.db2.gz UHFTXVGVWMHPNL-UHFFFAOYSA-N 0 0 292.116 3.007 10 0 CGAERN CCOC(=O)c1cc(Br)c(F)c(OCC)c1 ZINC000575699419 377972506 /nfs/dbraw/zinc/97/25/06/377972506.db2.gz LVLNNRGQKFQRAL-UHFFFAOYSA-N 0 0 291.116 3.164 10 0 CGAERN CCc1c(C)cc(C(N)=O)cc1SC(F)(F)F ZINC000575703514 377977318 /nfs/dbraw/zinc/97/73/18/377977318.db2.gz NAMKELIVUYKHKA-UHFFFAOYSA-N 0 0 263.284 3.268 10 0 CGAERN CSc1cc(F)c(C=O)cc1OC(F)(F)F ZINC000575709002 377979467 /nfs/dbraw/zinc/97/94/67/377979467.db2.gz GNJZWMJVWVPWSS-UHFFFAOYSA-N 0 0 254.204 3.259 10 0 CGAERN COc1cc(I)c(C)c(SC)c1 ZINC000575709109 377979679 /nfs/dbraw/zinc/97/96/79/377979679.db2.gz SMIFSIRKHFGKDW-UHFFFAOYSA-N 0 0 294.157 3.330 10 0 CGAERN CSc1ccc(OC(F)(F)F)c(C=O)c1F ZINC000575710706 377980126 /nfs/dbraw/zinc/98/01/26/377980126.db2.gz ULUPMLHYXPNBPG-UHFFFAOYSA-N 0 0 254.204 3.259 10 0 CGAERN CCOc1cc(Cl)c(C(=O)OC)cc1Br ZINC000575710914 377980136 /nfs/dbraw/zinc/98/01/36/377980136.db2.gz QUIDCSZMXPLWGZ-UHFFFAOYSA-N 0 0 293.544 3.288 10 0 CGAERN CCc1c(Cl)cc(C(=O)OC)cc1Br ZINC000575711393 377980338 /nfs/dbraw/zinc/98/03/38/377980338.db2.gz XWEDIUVKCPYRLX-UHFFFAOYSA-N 0 0 277.545 3.452 10 0 CGAERN COC(=O)Cc1c(Cl)cc(Br)cc1Cl ZINC000575710816 377980374 /nfs/dbraw/zinc/98/03/74/377980374.db2.gz NZCHZXAUXYCPQM-UHFFFAOYSA-N 0 0 297.963 3.471 10 0 CGAERN CCc1c(Cl)cc(CC(=O)OC)cc1Br ZINC000575710759 377980475 /nfs/dbraw/zinc/98/04/75/377980475.db2.gz MMOZXVHAVAWKNU-UHFFFAOYSA-N 0 0 291.572 3.380 10 0 CGAERN COC(=O)Cc1cc(F)cc(C(F)F)c1Br ZINC000575709752 377980538 /nfs/dbraw/zinc/98/05/38/377980538.db2.gz BECITYWGQLPFIA-UHFFFAOYSA-N 0 0 297.070 3.241 10 0 CGAERN COC(=O)Cc1c(Br)cc(F)cc1C(F)F ZINC000575710005 377980608 /nfs/dbraw/zinc/98/06/08/377980608.db2.gz FXKGHPAOKMCURW-UHFFFAOYSA-N 0 0 297.070 3.241 10 0 CGAERN COC(=O)c1c(OC)cc(Cl)cc1C(F)F ZINC000575712564 377981183 /nfs/dbraw/zinc/98/11/83/377981183.db2.gz KEDNGZNNOIBGBH-UHFFFAOYSA-N 0 0 250.628 3.073 10 0 CGAERN CCOC(=O)c1cc(C(F)(F)F)cc(N)c1CC ZINC000575724310 377983694 /nfs/dbraw/zinc/98/36/94/377983694.db2.gz FVZHVSQOOKWWRR-UHFFFAOYSA-N 0 0 261.243 3.027 10 0 CGAERN Nc1cc(Cl)c(Br)cc1OC(F)F ZINC000575720155 377983770 /nfs/dbraw/zinc/98/37/70/377983770.db2.gz RUXITVABSUQNBE-UHFFFAOYSA-N 0 0 272.476 3.286 10 0 CGAERN COc1cc(C=O)c(OC(F)(F)F)c(C(F)(F)F)c1 ZINC000575730379 377984598 /nfs/dbraw/zinc/98/45/98/377984598.db2.gz NYTHJAVBVCWXSH-UHFFFAOYSA-N 0 0 288.143 3.425 10 0 CGAERN COc1cc(CO)c(C(F)(F)F)cc1OC(F)(F)F ZINC000575729203 377984704 /nfs/dbraw/zinc/98/47/04/377984704.db2.gz CAINALLWFWOPLR-UHFFFAOYSA-N 0 0 290.159 3.105 10 0 CGAERN COc1c(CO)cc(OC(F)(F)F)cc1C(F)(F)F ZINC000575729638 377984784 /nfs/dbraw/zinc/98/47/84/377984784.db2.gz FQWLEAAZXHVGLE-UHFFFAOYSA-N 0 0 290.159 3.105 10 0 CGAERN COc1c(C=O)c(C(F)(F)F)ccc1OC(F)(F)F ZINC000575731030 377984873 /nfs/dbraw/zinc/98/48/73/377984873.db2.gz WBJZIKZFPSSJIA-UHFFFAOYSA-N 0 0 288.143 3.425 10 0 CGAERN COc1c(N)ccc(C(F)(F)F)c1OC(F)(F)F ZINC000575731059 377984900 /nfs/dbraw/zinc/98/49/00/377984900.db2.gz XZBDQFBMCPIMLG-UHFFFAOYSA-N 0 0 275.148 3.195 10 0 CGAERN Brc1cccc2c1N=C(c1cncs1)CN2 ZINC000584648389 378396090 /nfs/dbraw/zinc/39/60/90/378396090.db2.gz HXOJGAUENNFFOF-UHFFFAOYSA-N 0 0 294.177 3.452 10 0 CGAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000270626838 378377253 /nfs/dbraw/zinc/37/72/53/378377253.db2.gz GSZMYCNKRCOHCL-KOZAUXTDSA-N 0 0 288.391 3.102 10 0 CGAERN C[C@H]1OCC[C@H]1NC(=O)Nc1csc2ccccc12 ZINC000272519184 378656598 /nfs/dbraw/zinc/65/65/98/378656598.db2.gz YCNWXQBJWZCYGX-MWLCHTKSSA-N 0 0 276.361 3.200 10 0 CGAERN Cc1nnc([C@@H](C)Nc2cc(Br)ccn2)s1 ZINC000274759490 378889116 /nfs/dbraw/zinc/88/91/16/378889116.db2.gz JTYCENXKNCNSSD-ZCFIWIBFSA-N 0 0 299.197 3.177 10 0 CGAERN COc1ccc(Cl)cc1N(C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000191812963 542262658 /nfs/dbraw/zinc/26/26/58/542262658.db2.gz XRMQXTVREOIAIC-ZYHUDNBSSA-N 0 0 297.782 3.127 10 0 CGAERN Cc1c(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)ccn1C ZINC000192582229 542267113 /nfs/dbraw/zinc/26/71/13/542267113.db2.gz IWZOGLKCJZIORO-SJKOYZFVSA-N 0 0 282.387 3.305 10 0 CGAERN CC(C)[C@H](C)CNC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000373983747 379356214 /nfs/dbraw/zinc/35/62/14/379356214.db2.gz BYBTZAZKNZMYGO-FPCVCCKLSA-N 0 0 296.455 3.004 10 0 CGAERN CCc1ccc([C@@H]2CCCN2C(=O)[C@@H](O)c2ccccc2)o1 ZINC000266892154 190288379 /nfs/dbraw/zinc/28/83/79/190288379.db2.gz MOMAMRJDYUDIPJ-RDJZCZTQSA-N 0 0 299.370 3.239 10 0 CGAERN Cc1cc(C)n(Cc2nc(C3C[C@H](C)C[C@@H](C)C3)no2)n1 ZINC000408227363 380000236 /nfs/dbraw/zinc/00/02/36/380000236.db2.gz SAIOCUHNGGSTQY-GHMZBOCLSA-N 0 0 288.395 3.471 10 0 CGAERN Cc1cc(-c2nc(C3C[C@@H](C)C[C@H](C)C3)no2)n[nH]1 ZINC000408223051 380000704 /nfs/dbraw/zinc/00/07/04/380000704.db2.gz CMILABRDYSSQAI-IUCAKERBSA-N 0 0 260.341 3.308 10 0 CGAERN CC(C)c1cc(NC(=O)N2CC[C@H](C)C[C@H](C)C2)no1 ZINC000408437740 380009967 /nfs/dbraw/zinc/00/99/67/380009967.db2.gz YYCXFXZGOHRVCD-RYUDHWBXSA-N 0 0 279.384 3.120 10 0 CGAERN CC(C)c1ccc([C@@H](C)NC(=O)CCc2c[nH]cn2)cc1 ZINC000195030193 542278460 /nfs/dbraw/zinc/27/84/60/542278460.db2.gz XHQRTUOVHUFUFA-CYBMUJFWSA-N 0 0 285.391 3.343 10 0 CGAERN Cc1ccc([C@@H](C)NC(=O)c2coc(C3CCC3)n2)o1 ZINC000195421354 542281195 /nfs/dbraw/zinc/28/11/95/542281195.db2.gz NIQLFJGQKQLKDE-SNVBAGLBSA-N 0 0 274.320 3.335 10 0 CGAERN Cc1nc2c([nH]1)C[C@@H](C(=O)Nc1c(C)cc(C)cc1C)CC2 ZINC000220602885 542288094 /nfs/dbraw/zinc/28/80/94/542288094.db2.gz JWVQJUBIFAWWMR-AWEZNQCLSA-N 0 0 297.402 3.387 10 0 CGAERN O=C1OCc2cc(Br)c(C(F)(F)F)cc21 ZINC000145678623 284961027 /nfs/dbraw/zinc/96/10/27/284961027.db2.gz CYDLFAYTWYNZKI-UHFFFAOYSA-N 0 0 281.027 3.138 10 0 CGAERN Cn1cnc2c1ccnc2NCc1ccccc1Cl ZINC000039437457 184546842 /nfs/dbraw/zinc/54/68/42/184546842.db2.gz SNXPUOYOVNVBML-UHFFFAOYSA-N 0 0 272.739 3.234 10 0 CGAERN O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000249923168 542341337 /nfs/dbraw/zinc/34/13/37/542341337.db2.gz WIIUMNWUKSDTQT-AYMMMOKOSA-N 0 0 253.704 3.464 10 0 CGAERN CN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250242670 542342026 /nfs/dbraw/zinc/34/20/26/542342026.db2.gz RROJDNXTTSKQSO-ILWJIGKKSA-N 0 0 269.797 3.406 10 0 CGAERN CCCC(=O)NC(=S)Nc1cccc2ccccc21 ZINC000000502960 169657949 /nfs/dbraw/zinc/65/79/49/169657949.db2.gz MBFUHCDRDUIDKX-UHFFFAOYSA-N 0 0 272.373 3.453 10 0 CGAERN O=C1C[C@@H](c2cccc(F)c2)Nc2cc3c(cc21)OCO3 ZINC000003828422 296344782 /nfs/dbraw/zinc/34/47/82/296344782.db2.gz IJYJIPDFDHBJTD-LBPRGKRZSA-N 0 0 285.274 3.294 10 0 CGAERN Cc1ccc(CCC(=O)NC[C@@H](O)C(C)(C)C)cc1Cl ZINC000324358241 542443014 /nfs/dbraw/zinc/44/30/14/542443014.db2.gz QIECYTNFXPBFSL-CQSZACIVSA-N 0 0 297.826 3.104 10 0 CGAERN CC(C)c1noc2ncc(C(=O)N3CC[C@H]4CCC[C@H]43)cc21 ZINC000330334945 542450701 /nfs/dbraw/zinc/45/07/01/542450701.db2.gz YVVXSVYUGOCCRZ-BXUZGUMPSA-N 0 0 299.374 3.361 10 0 CGAERN Cc1cc(Cl)cnc1NC(=O)N1[C@H](C)CC[C@H]1C ZINC000334663792 542459982 /nfs/dbraw/zinc/45/99/82/542459982.db2.gz ZJLAZHKVGOANQM-NXEZZACHSA-N 0 0 267.760 3.448 10 0 CGAERN O[C@@H]1C[C@H](c2cc(F)ccc2F)N([C@H]2C=CCCC2)C1 ZINC000178910901 285334656 /nfs/dbraw/zinc/33/46/56/285334656.db2.gz QUMJKWXPJATBSJ-WOSRLPQWSA-N 0 0 279.330 3.181 10 0 CGAERN O=C(c1ccncc1)N1CCC[C@@H](COc2ccccc2)C1 ZINC000062078923 224492999 /nfs/dbraw/zinc/49/29/99/224492999.db2.gz YJFQDSJLPVVXNR-OAHLLOKOSA-N 0 0 296.370 3.013 10 0 CGAERN C[C@H](CO)CSCc1cc(Cl)cc2c1OCOC2 ZINC000097460003 224609446 /nfs/dbraw/zinc/60/94/46/224609446.db2.gz XSAPMBUWIYOKPY-SECBINFHSA-N 0 0 288.796 3.068 10 0 CGAERN C[C@@H]1C[C@@H](CNc2c(F)c(F)nc(F)c2F)C[C@H](C)O1 ZINC000281887094 195421432 /nfs/dbraw/zinc/42/14/32/195421432.db2.gz OOPDOURKCYWYGJ-RNLVFQAGSA-N 0 0 292.276 3.254 10 0 CGAERN COCCCNC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000178936602 533288700 /nfs/dbraw/zinc/28/87/00/533288700.db2.gz HWPWKJQTEHKFSM-HNNXBMFYSA-N 0 0 290.407 3.036 10 0 CGAERN COc1ccc(C)cc1CSCc1nnnn1C(C)C ZINC000176894997 533388773 /nfs/dbraw/zinc/38/87/73/533388773.db2.gz RTIKLOKAWLXLGA-UHFFFAOYSA-N 0 0 292.408 3.004 10 0 CGAERN S=c1[nH]cc(-c2cnc3ccc(Cl)cn32)s1 ZINC000095911125 285409591 /nfs/dbraw/zinc/40/95/91/285409591.db2.gz WGJYSRSMXDKHJN-UHFFFAOYSA-N 0 0 267.766 3.400 10 0 CGAERN COc1cccc(CC(=O)N2CC(c3ccccc3F)C2)c1 ZINC000361210820 533443938 /nfs/dbraw/zinc/44/39/38/533443938.db2.gz CYJYSONRXLFPIO-UHFFFAOYSA-N 0 0 299.345 3.003 10 0 CGAERN Cc1nc([C@@H]2CCCN2Cc2cccnc2)cs1 ZINC000189789393 130022794 /nfs/dbraw/zinc/02/27/94/130022794.db2.gz RQXMRLWGVYQZFP-AWEZNQCLSA-N 0 0 259.378 3.184 10 0 CGAERN CCCc1noc(CN2CCC[C@H]2c2csc(C)n2)n1 ZINC000189804752 130025046 /nfs/dbraw/zinc/02/50/46/130025046.db2.gz HHNGMOMYNQIXHK-LBPRGKRZSA-N 0 0 292.408 3.124 10 0 CGAERN 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377534301 /nfs/dbraw/zinc/53/43/01/377534301.db2.gz AKGLJDOCLCEJGL-CHWSQXEVSA-N 0 0 266.410 3.239 10 0 CGAERN Cc1ccc(/C=C/CC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000179250832 542200597 /nfs/dbraw/zinc/20/05/97/542200597.db2.gz IMOHPABWLHMWAI-XPQDNOAISA-N 0 0 287.403 3.066 10 0 CGAERN Cc1ccc([C@@H](C)NC(=O)c2cc(=O)[nH]c(C(C)C)c2)o1 ZINC000180777812 542214493 /nfs/dbraw/zinc/21/44/93/542214493.db2.gz KQRFVVDOCOHLDV-LLVKDONJSA-N 0 0 288.347 3.303 10 0 CGAERN C[C@@H]1C[C@@H]1Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000182321093 542223475 /nfs/dbraw/zinc/22/34/75/542223475.db2.gz GZEFUVLWMXAOCR-KCJUWKMLSA-N 0 0 263.341 3.088 10 0 CGAERN CCOC(=O)c1cc(OC)c(Cl)cc1Br ZINC000260127634 377806447 /nfs/dbraw/zinc/80/64/47/377806447.db2.gz OOVWHRYASWJSCT-UHFFFAOYSA-N 0 0 293.544 3.288 10 0 CGAERN COC(=O)c1cc(Cl)cc(C(F)F)c1OC ZINC000260407031 377808497 /nfs/dbraw/zinc/80/84/97/377808497.db2.gz PJPUBXRGGAWWTM-UHFFFAOYSA-N 0 0 250.628 3.073 10 0 CGAERN CCOC(=O)c1cc(Br)cc(CC)c1OC ZINC000261139012 377810210 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275.142 3.255 10 0 CGAERN Cc1c(I)cnc2ccccc12 ZINC000575432227 377908803 /nfs/dbraw/zinc/90/88/03/377908803.db2.gz SGBBGVQSCKDWQW-UHFFFAOYSA-N 0 0 269.085 3.148 10 0 CGAERN Cc1cc(OC(F)F)c(F)cc1Br ZINC000575680713 377954961 /nfs/dbraw/zinc/95/49/61/377954961.db2.gz UXDLUALOFLLUOT-UHFFFAOYSA-N 0 0 255.033 3.498 10 0 CGAERN Nc1ccc(C2CCC2)cc1I ZINC000575482096 377915055 /nfs/dbraw/zinc/91/50/55/377915055.db2.gz VIVOHHGRBCIIPM-UHFFFAOYSA-N 0 0 273.117 3.141 10 0 CGAERN O=Cc1csc(-c2ccsc2Br)n1 ZINC000575541008 377915917 /nfs/dbraw/zinc/91/59/17/377915917.db2.gz CKRHSGNLBWSTLB-UHFFFAOYSA-N 0 0 274.164 3.447 10 0 CGAERN COc1cc(Br)cc(O)c1C(F)F ZINC000575684712 377959119 /nfs/dbraw/zinc/95/91/19/377959119.db2.gz HECXDSKYJSNMIA-UHFFFAOYSA-N 0 0 253.042 3.101 10 0 CGAERN COc1ccc(C(F)(F)F)c(OC)c1Br ZINC000575685345 377960092 /nfs/dbraw/zinc/96/00/92/377960092.db2.gz DWHGXLSBMRLMHO-UHFFFAOYSA-N 0 0 285.059 3.485 10 0 CGAERN Cc1cc(C=O)c(Br)c(OC(F)F)c1 ZINC000575685493 377960212 /nfs/dbraw/zinc/96/02/12/377960212.db2.gz VONOIWOFRGTCKG-UHFFFAOYSA-N 0 0 265.053 3.171 10 0 CGAERN O=Cc1cc(Br)c(C(F)F)c(C=O)c1 ZINC000575685498 377960399 /nfs/dbraw/zinc/96/03/99/377960399.db2.gz LNKIEXMNZTYHSM-UHFFFAOYSA-N 0 0 263.037 3.012 10 0 CGAERN COc1c(F)ccc(Br)c1OC(F)(F)F ZINC000575689484 377964147 /nfs/dbraw/zinc/96/41/47/377964147.db2.gz NGDOFAVCIIVXHQ-UHFFFAOYSA-N 0 0 289.022 3.495 10 0 CGAERN CC(=O)c1cc(Br)cc(O)c1OC(F)(F)F ZINC000575689945 377965067 /nfs/dbraw/zinc/96/50/67/377965067.db2.gz NURHYOSUWRCVAP-UHFFFAOYSA-N 0 0 299.042 3.256 10 0 CGAERN COc1c(O)c(Br)ccc1OC(F)(F)F ZINC000575690851 377965228 /nfs/dbraw/zinc/96/52/28/377965228.db2.gz CZGJFWHKFOTWMX-UHFFFAOYSA-N 0 0 287.031 3.062 10 0 CGAERN O=Cc1c(Br)cc(F)cc1C(F)(F)F ZINC000575689857 377965672 /nfs/dbraw/zinc/96/56/72/377965672.db2.gz ITVQMOGVBNZOCM-UHFFFAOYSA-N 0 0 271.007 3.420 10 0 CGAERN CC(=O)c1cc(O)cc(C(F)(F)F)c1Br ZINC000575691290 377966540 /nfs/dbraw/zinc/96/65/40/377966540.db2.gz 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ZINC000575705956 377978461 /nfs/dbraw/zinc/97/84/61/377978461.db2.gz TUSYQRMDQDDNMT-UHFFFAOYSA-N 0 0 282.121 3.461 10 0 CGAERN CSc1cc(F)c(OC(F)(F)F)c(C=O)c1 ZINC000575709603 377978971 /nfs/dbraw/zinc/97/89/71/377978971.db2.gz MCVGTEGZSDXXKJ-UHFFFAOYSA-N 0 0 254.204 3.259 10 0 CGAERN COC(=O)Cc1cc(Br)c(C)cc1Cl ZINC000575710169 377980113 /nfs/dbraw/zinc/98/01/13/377980113.db2.gz IFNSBZUREXHXHE-UHFFFAOYSA-N 0 0 277.545 3.126 10 0 CGAERN CCc1cc(Cl)cc(Br)c1C(=O)OC ZINC000575710388 377980329 /nfs/dbraw/zinc/98/03/29/377980329.db2.gz MCNNZSIZBITJMH-UHFFFAOYSA-N 0 0 277.545 3.452 10 0 CGAERN COC(=O)Cc1cc(Cl)c(C)cc1Br ZINC000575710074 377980355 /nfs/dbraw/zinc/98/03/55/377980355.db2.gz GULAJSQJFTWWKH-UHFFFAOYSA-N 0 0 277.545 3.126 10 0 CGAERN COC(=O)Cc1cc(C(F)F)cc(OC)c1Cl ZINC000575713185 377982405 /nfs/dbraw/zinc/98/24/05/377982405.db2.gz TULZBTRQJPJUPX-UHFFFAOYSA-N 0 0 264.655 3.002 10 0 CGAERN COCCC(C)(C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000184155667 542234033 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COc1cccc([C@](C)(O)c2cc(F)ccc2C)c1 ZINC000055191662 524190634 /nfs/dbraw/zinc/19/06/34/524190634.db2.gz AFVJPFVVMPXZDE-INIZCTEOSA-N 0 0 260.308 3.399 10 0 CGAERN Cc1cc(C)c(NC(=O)C(=O)c2ccccc2)c(C)c1 ZINC000049859084 524281542 /nfs/dbraw/zinc/28/15/42/524281542.db2.gz HSHAIMGLKDWLQY-UHFFFAOYSA-N 0 0 267.328 3.433 10 0 CGAERN Cc1cc(C)c(OCCCCC(N)=S)c(C)c1 ZINC000049583218 524308736 /nfs/dbraw/zinc/30/87/36/524308736.db2.gz WXPGPKOJIDSTPQ-UHFFFAOYSA-N 0 0 251.395 3.447 10 0 CGAERN COc1ccc(N(C(=O)[C@@H]2CC[C@H](C)O2)C(C)C)cc1F ZINC000155475450 524337231 /nfs/dbraw/zinc/33/72/31/524337231.db2.gz APRKNTJYXSXQQD-NHYWBVRUSA-N 0 0 295.354 3.143 10 0 CGAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(CC(F)(F)F)cc2)O1 ZINC000156363110 524384577 /nfs/dbraw/zinc/38/45/77/524384577.db2.gz OQKBCTLZEDPQPJ-JOYOIKCWSA-N 0 0 287.281 3.297 10 0 CGAERN Cc1cccc(N(C)C(=O)c2cc(C)ccc2N)c1 ZINC000053003333 524515290 /nfs/dbraw/zinc/51/52/90/524515290.db2.gz DJRCXZIKRDOHMA-UHFFFAOYSA-N 0 0 254.333 3.162 10 0 CGAERN 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CC(=O)c1cccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117564574 534892492 /nfs/dbraw/zinc/89/24/92/534892492.db2.gz OZSKULZNSURKCI-DIFFPNOSSA-N 0 0 295.338 3.392 10 0 CGAERN C[C@H]1CC(c2noc(-c3cnccn3)n2)C[C@H](C)C1 ZINC000273961005 526230264 /nfs/dbraw/zinc/23/02/64/526230264.db2.gz JNTBUTVPWQMAHS-NXEZZACHSA-N 0 0 258.325 3.066 10 0 CGAERN O[C@H](Cc1c(F)cccc1Cl)c1ccccn1 ZINC000049346781 526294297 /nfs/dbraw/zinc/29/42/97/526294297.db2.gz UEWYXOUUAPLSCW-CYBMUJFWSA-N 0 0 251.688 3.150 10 0 CGAERN O[C@H](C[C@@H]1CCCO1)c1ccccc1OC(F)(F)F ZINC000055201767 526294921 /nfs/dbraw/zinc/29/49/21/526294921.db2.gz NCFGCIVKBDPLMT-GXSJLCMTSA-N 0 0 276.254 3.188 10 0 CGAERN CC(C)(C)OC(=O)CCN1CCC[C@H]1c1nccs1 ZINC000366671662 526354497 /nfs/dbraw/zinc/35/44/97/526354497.db2.gz HXZUBJOSABICAW-NSHDSACASA-N 0 0 282.409 3.012 10 0 CGAERN O=C(CC1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000062791719 526372030 /nfs/dbraw/zinc/37/20/30/526372030.db2.gz QTIXBMWDNGCORC-UHFFFAOYSA-N 0 0 256.704 3.479 10 0 CGAERN 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CCCCCNC1(c2noc(C3CC3)n2)CCCC1 ZINC000174246744 528214801 /nfs/dbraw/zinc/21/48/01/528214801.db2.gz WHVHDUKZVLSHDC-UHFFFAOYSA-N 0 0 263.385 3.496 10 0 CGAERN CC(C)n1nnnc1CS[C@H](C)c1ccccc1 ZINC000176894695 528702650 /nfs/dbraw/zinc/70/26/50/528702650.db2.gz DYFRFRUUFSGWOR-LLVKDONJSA-N 0 0 262.382 3.248 10 0 CGAERN CCCCS(=O)(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000162325644 528725885 /nfs/dbraw/zinc/72/58/85/528725885.db2.gz UMGJVKHJYPXRRV-IUODEOHRSA-N 0 0 281.421 3.345 10 0 CGAERN CCCc1nc(CN2C[C@H](c3cccs3)C[C@@H]2C)no1 ZINC000366647995 528749594 /nfs/dbraw/zinc/74/95/94/528749594.db2.gz ZAYCHYILCGJSPN-NWDGAFQWSA-N 0 0 291.420 3.462 10 0 CGAERN CC[C@H](c1ccccc1)[S@@](=O)Cc1nccn1CC ZINC000176844451 529183920 /nfs/dbraw/zinc/18/39/20/529183920.db2.gz SLJMTDPKEZGLGP-KUHUBIRLSA-N 0 0 276.405 3.303 10 0 CGAERN CC(C)c1nnc(CNC(=O)C2CCC(C)(C)CC2)s1 ZINC000408366805 534980381 /nfs/dbraw/zinc/98/03/81/534980381.db2.gz ZTZCAEIFIKXESA-UHFFFAOYSA-N 0 0 295.452 3.494 10 0 CGAERN CCCC[C@H](COC)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186526036 535043676 /nfs/dbraw/zinc/04/36/76/535043676.db2.gz CMKJGVRWDDGUFP-CQSZACIVSA-N 0 0 291.395 3.281 10 0 CGAERN CC(C)=CCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000190560274 535370055 /nfs/dbraw/zinc/37/00/55/535370055.db2.gz DBNOMKKDRZFYII-LBPRGKRZSA-N 0 0 279.409 3.346 10 0 CGAERN CCO[C@@H]1C[C@@H](Nc2cc(OC)ccc2F)C1(C)C ZINC000094854754 535419386 /nfs/dbraw/zinc/41/93/86/535419386.db2.gz SDUJBTBUTQMQFV-ZIAGYGMSSA-N 0 0 267.344 3.450 10 0 CGAERN CC[C@@H](NC(=O)c1ncccc1Br)C(C)C ZINC000231762700 535802349 /nfs/dbraw/zinc/80/23/49/535802349.db2.gz ITKYWFOTSNYHCQ-SNVBAGLBSA-N 0 0 285.185 3.009 10 0 CGAERN CCc1nc(CN2CC[C@H](c3ccccc3)[C@H]2C)no1 ZINC000246544338 536137759 /nfs/dbraw/zinc/13/77/59/536137759.db2.gz SXGXFCUCEHSNPG-OCCSQVGLSA-N 0 0 271.364 3.010 10 0 CGAERN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000190274760 536578256 /nfs/dbraw/zinc/57/82/56/536578256.db2.gz OCEKXGFSTPTDOH-KOLCDFICSA-N 0 0 283.755 3.102 10 0 CGAERN 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CGAERN C/C=C(\C)C(=O)Oc1ccc(F)cc1Br ZINC000177667616 618834761 /nfs/dbraw/zinc/83/47/61/618834761.db2.gz FUVSRLYSHGENHJ-XVNBXDOJSA-N 0 0 273.101 3.460 10 0 CGAERN C1CC(C(c2noc([C@@H]3CCC[NH2+]3)n2)C2CCC2)C1 ZINC000311383828 618905915 /nfs/dbraw/zinc/90/59/15/618905915.db2.gz VYSNWDMWHSKWSY-LBPRGKRZSA-N 0 0 261.369 3.178 10 0 CGAERN CC[C@@H](NC)c1nc(C(C2CCC2)C2CCC2)no1 ZINC000311395989 618906123 /nfs/dbraw/zinc/90/61/23/618906123.db2.gz ZOJFJBBYWSLUBZ-GFCCVEGCSA-N 0 0 263.385 3.424 10 0 CGAERN C[C@H](O)c1nc2ccccc2n1Cc1cccc(Cl)n1 ZINC000181501390 619026344 /nfs/dbraw/zinc/02/63/44/619026344.db2.gz GGWRZMTUMJYDQG-JTQLQIEISA-N 0 0 287.750 3.186 10 0 CGAERN COC[C@@H](C)C(=O)O[C@@H](C)c1cccc(OC(C)C)c1 ZINC000187869415 619080742 /nfs/dbraw/zinc/08/07/42/619080742.db2.gz JLDLYTCARYKXIX-OLZOCXBDSA-N 0 0 280.364 3.361 10 0 CGAERN CCOC[C@H](C)OC(=O)C[C@H](C)C(=O)c1cccc(F)c1 ZINC000190764589 619103221 /nfs/dbraw/zinc/10/32/21/619103221.db2.gz YJQVNAQKBREDHG-RYUDHWBXSA-N 0 0 296.338 3.003 10 0 CGAERN CCOC[C@H](C)OC(=O)c1ccc(OC(C)C)c(OC)c1 ZINC000190769024 619103399 /nfs/dbraw/zinc/10/33/99/619103399.db2.gz NXNLCMYIFBGFNH-LBPRGKRZSA-N 0 0 296.363 3.064 10 0 CGAERN O[C@H](CN1CCC(F)(F)C1)c1ccc2ccccc2c1 ZINC000313258651 619165421 /nfs/dbraw/zinc/16/54/21/619165421.db2.gz BWVXGXFIANMSIY-OAHLLOKOSA-N 0 0 277.314 3.214 10 0 CGAERN CC[C@H](CC#N)OC(=O)[C@H]1C[C@H]1c1cccc(OC)c1 ZINC000248936852 619217255 /nfs/dbraw/zinc/21/72/55/619217255.db2.gz CCIDMTYPMLRFPN-SNPRPXQTSA-N 0 0 273.332 3.034 10 0 CGAERN CCCC(=CC(=O)O[C@H](C)[C@@H]1CCOC1)CCC ZINC000092715768 619248200 /nfs/dbraw/zinc/24/82/00/619248200.db2.gz UQPAETMGEDQXMW-TZMCWYRMSA-N 0 0 254.370 3.481 10 0 CGAERN Cc1cc(C)c(C)c(OC(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000192193225 619763436 /nfs/dbraw/zinc/76/34/36/619763436.db2.gz RGZSKAGWGOSEBR-KGLIPLIRSA-N 0 0 262.349 3.332 10 0 CGAERN C[C@@H](O)c1cccc(OCCOc2ccccc2F)c1 ZINC000041414397 620560586 /nfs/dbraw/zinc/56/05/86/620560586.db2.gz CWMFYPCCBKLEOA-GFCCVEGCSA-N 0 0 276.307 3.337 10 0 CGAERN COc1cccc([C@H](C)C(=O)O[C@H](C)C2CCOCC2)c1 ZINC000151415309 622779319 /nfs/dbraw/zinc/77/93/19/622779319.db2.gz QIMWSEBYVMRYIZ-QWHCGFSZSA-N 0 0 292.375 3.157 10 0 CGAERN Cc1ccc(C)c(NC(=S)NCC[C@@H]2CCCO2)c1 ZINC000055353123 622820878 /nfs/dbraw/zinc/82/08/78/622820878.db2.gz XAMHVBDZMXQBKU-ZDUSSCGKSA-N 0 0 278.421 3.159 10 0 CGAERN CC[C@@H](SC)C(=O)O[C@H](C)c1ccc2c(c1)OCCO2 ZINC000156831279 622847777 /nfs/dbraw/zinc/84/77/77/622847777.db2.gz GRMHEBAZZUZDIT-QMTHXVAHSA-N 0 0 296.388 3.204 10 0 CGAERN COc1c2c(sc1C(=O)N1CCC(C)CC1)CCC2 ZINC000223475240 622861184 /nfs/dbraw/zinc/86/11/84/622861184.db2.gz XULZGQTWKBNAPN-UHFFFAOYSA-N 0 0 279.405 3.118 10 0 CGAERN CC[C@@H](OC(=O)C1CCOCC1)c1ccc(F)cc1 ZINC000057750357 622883698 /nfs/dbraw/zinc/88/36/98/622883698.db2.gz PMPVPNNRMJSABZ-CQSZACIVSA-N 0 0 266.312 3.247 10 0 CGAERN CCO[C@H](c1noc(-c2ccc(OC)cc2O)n1)C(C)C ZINC000157407658 622900955 /nfs/dbraw/zinc/90/09/55/622900955.db2.gz JABVINNPFRJZBU-ZDUSSCGKSA-N 0 0 292.335 3.184 10 0 CGAERN CCO[C@@H](c1noc(-c2ccc(C)cc2O)n1)C(C)C ZINC000157408749 622902341 /nfs/dbraw/zinc/90/23/41/622902341.db2.gz DJTLWZYXOGIWJA-CYBMUJFWSA-N 0 0 276.336 3.484 10 0 CGAERN O=C(CCc1ccccc1F)N[C@@H]1COc2ccccc21 ZINC000058727788 622950046 /nfs/dbraw/zinc/95/00/46/622950046.db2.gz WVHBZMIDIYOVRS-OAHLLOKOSA-N 0 0 285.318 3.008 10 0 CGAERN CCOC(=O)[C@@H](NCC(CC)CC)c1ccccc1 ZINC000226690517 622995780 /nfs/dbraw/zinc/99/57/80/622995780.db2.gz LCRVPJPFPHSEKJ-HNNXBMFYSA-N 0 0 263.381 3.317 10 0 CGAERN CC[C@H]1CCCCN1C(=O)N[C@H]1COc2ccccc21 ZINC000060586566 623053698 /nfs/dbraw/zinc/05/36/98/623053698.db2.gz PPRNOBFJNJNQEL-JSGCOSHPSA-N 0 0 274.364 3.094 10 0 CGAERN Cc1nc([C@H](C)Nc2cc(Cl)nc(C)n2)cs1 ZINC000170543347 623081441 /nfs/dbraw/zinc/08/14/41/623081441.db2.gz QYMUJOKSSVJPLT-LURJTMIESA-N 0 0 268.773 3.376 10 0 CGAERN Cc1ccn2ncc(C(=O)O[C@@H](C)c3cccs3)c2n1 ZINC000171039906 623127469 /nfs/dbraw/zinc/12/74/69/623127469.db2.gz REYWTBKYQBKPCM-JTQLQIEISA-N 0 0 287.344 3.017 10 0 CGAERN 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377981594 /nfs/dbraw/zinc/98/15/94/377981594.db2.gz LLJVQBSSESOIFS-UHFFFAOYSA-N 0 0 250.628 3.073 10 0 CGAERN CC(=O)c1c(N)c(OC(F)F)ccc1C(F)(F)F ZINC000575718010 377982557 /nfs/dbraw/zinc/98/25/57/377982557.db2.gz WHJRPRUOSGQAOG-UHFFFAOYSA-N 0 0 269.169 3.092 10 0 CGAERN CC(=O)c1cc(OC(F)F)cc(N)c1C(F)(F)F ZINC000575717787 377982808 /nfs/dbraw/zinc/98/28/08/377982808.db2.gz ULDJDBFEVGQDPQ-UHFFFAOYSA-N 0 0 269.169 3.092 10 0 CGAERN CCOC(=O)c1cc(CC)cc(N)c1C(F)(F)F ZINC000575724296 377983688 /nfs/dbraw/zinc/98/36/88/377983688.db2.gz DXPCLTUQKHUSGB-UHFFFAOYSA-N 0 0 261.243 3.027 10 0 CGAERN COc1ccc(CO)c(C(F)(F)F)c1OC(F)(F)F ZINC000575729832 377984547 /nfs/dbraw/zinc/98/45/47/377984547.db2.gz ISVGRUCSMAEIJR-UHFFFAOYSA-N 0 0 290.159 3.105 10 0 CGAERN COc1cc(N)c(OC(F)(F)F)c(C(F)(F)F)c1 ZINC000575730779 377984778 /nfs/dbraw/zinc/98/47/78/377984778.db2.gz SHLLPJUVZHRPMZ-UHFFFAOYSA-N 0 0 275.148 3.195 10 0 CGAERN O=C(Nc1cccc(F)c1F)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000268461895 378061522 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ZINC000396051727 346578851 /nfs/dbraw/zinc/57/88/51/346578851.db2.gz FOYDZXIIYZSDGB-UHFFFAOYSA-N 0 0 292.001 3.464 10 0 CGAERN CCOC(=O)c1cc(Br)cc(C#N)c1CC ZINC000396108036 346579303 /nfs/dbraw/zinc/57/93/03/346579303.db2.gz YPDLAFVVAFVJFT-UHFFFAOYSA-N 0 0 282.137 3.060 10 0 CGAERN O=[N+]([O-])c1cc(F)cc(SC(F)(F)F)c1F ZINC000396113074 346579395 /nfs/dbraw/zinc/57/93/95/346579395.db2.gz GQIPQJOYKTYUCF-UHFFFAOYSA-N 0 0 259.155 3.485 10 0 CGAERN COc1cc(OC)c(F)c(SC(F)(F)F)c1 ZINC000396115594 346579414 /nfs/dbraw/zinc/57/94/14/346579414.db2.gz IDJYSYZGLIKWOW-UHFFFAOYSA-N 0 0 256.220 3.455 10 0 CGAERN CCOC(=O)c1cc(Br)cc(CC)c1C#N ZINC000396105155 346579461 /nfs/dbraw/zinc/57/94/61/346579461.db2.gz TWBTXTFHIRZKDT-UHFFFAOYSA-N 0 0 282.137 3.060 10 0 CGAERN Cc1cc(Br)c(Cl)c(N2CCOCC2)c1 ZINC000396128658 346580167 /nfs/dbraw/zinc/58/01/67/346580167.db2.gz AXQPVQUUKSCPFT-UHFFFAOYSA-N 0 0 290.588 3.248 10 0 CGAERN CCc1ccc([C@@H](C)Nc2ccncc2C#N)cc1 ZINC000399346379 346587677 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3.278 10 0 CGAERN CNc1c(N)cnc2c(Cl)c(Br)ccc21 ZINC000584882878 346721335 /nfs/dbraw/zinc/72/13/35/346721335.db2.gz YHZKURGVYBPORS-UHFFFAOYSA-N 0 0 286.560 3.275 10 0 CGAERN Nc1cnc2c(Cl)ccc(Br)c2c1 ZINC000584882732 346721491 /nfs/dbraw/zinc/72/14/91/346721491.db2.gz NZGIPNACNQCGLY-UHFFFAOYSA-N 0 0 257.518 3.233 10 0 CGAERN Cc1cc(Br)c(O[C@H]2CCCCO2)cn1 ZINC000585681280 346726595 /nfs/dbraw/zinc/72/65/95/346726595.db2.gz LZCFKCNHPFUTDX-NSHDSACASA-N 0 0 272.142 3.058 10 0 CGAERN CC(C)(COCC(F)F)c1c(F)cc(N)cc1F ZINC000584592923 346686158 /nfs/dbraw/zinc/68/61/58/346686158.db2.gz FPHYWRIOCXBDPG-UHFFFAOYSA-N 0 0 265.250 3.106 10 0 CGAERN COC(=O)[C@@H](C)c1ccc(Nc2ncccc2C)cc1 ZINC000584595697 346687039 /nfs/dbraw/zinc/68/70/39/346687039.db2.gz ZXNFUKWGJRPLOC-LBPRGKRZSA-N 0 0 270.332 3.410 10 0 CGAERN O=C(C[C@H](CCO)c1ccccc1)OCc1ccccc1 ZINC000584596617 346687920 /nfs/dbraw/zinc/68/79/20/346687920.db2.gz BOEDLZVUCJAZNY-KRWDZBQOSA-N 0 0 284.355 3.286 10 0 CGAERN COC(=O)C1(Sc2ccc(O)cc2)CCCCC1 ZINC000584600258 346689075 /nfs/dbraw/zinc/68/90/75/346689075.db2.gz BWUDDXMUJTZPPV-UHFFFAOYSA-N 0 0 266.362 3.360 10 0 CGAERN O=c1oc(-c2ccc(Br)cc2)c2[nH]cccc1-2 ZINC000584607494 346691234 /nfs/dbraw/zinc/69/12/34/346691234.db2.gz LEBGRATWTKEVNT-LBPRGKRZSA-N 0 0 290.116 3.104 10 0 CGAERN C[C@@H](c1ncc[nH]1)c1ccc(I)cc1 ZINC000584610331 346691897 /nfs/dbraw/zinc/69/18/97/346691897.db2.gz AAUXVRYTIZVYDI-MRVPVSSYSA-N 0 0 298.127 3.166 10 0 CGAERN O=C1CC[C@H](C(Br)=C2CCCCC2)O1 ZINC000584610642 346691910 /nfs/dbraw/zinc/69/19/10/346691910.db2.gz ZNGIBZUZHFLNTK-SECBINFHSA-N 0 0 259.143 3.305 10 0 CGAERN CCCOC(=O)[C@@H]1CCc2[nH]c3ccccc3c2C1 ZINC000584617254 346694336 /nfs/dbraw/zinc/69/43/36/346694336.db2.gz OQYJPVBOOLQKOJ-LLVKDONJSA-N 0 0 257.333 3.226 10 0 CGAERN C[Si](C)(C)CCOCn1cnc2c1ccnc2Cl ZINC000584617221 346694508 /nfs/dbraw/zinc/69/45/08/346694508.db2.gz DESOHJJLLKXMAY-UHFFFAOYSA-N 0 0 283.835 3.397 10 0 CGAERN O[C@H]1c2ccccc2[C@@H](O)[C@@H]1c1ccc(Cl)cc1 ZINC000584618578 346694544 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293.407 3.072 10 0 CGAERN Cc1oc(C[N@@H+](C)C2(C)CCCC2)cc1C(=O)[O-] ZINC000720345716 978028726 /nfs/dbraw/zinc/02/87/26/978028726.db2.gz MRAAXAFYXMXCDV-UHFFFAOYSA-N 0 0 251.326 3.051 10 0 CGAERN CSCc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000725111742 978252967 /nfs/dbraw/zinc/25/29/67/978252967.db2.gz CWBNFLIMYAFECB-SWLSCSKDSA-N 0 0 293.432 3.092 10 0 CGAERN Cc1ccc([C@H](C)NCc2nccnc2C)cc1F ZINC000621340596 349501295 /nfs/dbraw/zinc/50/12/95/349501295.db2.gz KJZHEEQLWFHDPI-NSHDSACASA-N 0 0 259.328 3.083 10 0 CGAERN CSc1ncc(Br)cc1OC1CC1 ZINC000095733662 185022842 /nfs/dbraw/zinc/02/28/42/185022842.db2.gz KZLYVGXXTKWZIY-UHFFFAOYSA-N 0 0 260.156 3.107 10 0 CGAERN COCc1nc(Cl)cc(NCc2ccc(C)cc2)n1 ZINC000082509863 178076636 /nfs/dbraw/zinc/07/66/36/178076636.db2.gz IJQXKKLWSWUQKG-UHFFFAOYSA-N 0 0 277.755 3.197 10 0 CGAERN CCCCCCNc1cc(Cl)nc(COC)n1 ZINC000082509820 178076728 /nfs/dbraw/zinc/07/67/28/178076728.db2.gz YPEAWSZKKLTMGM-UHFFFAOYSA-N 0 0 257.765 3.269 10 0 CGAERN 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178434214 /nfs/dbraw/zinc/43/42/14/178434214.db2.gz FJMAQKHEUYDHRV-UHFFFAOYSA-N 0 0 257.721 3.251 10 0 CGAERN COC(=O)N(O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000096942039 185133979 /nfs/dbraw/zinc/13/39/79/185133979.db2.gz LIGULVTYUYIOTD-UHFFFAOYSA-N 0 0 255.273 3.220 10 0 CGAERN C/C=C\C=C/C(=O)Nc1cccc(NC(=O)CC)c1C ZINC000096997696 185149852 /nfs/dbraw/zinc/14/98/52/185149852.db2.gz DKYICBQDJYHRGL-JCVXZYQNSA-N 0 0 272.348 3.414 10 0 CGAERN CCC(CC)N(CC(C)C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000178561120 282175177 /nfs/dbraw/zinc/17/51/77/282175177.db2.gz BNZXGHGHVATLDE-DZGCQCFKSA-N 0 0 284.444 3.410 10 0 CGAERN CC[C@H](C)CN(CC)C(=O)N[C@@H]1COc2ccccc21 ZINC000178616786 529655663 /nfs/dbraw/zinc/65/56/63/529655663.db2.gz SCKMDZQHCISFRF-GXTWGEPZSA-N 0 0 276.380 3.198 10 0 CGAERN CCc1ccsc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128058256 529635479 /nfs/dbraw/zinc/63/54/79/529635479.db2.gz AAEUIZSHXORVHO-XJKSGUPXSA-N 0 0 293.432 3.078 10 0 CGAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@H]2CCCO2)cc1 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530024851 /nfs/dbraw/zinc/02/48/51/530024851.db2.gz FDVTTWXSQJABCK-UHFFFAOYSA-N 0 0 271.345 3.435 10 0 CGAERN CC[C@H](O)COc1ccc(C(C)=O)c2ccccc12 ZINC000002036811 344857369 /nfs/dbraw/zinc/85/73/69/344857369.db2.gz LCFHKDXZVPUSKH-LBPRGKRZSA-N 0 0 258.317 3.192 10 0 CGAERN CCOC(=O)c1cccc2c1C(=O)c1ccccc1-2 ZINC000003201004 344857971 /nfs/dbraw/zinc/85/79/71/344857971.db2.gz OWPFIGJSLUEKJW-UHFFFAOYSA-N 0 0 252.269 3.075 10 0 CGAERN CCOc1ccccc1OCc1ccc(C(N)=S)cc1 ZINC000005592576 344862393 /nfs/dbraw/zinc/86/23/93/344862393.db2.gz SJXSWQZHYLLVEE-UHFFFAOYSA-N 0 0 287.384 3.299 10 0 CGAERN COc1ccc(OC)c([C@H](C)NC(=O)N[C@H](C)C(C)C)c1 ZINC000022881334 344896642 /nfs/dbraw/zinc/89/66/42/344896642.db2.gz DQIYVMANNFZINX-NEPJUHHUSA-N 0 0 294.395 3.109 10 0 CGAERN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000027914833 344912630 /nfs/dbraw/zinc/91/26/30/344912630.db2.gz JQGYOMVMRLFXEJ-KCJUWKMLSA-N 0 0 288.174 3.291 10 0 CGAERN CCC(=O)c1ccc(OCC(C)=O)c2ccccc12 ZINC000033867640 344936657 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CC[C@H](N[C@H](C(=O)OC)C(C)C)c1ccc(C)cc1 ZINC000035346423 172138498 /nfs/dbraw/zinc/13/84/98/172138498.db2.gz HBRPVNDDGIEOOZ-GJZGRUSLSA-N 0 0 263.381 3.233 10 0 CGAERN CC[C@@H](C)Sc1cc2c(cc1N)CCC(=O)N2 ZINC000035356275 172147361 /nfs/dbraw/zinc/14/73/61/172147361.db2.gz LDDXFHDFBGQIFH-MRVPVSSYSA-N 0 0 250.367 3.044 10 0 CGAERN CC[C@@H](C)C(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035359276 172149934 /nfs/dbraw/zinc/14/99/34/172149934.db2.gz AEZOEBHBYZVOMG-SSDOTTSWSA-N 0 0 251.713 3.063 10 0 CGAERN COc1ccc(C(=O)c2ccco2)cc1Br ZINC000035369350 172160830 /nfs/dbraw/zinc/16/08/30/172160830.db2.gz UAHIBVFRWLUMKG-UHFFFAOYSA-N 0 0 281.105 3.282 10 0 CGAERN Cc1occc1C(=O)c1cc2c(cc1Cl)OCCO2 ZINC000035369560 172161421 /nfs/dbraw/zinc/16/14/21/172161421.db2.gz BQKQHINXPCVCMR-UHFFFAOYSA-N 0 0 278.691 3.244 10 0 CGAERN O=Cc1c(Oc2ccc(F)cc2)nc2ccccn21 ZINC000035433554 172202160 /nfs/dbraw/zinc/20/21/60/172202160.db2.gz HOUJENOUCSXYPH-UHFFFAOYSA-N 0 0 256.236 3.078 10 0 CGAERN CN[C@@H](c1ccccc1F)c1cc(F)ccc1F 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/nfs/dbraw/zinc/84/47/72/173844772.db2.gz LZLRQUCQRAMGNA-SNVBAGLBSA-N 0 0 267.756 3.016 10 0 CGAERN CCOc1ccc([C@H]([NH2+]Cc2ccccc2)C(=O)[O-])cc1 ZINC000037952434 173894328 /nfs/dbraw/zinc/89/43/28/173894328.db2.gz FVGPTZHSLBHQES-INIZCTEOSA-N 0 0 285.343 3.001 10 0 CGAERN CC[C@H](C)NC(=O)CCNc1nccc2sccc21 ZINC000037999137 173961400 /nfs/dbraw/zinc/96/14/00/173961400.db2.gz XYFRGRYDNAECEF-JTQLQIEISA-N 0 0 277.393 3.013 10 0 CGAERN CCc1c(C)[nH]c2ccc(OCC(F)(F)F)cc2c1=O ZINC000038005064 173967441 /nfs/dbraw/zinc/96/74/41/173967441.db2.gz OBLCYSFWIRLAJX-UHFFFAOYSA-N 0 0 285.265 3.340 10 0 CGAERN Cc1nccc(CN[C@@H]2CCSc3ccccc32)n1 ZINC000038037318 174037592 /nfs/dbraw/zinc/03/75/92/174037592.db2.gz ROOIDIPDQOFCGF-CQSZACIVSA-N 0 0 271.389 3.112 10 0 CGAERN O=Cc1cc(-c2ccc3c(c2)OCCO3)ccc1F ZINC000038069752 174081177 /nfs/dbraw/zinc/08/11/77/174081177.db2.gz KQOQAYLIFROJLU-UHFFFAOYSA-N 0 0 258.248 3.076 10 0 CGAERN CN(C(=O)Nc1cccc(F)c1)c1ccc(O)cc1 ZINC000038076480 174086822 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DUCBNXNTEFKHJE-UHFFFAOYSA-N 0 0 291.767 3.374 10 0 CGAERN CN(C)c1ncnc(Nc2cc(Cl)ccc2Cl)c1N ZINC000040723484 174386086 /nfs/dbraw/zinc/38/60/86/174386086.db2.gz UCDBMKJSWCJZLB-UHFFFAOYSA-N 0 0 298.177 3.175 10 0 CGAERN CN(c1ccccc1)c1ncnc(NC2CCCC2)c1N ZINC000040757904 174396699 /nfs/dbraw/zinc/39/66/99/174396699.db2.gz VZAJKTJTRJJRKD-UHFFFAOYSA-N 0 0 283.379 3.181 10 0 CGAERN CCOc1ncnc(Nc2cccc3ccc(C)nc32)c1N ZINC000040758694 174396754 /nfs/dbraw/zinc/39/67/54/174396754.db2.gz CYFCKHSTQOUKHE-UHFFFAOYSA-N 0 0 295.346 3.058 10 0 CGAERN O=C(CCCCO)Nc1cccc(Cl)c1Cl ZINC000041352874 174530956 /nfs/dbraw/zinc/53/09/56/174530956.db2.gz ICDSNFVWIVGVTI-UHFFFAOYSA-N 0 0 262.136 3.095 10 0 CGAERN O=C(CCCO)Nc1cc(C(F)(F)F)ccc1Cl ZINC000041438359 174552660 /nfs/dbraw/zinc/55/26/60/174552660.db2.gz PDBLVZQJWCGZSM-UHFFFAOYSA-N 0 0 281.661 3.070 10 0 CGAERN CCCCCN(c1ccc(C(N)=S)cn1)C(C)C ZINC000042551640 174790858 /nfs/dbraw/zinc/79/08/58/174790858.db2.gz WQYGNIDGFMEZTN-UHFFFAOYSA-N 0 0 265.426 3.121 10 0 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/nfs/dbraw/zinc/39/28/68/172392868.db2.gz ZSPZKIPIXLRXEB-NWDGAFQWSA-N 0 0 293.388 3.095 10 0 CGAERN COc1ccc(Br)cc1[C@H](O)C(C)C ZINC000036173077 172492773 /nfs/dbraw/zinc/49/27/73/172492773.db2.gz FHADHGDYMTXGOX-LLVKDONJSA-N 0 0 259.143 3.147 10 0 CGAERN Cc1n[nH]c(C)c1NC(=O)C1(c2ccccc2)CCC1 ZINC000036733692 172664717 /nfs/dbraw/zinc/66/47/17/172664717.db2.gz UDESGAPKNCZICU-UHFFFAOYSA-N 0 0 269.348 3.087 10 0 CGAERN CC(C)n1cc(N)cc1C(=O)N(C)C1CCCCC1 ZINC000036861146 172758404 /nfs/dbraw/zinc/75/84/04/172758404.db2.gz FLTBZWQBGQORFR-UHFFFAOYSA-N 0 0 263.385 3.056 10 0 CGAERN CCC(=O)Nc1ccc(Cl)c(NCc2csnn2)c1 ZINC000036942180 172817957 /nfs/dbraw/zinc/81/79/57/172817957.db2.gz YNWBKJIETMRZSW-UHFFFAOYSA-N 0 0 296.783 3.152 10 0 CGAERN C[C@H]1CCCC[C@@H]1n1c(N)cc2ccccc2c1=O ZINC000036946492 172822845 /nfs/dbraw/zinc/82/28/45/172822845.db2.gz HZFOLJLAXJKTDB-FZMZJTMJSA-N 0 0 256.349 3.335 10 0 CGAERN CC[C@@H](C)SCc1cc2c(cc1N)OCCO2 ZINC000037066054 172929450 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CGAERN COc1ccc(-c2n[nH]c(-c3ccc(OC)cc3)n2)cc1 ZINC000039192773 174165245 /nfs/dbraw/zinc/16/52/45/174165245.db2.gz ZNGIZFJRUCBBBH-UHFFFAOYSA-N 0 0 281.315 3.156 10 0 CGAERN COC(=O)c1ccc(OC(C)(C)C)c(Br)c1 ZINC000039951923 174176874 /nfs/dbraw/zinc/17/68/74/174176874.db2.gz UYPISJKXCYMMGV-UHFFFAOYSA-N 0 0 287.153 3.413 10 0 CGAERN O=C1CCc2cc([C@@H](O)c3ccc(Cl)cc3)ccc2N1 ZINC000040248504 174215766 /nfs/dbraw/zinc/21/57/66/174215766.db2.gz FHKQEPDLWGRATJ-INIZCTEOSA-N 0 0 287.746 3.306 10 0 CGAERN COc1ccc(F)cc1[C@H](O)c1ccccc1F ZINC000040258255 174216396 /nfs/dbraw/zinc/21/63/96/174216396.db2.gz VHALCASEROVDOU-CQSZACIVSA-N 0 0 250.244 3.055 10 0 CGAERN O=C1CCCc2cc([C@H](O)Cc3ccccc3)ccc2N1 ZINC000040261250 174216937 /nfs/dbraw/zinc/21/69/37/174216937.db2.gz QJOIWYBGLUWKKM-QGZVFWFLSA-N 0 0 281.355 3.238 10 0 CGAERN Cc1cc2nc(CCO)n(Cc3ccccc3)c2cc1C ZINC000040310662 174230567 /nfs/dbraw/zinc/23/05/67/174230567.db2.gz LENMZTNPLOBJDU-UHFFFAOYSA-N 0 0 280.371 3.236 10 0 CGAERN OCCCn1c2ccccc2nc1C1CCCCC1 ZINC000040389343 174251847 /nfs/dbraw/zinc/25/18/47/174251847.db2.gz BJZSZVUVVNOKDF-UHFFFAOYSA-N 0 0 258.365 3.466 10 0 CGAERN COCc1nc2ccc(Cl)cc2n1CC(C)C ZINC000040417724 174256037 /nfs/dbraw/zinc/25/60/37/174256037.db2.gz IDKTZWWERVOQQS-UHFFFAOYSA-N 0 0 252.745 3.492 10 0 CGAERN Nc1cnc(Nc2cc(Cl)ccc2Cl)nc1 ZINC000040455402 174267185 /nfs/dbraw/zinc/26/71/85/174267185.db2.gz UDUOAUGYDYDXCE-UHFFFAOYSA-N 0 0 255.108 3.109 10 0 CGAERN CCCNc1ncnc(Oc2ccc(C)c(C)c2)c1N ZINC000040707968 174380027 /nfs/dbraw/zinc/38/00/27/174380027.db2.gz ZEGTZBDDGLQRJC-UHFFFAOYSA-N 0 0 272.352 3.290 10 0 CGAERN CCCCCN(C)c1ncc(Br)cc1N ZINC000040713697 174382047 /nfs/dbraw/zinc/38/20/47/174382047.db2.gz ACOYJGPGEWPUPW-UHFFFAOYSA-N 0 0 272.190 3.053 10 0 CGAERN CCN(CC)c1ncnc(Oc2ccc(C)c(C)c2)c1N ZINC000040723370 174386200 /nfs/dbraw/zinc/38/62/00/174386200.db2.gz YLYBLQDSFXMZFH-UHFFFAOYSA-N 0 0 286.379 3.314 10 0 CGAERN Cc1ccccc1Nc1ncnc(N2CCCCCC2)c1N ZINC000040725503 174386927 /nfs/dbraw/zinc/38/69/27/174386927.db2.gz ZGJGSASVBLCCKG-UHFFFAOYSA-N 0 0 297.406 3.491 10 0 CGAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1cccnc1 ZINC000040759695 174396667 /nfs/dbraw/zinc/39/66/67/174396667.db2.gz DOBUDGBDJNKFMS-UHFFFAOYSA-N 0 0 296.309 3.080 10 0 CGAERN CCCCSc1nnc(NC(=O)C=C(C)C)s1 ZINC000041011561 174449090 /nfs/dbraw/zinc/44/90/90/174449090.db2.gz WNKRVTPKFOYXBZ-UHFFFAOYSA-N 0 0 271.411 3.335 10 0 CGAERN Cc1ccc(Oc2ccccc2Br)nn1 ZINC000041044994 174464188 /nfs/dbraw/zinc/46/41/88/174464188.db2.gz ZCBNNAAJTYDSHO-UHFFFAOYSA-N 0 0 265.110 3.340 10 0 CGAERN Cc1cc(C)cc(N(C)C(=O)c2cccc(N)c2)c1 ZINC000041324509 174521142 /nfs/dbraw/zinc/52/11/42/174521142.db2.gz RXGIPJDLDQUAAE-UHFFFAOYSA-N 0 0 254.333 3.162 10 0 CGAERN C[C@@H](CN(C)c1ccnc2cc(Cl)ccc21)C(N)=S ZINC000042458096 174749523 /nfs/dbraw/zinc/74/95/23/174749523.db2.gz LACQLOQFJRHKGC-VIFPVBQESA-N 0 0 293.823 3.247 10 0 CGAERN CCCCC[C@H](C)Nc1ccc(C(N)=S)cn1 ZINC000042573459 174801088 /nfs/dbraw/zinc/80/10/88/174801088.db2.gz NNUUAYOMNOXHSD-JTQLQIEISA-N 0 0 251.399 3.097 10 0 CGAERN COCCSCc1cc(Br)cs1 ZINC000043687777 175095022 /nfs/dbraw/zinc/09/50/22/175095022.db2.gz PTSTYYYVYUWLOX-UHFFFAOYSA-N 0 0 267.213 3.390 10 0 CGAERN CC(C)[C@@H](O)CCc1ccc(Br)s1 ZINC000043657930 175085741 /nfs/dbraw/zinc/08/57/41/175085741.db2.gz QBATYCKPTAXGES-VIFPVBQESA-N 0 0 263.200 3.460 10 0 CGAERN Cc1ccc([C@@H](C)n2ncc(Br)c2N)s1 ZINC000043666373 175086447 /nfs/dbraw/zinc/08/64/47/175086447.db2.gz CUABWEXQMUJSIC-SSDOTTSWSA-N 0 0 286.198 3.207 10 0 CGAERN CC[C@@H](c1cccs1)n1ncc(Br)c1N ZINC000043666503 175086519 /nfs/dbraw/zinc/08/65/19/175086519.db2.gz HNHHHUYFMYKZPJ-QMMMGPOBSA-N 0 0 286.198 3.289 10 0 CGAERN Brc1csc(COC2CCOCC2)c1 ZINC000043687703 175094866 /nfs/dbraw/zinc/09/48/66/175094866.db2.gz JSKROCUMCRZKNO-UHFFFAOYSA-N 0 0 277.183 3.206 10 0 CGAERN CCn1cc2c3c1cccc3CN(C(=O)c1ccco1)CC2 ZINC000065148603 175701322 /nfs/dbraw/zinc/70/13/22/175701322.db2.gz LJWMECZTFKPXNB-UHFFFAOYSA-N 0 0 294.354 3.453 10 0 CGAERN 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CC(C)c1ccoc1-c1noc(C[C@@H](C)n2cccn2)n1 ZINC000351318425 379710915 /nfs/dbraw/zinc/71/09/15/379710915.db2.gz YNRNWHPMEAIKOW-LLVKDONJSA-N 0 0 286.335 3.453 10 0 CGAERN Cc1ccc(C(=O)N2C[C@H]3CCCCC[C@H]32)c(O)c1 ZINC000378093012 379776294 /nfs/dbraw/zinc/77/62/94/379776294.db2.gz WWUCUZALKKGHKX-TZMCWYRMSA-N 0 0 259.349 3.105 10 0 CGAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCc3c[nH]nc32)CC(C)(C)C1 ZINC000378541206 379838439 /nfs/dbraw/zinc/83/84/39/379838439.db2.gz DZAHCRBFRSUSNJ-KWCYVHTRSA-N 0 0 289.423 3.366 10 0 CGAERN CCOC(=O)[C@@H]1[C@@H](C)C=C[C@@H](C)N1Cc1ccccc1 ZINC000396174952 379922571 /nfs/dbraw/zinc/92/25/71/379922571.db2.gz LENIHRXWROTYBP-LZWOXQAQSA-N 0 0 273.376 3.015 10 0 CGAERN CC1CCC(C)(NC(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000408167784 379996987 /nfs/dbraw/zinc/99/69/87/379996987.db2.gz CEDQFFCWRAZXPJ-ZTPJQAPRSA-N 0 0 296.455 3.458 10 0 CGAERN Cc1c(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccn1C ZINC000195034953 542278846 /nfs/dbraw/zinc/27/88/46/542278846.db2.gz 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CGAERN N[C@@H](c1ccc(Br)cc1F)C(F)(F)F ZINC000072195689 295295642 /nfs/dbraw/zinc/29/56/42/295295642.db2.gz OQBXDYQCPRZTNA-ZETCQYMHSA-N 0 0 272.039 3.150 10 0 CGAERN Cc1ccccc1[C@H](C)NC(=O)N1CCC[C@@H]1C(C)(C)O ZINC000185154869 542238781 /nfs/dbraw/zinc/23/87/81/542238781.db2.gz VLNAUNCNUFSAFK-DZGCQCFKSA-N 0 0 290.407 3.001 10 0 CGAERN CC(C)(C)[C@@H](O)CNc1ccnc2ccsc21 ZINC000266194648 190239291 /nfs/dbraw/zinc/23/92/91/190239291.db2.gz CDXNLBAJEFTGLG-NSHDSACASA-N 0 0 250.367 3.115 10 0 CGAERN Cc1nnc([C@H](C)Nc2ccncc2Br)s1 ZINC000274745881 378887818 /nfs/dbraw/zinc/88/78/18/378887818.db2.gz GOHBBHRZBRCMTP-LURJTMIESA-N 0 0 299.197 3.177 10 0 CGAERN O=C(c1csc2ccccc12)N1CCCC[C@@H](CO)C1 ZINC000370674762 379052074 /nfs/dbraw/zinc/05/20/74/379052074.db2.gz YEFIFDQKQWRPHP-GFCCVEGCSA-N 0 0 289.400 3.136 10 0 CGAERN Cc1cc(C)n([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000377921910 379758827 /nfs/dbraw/zinc/75/88/27/379758827.db2.gz WNLLAELXDNTWLO-CYBMUJFWSA-N 0 0 279.384 3.072 10 0 CGAERN CC[C@H](NC(=O)c1occc1Br)C(C)C ZINC000267522306 190335553 /nfs/dbraw/zinc/33/55/53/190335553.db2.gz GTLHFFANHOLQEA-VIFPVBQESA-N 0 0 274.158 3.207 10 0 CGAERN Cc1ccc([C@@H]2CCCN2C(=O)CC[C@H]2CCOC2)o1 ZINC000267570565 190338227 /nfs/dbraw/zinc/33/82/27/190338227.db2.gz NOWNLPQNLPKPAY-KBPBESRZSA-N 0 0 277.364 3.068 10 0 CGAERN C[C@H]1CC[C@H](NC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000408104480 379993358 /nfs/dbraw/zinc/99/33/58/379993358.db2.gz QDIKUHNDZAQIPK-YDHLFZDLSA-N 0 0 288.391 3.388 10 0 CGAERN C[C@H](OCc1ccccc1)C(=O)Nc1cccc2c1CCN2 ZINC000644077390 380414515 /nfs/dbraw/zinc/41/45/15/380414515.db2.gz AVNRMPAOINPPDW-ZDUSSCGKSA-N 0 0 296.370 3.198 10 0 CGAERN Cc1noc2ncnc(N[C@H](C)c3ccc(F)c(F)c3)c12 ZINC000195505970 542281429 /nfs/dbraw/zinc/28/14/29/542281429.db2.gz RMVNHJBRZQJYOZ-SSDOTTSWSA-N 0 0 290.273 3.378 10 0 CGAERN Cc1ccc([C@H](C)Nc2ncnc3onc(C)c32)o1 ZINC000195506341 542281971 /nfs/dbraw/zinc/28/19/71/542281971.db2.gz XGWQQONJUMSOLP-QMMMGPOBSA-N 0 0 258.281 3.001 10 0 CGAERN O=C(c1coc(Br)c1)N1CC[C@H]2CCC[C@H]21 ZINC000334809751 207113193 /nfs/dbraw/zinc/11/31/93/207113193.db2.gz YTQGZDMDFXKPBR-PSASIEDQSA-N 0 0 284.153 3.057 10 0 CGAERN C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000230057215 542302126 /nfs/dbraw/zinc/30/21/26/542302126.db2.gz CJVDJYFJNJSXNN-BXUZGUMPSA-N 0 0 269.348 3.451 10 0 CGAERN Nc1cccc2c1ccn2COCc1ccccc1 ZINC000230079252 542303278 /nfs/dbraw/zinc/30/32/78/542303278.db2.gz LRUWSZYZYKZUJD-UHFFFAOYSA-N 0 0 252.317 3.398 10 0 CGAERN Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1C ZINC000235842623 542313759 /nfs/dbraw/zinc/31/37/59/542313759.db2.gz FJBJDEGZDQEGOI-GDBMZVCRSA-N 0 0 275.392 3.345 10 0 CGAERN CCCc1nn2c(c1Br)NCC[C@@H]2C1CC1 ZINC000233374976 542307804 /nfs/dbraw/zinc/30/78/04/542307804.db2.gz WNYKUIBVPSFNOM-SNVBAGLBSA-N 0 0 284.201 3.365 10 0 CGAERN CCc1nn2c(c1Br)NC[C@@H]1CCCC[C@@H]12 ZINC000234190150 542309194 /nfs/dbraw/zinc/30/91/94/542309194.db2.gz BCLCDBWCEOSMPG-WPRPVWTQSA-N 0 0 284.201 3.365 10 0 CGAERN CC(C)[C@H]1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2CO)CC1 ZINC000248043908 542332740 /nfs/dbraw/zinc/33/27/40/542332740.db2.gz MMAPMCVBMUSGQA-VGWMRTNUSA-N 0 0 281.440 3.116 10 0 CGAERN Cc1ccc([C@H](C)NCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000248401328 542334560 /nfs/dbraw/zinc/33/45/60/542334560.db2.gz LUYJCOCSUNNJNT-PMOUVXMZSA-N 0 0 292.423 3.180 10 0 CGAERN Cc1cccc(C(=O)NC(=S)N2CCc3ccccc32)c1 ZINC000000486367 169654479 /nfs/dbraw/zinc/65/44/79/169654479.db2.gz MZADMQOOVXPXFA-UHFFFAOYSA-N 0 0 296.395 3.072 10 0 CGAERN O=C(NCCc1cccc(Cl)c1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250118298 542342036 /nfs/dbraw/zinc/34/20/36/542342036.db2.gz PBQNEVDGACHBMA-CLLJXQQHSA-N 0 0 263.768 3.045 10 0 CGAERN O=C1NCCc2c(N[C@@H]3CCCc4occc43)cccc21 ZINC000333912124 296377765 /nfs/dbraw/zinc/37/77/65/296377765.db2.gz FIMMBYMFRUPFPC-OAHLLOKOSA-N 0 0 282.343 3.055 10 0 CGAERN CC(C)(C)OC(=O)N1CC(=Cc2ccc(F)cc2)C1 ZINC000309699740 542425830 /nfs/dbraw/zinc/42/58/30/542425830.db2.gz ABHCGDQUZISJLU-UHFFFAOYSA-N 0 0 263.312 3.460 10 0 CGAERN C1CCC(c2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)CC1 ZINC000329747118 542448253 /nfs/dbraw/zinc/44/82/53/542448253.db2.gz ZDWXFULEQWXSFV-KBPBESRZSA-N 0 0 291.395 3.043 10 0 CGAERN C[C@@H]1OCCC[C@H]1c1nc(-c2ccc3c(c2)CC(=O)N3)no1 ZINC000329750005 542448271 /nfs/dbraw/zinc/44/82/71/542448271.db2.gz HVSAVFYCPYMPLB-JOYOIKCWSA-N 0 0 299.330 3.163 10 0 CGAERN C1C[C@@H]2CO[C@H](c3noc(C4CCCCCC4)n3)CN2C1 ZINC000329686678 542448688 /nfs/dbraw/zinc/44/86/88/542448688.db2.gz FSYUIOQNEIQPFJ-KGLIPLIRSA-N 0 0 291.395 3.043 10 0 CGAERN O=C([O-])[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000008698819 260032926 /nfs/dbraw/zinc/03/29/26/260032926.db2.gz AQJXKQGZUBMCGK-CHWSQXEVSA-N 0 0 267.756 3.073 10 0 CGAERN Cc1cc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)nc(C(C)C)n1 ZINC000091861282 224533742 /nfs/dbraw/zinc/53/37/42/224533742.db2.gz QKJXQGDUPXCPHI-RYUDHWBXSA-N 0 0 291.395 3.051 10 0 CGAERN CC(C)c1cccc(NC(=O)N(C)CC2CC(O)C2)c1 ZINC000189690096 130009607 /nfs/dbraw/zinc/00/96/07/130009607.db2.gz SEDVOSNAXXAIJS-UHFFFAOYSA-N 0 0 276.380 3.045 10 0 CGAERN CCCCc1ccc(C(=O)N2CCC[C@H](O)[C@H]2C)cc1 ZINC000384966627 542602427 /nfs/dbraw/zinc/60/24/27/542602427.db2.gz HXVBKYMDJSWFDN-CJNGLKHVSA-N 0 0 275.392 3.015 10 0 CGAERN O=C(NCCCCOCc1ccccc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000390519793 542611231 /nfs/dbraw/zinc/61/12/31/542611231.db2.gz FAEBOQDIYZKBEM-BJWYYQGGSA-N 0 0 287.403 3.146 10 0 CGAERN Cc1ccc2nc(NC(=O)[C@H]3CCCO[C@@H]3C)sc2c1 ZINC000191190918 130200283 /nfs/dbraw/zinc/20/02/83/130200283.db2.gz NZOCJDKVRZJXBS-MNOVXSKESA-N 0 0 290.388 3.358 10 0 CGAERN C[C@@H]1OCCC[C@@H]1c1nc(COc2ccc(F)cc2)no1 ZINC000191325571 130222063 /nfs/dbraw/zinc/22/20/63/130222063.db2.gz LWNWUHPPDRHIQF-GWCFXTLKSA-N 0 0 292.310 3.070 10 0 CGAERN C[C@@H](C(=O)CCC1CC1)N(C)C(=O)OC(C)(C)C ZINC000405474629 542624783 /nfs/dbraw/zinc/62/47/83/542624783.db2.gz JFNDCFYEHZNYRC-JTQLQIEISA-N 0 0 255.358 3.001 10 0 CGAERN CCCC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000405601257 542626724 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345002147 /nfs/dbraw/zinc/00/21/47/345002147.db2.gz WBBQLNHGQFDVLW-UHFFFAOYSA-N 0 0 251.079 3.273 10 0 CGAERN C[C@H](Cc1ccc(F)cc1Br)[C@H](C)O ZINC000043658663 345003440 /nfs/dbraw/zinc/00/34/40/345003440.db2.gz JJGHOPFOFJKUET-SFYZADRCSA-N 0 0 261.134 3.148 10 0 CGAERN COc1cccc(C(=O)COCc2ccccc2)c1 ZINC000050159278 345078145 /nfs/dbraw/zinc/07/81/45/345078145.db2.gz SPVPTUFDYFUHND-UHFFFAOYSA-N 0 0 256.301 3.095 10 0 CGAERN CNc1ccnc2c(C)cc(Br)cc12 ZINC000050843673 345085371 /nfs/dbraw/zinc/08/53/71/345085371.db2.gz BZKVJXAMHDNCBJ-UHFFFAOYSA-N 0 0 251.127 3.347 10 0 CGAERN COC[C@@H](C)Nc1ccc(Br)cc1F ZINC000053172110 345115838 /nfs/dbraw/zinc/11/58/38/345115838.db2.gz GUTQUADKADZDBW-SSDOTTSWSA-N 0 0 262.122 3.035 10 0 CGAERN Cc1ccc([C@@H](C)NC(=O)N(C)C(C2CC2)C2CC2)o1 ZINC000051276528 345088350 /nfs/dbraw/zinc/08/83/50/345088350.db2.gz PWXLQGCKRCQRMR-LLVKDONJSA-N 0 0 276.380 3.479 10 0 CGAERN C[C@@H]1CN(Cc2coc(-c3cccs3)n2)C[C@@H](C)O1 ZINC000061744184 345231687 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345269799 /nfs/dbraw/zinc/26/97/99/345269799.db2.gz JNGPWQZQVPMALQ-UHFFFAOYSA-N 0 0 285.391 3.463 10 0 CGAERN Clc1nccc(Oc2cncc(Br)c2)n1 ZINC000070043542 345387733 /nfs/dbraw/zinc/38/77/33/345387733.db2.gz DCOQURSSPRSJNE-UHFFFAOYSA-N 0 0 286.516 3.080 10 0 CGAERN O[C@@H](c1ccoc1)c1cccc(Br)c1 ZINC000068979108 345368782 /nfs/dbraw/zinc/36/87/82/345368782.db2.gz MEPBSQLTKFVENT-LLVKDONJSA-N 0 0 253.095 3.124 10 0 CGAERN O=C(Cc1ccccc1)c1occc1Br ZINC000068981670 345369945 /nfs/dbraw/zinc/36/99/45/345369945.db2.gz RKJNYNOGQASOLI-UHFFFAOYSA-N 0 0 265.106 3.468 10 0 CGAERN NC1=NC(=O)SC1=Cc1ccc(Br)cc1 ZINC000072414692 345409991 /nfs/dbraw/zinc/40/99/91/345409991.db2.gz RKMOVMLVZHRECT-YVMONPNESA-N 0 0 283.150 3.014 10 0 CGAERN Cn1c(Cl)cnc1CN1CCC[C@H]1c1ccco1 ZINC000116289518 232183622 /nfs/dbraw/zinc/18/36/22/232183622.db2.gz YBPHTZUXJYXXCB-JTQLQIEISA-N 0 0 265.744 3.004 10 0 CGAERN CC[C@]12OC[C@H](c3ccccc3)N1C(=O)c1ccccc12 ZINC000070453665 345391294 /nfs/dbraw/zinc/39/12/94/345391294.db2.gz 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